!-------------------------------------------NUIGMech1.3-August 2022-----------------------------------------------------!
!
!NUIGMech1.3 Developed over NUIGMech1.2 and Published first in citation #1 below. Please cite all papers below when referencing it.
!
!For Hydrogen/methane blend cite reference #2
!For Propane/NOx blend cite reference #1
!For 1-butyne and 2-butyne please cite reference #3 and #4
!For 1,3-butadiene please cite reference #5
!
! Paper to be cited
!1. A. A. El-Sabor. Mohamed, A. B. Sahu, S. Panigrahy, M. Baigmohammadi, G. Bourque, H. Curran, The effect of the addition of nitrogen oxides on the oxidation of propane: An experimental and modeling study, CNF
!2. S. Panigrahy, A. A. El-Sabor. Mohamed, P. Wang, G. Bourque,H. J. Curran, When hydrogen is slower than methane to ignite, Proc. Combust. Inst.
!3. H. Lu, S. Dong, F. Liu, S.S. Nagaraja, N. Lindblade, M.A. Turner, O. Mathieu, E.L. Petersen, J. Caravaca Vilchez, K.A. Heufer, G. Xu, S.M. Sarathy, H.J. Curran, A wide-range experimental and kinetic modeling study of the pyrolysis and oxidation of 1-butyne, Proc. Combust. Inst.
!4. H. Lu, F. Liu,S.S. Nagaraja, S. Dong,M.A. Turner, O. Mathieu, E.L. Petersen, J. Caravaca Vilchez, K.A. Heufer, G. Xu, S.M. Sarathy, H.J. Curran, A wide-range experimental and kinetic modeling study of the pyrolysis and oxidation of 2-butyne, Proc. Combust. Inst.
!5. S. Dong, B. Wang, Z. Jiang, X. Cheng, B. Liu, H. Wang, Z. Wang,CW. Zhou, H. Curran, On the lowtemperature chemistry of 1,3-butadiene, Proc. Combust. Inst.
!
!-------------------------------------------NUIGMech1.3-August 2022-----------------------------------------------------!
!
!-----------------------------------------------------------------------------------------------------------------------
!
!------------------------------------------------WARNING----------------------------------------------------------------
!
!-----------------------------------------For H+O2(+M) reaction---------------------------------------------------------!
!For Ansys 18.1 and later versions users, the format below works to avoid convergence issues
!H+O2(+M)=HO2(+M)                                +4.66000000E+012 +4.40000000E-001 +0.00000000E+000 !\Author: SP !\Ref: TROE _ 2000 / PCCP FERNANDES 2008
!LOWMX /                                             +1.22500000E+019 -1.20000000E+000 +0.00000000E+000/!\Author: SP !\Ref:Shao et al. Proc. Comb. Inst. 37,(2019):145-152.
!TROEMX /                                          +5.00E-01	1.00E+00	1.00E+10	1.00E+30 / 
!LOWSP / N2                                        +4.50E+20	-1.73E+00	0.00E+00/ !\Author: SP !\Ref: Lu, Z. 2020. Hydrogen oxidation near the second explosion limit in a flow reactor
!TROESP /  N2                                      +5.00E-01	1.00E+00	1.00E+10	1.00E+30 /
!N2 / +1.0 / HE / +0.5700 / AR / +0.65 / O2 / 1.0 / H2 / +2.00 / CH4 / +2.0000 / CO2 / +3.2500 / H2O / +17.6000 / CO / 4.0/ 
!-------------------------------------------------------------------------------------------------------------------------------------
!For Cantera versions < 2.6 (Please do not use with Cantera2.6) and Converge users, the format below works  
!H+O2(+M)=HO2(+M)                                +4.66000000E+012 +4.40000000E-001 +0.00000000E+000 !\Author: SP !\Ref: TROE _ 2000 / PCCP FERNANDES 2008
!LOW /                                             +1.22500000E+019 -1.20000000E+000 +0.00000000E+000/!\Author: SP !\Ref:Shao et al. Proc. Comb. Inst. 37,(2019):145-152.
!TROE /                                          +5.00E-01	1.00E+00	1.00E+10	1.00E+30 / 
!HE / +0.5700 / AR / +0.65 / N2 / +0.0 / O2 / 1.0 / H2 / +2.00 / CH4 / +2.0000 / CO2 / +3.2500 / H2O / +17.6000 / CO / 4.0/
!!CO / 4.0 / CHANGED TO IMPROVE SYNGAS IDT, CHECK H2O TO INCREASE LEAN FS CONDITION DECREASE IT
!
!
!H+O2(+N2)=HO2(+N2)                                  +4.66000000E+012 +4.40000000E-001 +0.00000000E+000 !\Author: SP !\Ref: TROE _ 2000 / PCCP FERNANDES 2008
!LOW /                                           +4.50E+20	-1.73E+00	0.00E+00/ !\Author: SP !\Ref: Lu, Z. 2020. Hydrogen oxidation near the second explosion limit in a flow reactor
!TROE /                                          +5.00E-01	1.00E+00	1.00E+10	1.00E+30 /
!-------------------------------------------------------------------------------------------------------------------------------------
!WARNING
!WARNING
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++


!\START_ELEMENTS_LIST
ELEMENTS
C
H
N
O
AR
HE
END  
!\END_ELEMENTS_LIST
!\START_SPECIES_LIST
SPECIES
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\SPECIES_MODULE: DILUENTS
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!------------------------------------------------------------------------------
!\SUBMECH: UNDEFINED
!------------------------------------------------------------------------------
!\UNDEFINED
AR
N2
HE
!------------------------------------------------------------------------------
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\END_SPECIES_MODULE: DILUENTS
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\SPECIES_MODULE: H2_O2
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!------------------------------------------------------------------------------
!\SUBMECH: H2
!------------------------------------------------------------------------------
!\PYROSPEC
H2
H
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: O2
!------------------------------------------------------------------------------
!\PYROSPEC
O2
O
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: H2O
!------------------------------------------------------------------------------
!\PYROSPEC
H2O
OH
OHV
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: H2O2
!------------------------------------------------------------------------------
!\PYROSPEC
H2O2
HO2
!------------------------------------------------------------------------------
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\END_SPECIES_MODULE: H2_O2
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\SPECIES_MODULE: C1
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!------------------------------------------------------------------------------
!\SUBMECH: CO
!------------------------------------------------------------------------------
!\HTOXID
HOCO
!\PYROSPEC
CO
CO2
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: CH4
!------------------------------------------------------------------------------
!\LTOXID
CH3O2H
CH3O2
CH2O2H
!\PYROSPEC
CH4
CH3
CH2
CH2(S)
C
CH
CHV
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: CH3OH
!------------------------------------------------------------------------------
!\PYROSPEC
CH3OH
CH3O
CH2OH
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: CH2O
!------------------------------------------------------------------------------
!\LTOXID
HO2CHO
HOCH2O2H
HOCH2O2
OCH2O2H
HOCH2O
O2CHO
HOCHO
OCHO
!\PYROSPEC
CH2O
HCO
HCOH
C3H6O3
!------------------------------------------------------------------------------
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\END_SPECIES_MODULE: C1
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\SPECIES_MODULE: C2
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!------------------------------------------------------------------------------
!\SUBMECH: C2H6
!------------------------------------------------------------------------------
!\LTOXID
C2H5O2H
C2H5O2
!\PYROSPEC
C2H6
C2H5
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: C2H4
!------------------------------------------------------------------------------
!\HTOXID
CHOCHO
C2H3OOH
C2H3OO
CHCHO
!\PYROSPEC
C2H4
C2H3
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: C2H2
!------------------------------------------------------------------------------
!\HTOXID
C2O
!\PYROSPEC
C2H2
C2H
H2CC
C2
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: C2H5OH
!------------------------------------------------------------------------------
!\LTOXID
O2C2H4OH
C2H4O2H
C2H4O1-2
C2H3O1-2
!\PYROSPEC
C2H5OH
C2H5O
PC2H4OH
SC2H4OH
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: CH3CHO
!------------------------------------------------------------------------------
!\LTOXID
O2CH2CHO
HO2CH2CO
CH2CO2

CH3CHOHOJ   !C([O])(O)C, InChI=1S/C2H5O2/c1-2(3)4/h2-3H,1H3

!\PYROSPEC
CH3CHO
CH3CO
CH2CHO
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: C2H3OH
!------------------------------------------------------------------------------
!\LTOXID
CH2COHCO
!\PYROSPEC
C2H3OH
C2H2OH
SC2H2OH
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: CH2CO
!------------------------------------------------------------------------------
!\PYROSPEC
CH2CO
HCCO
HCCOH
CH2COOH
CH3CCO
CH3COH
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: ACID
!------------------------------------------------------------------------------
!\PYROSPEC
CH3CO3H
CH3CO3
CH3CO2
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: CH3OCH3
!------------------------------------------------------------------------------
!\LTOXID
CH3OCH2O2H
CH3OCH2O2
CH2OCH2O2H
O2CH2OCH2O2H
HO2CH2OCHO
OCH2OCHO
HOCH2OCO
!DONG 0423!CH3OCH2OH
CH3OCH2O
!\PYROSPEC
CH3OCH3
CH3OCH2
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: CH3OCHO
!------------------------------------------------------------------------------
!\PYROSPEC
CH3OCHO
CH3OCO
CH2OCHO
!------------------------------------------------------------------------------
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\END_SPECIES_MODULE: C2
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\SPECIES_MODULE: C3
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!------------------------------------------------------------------------------
!\SUBMECH: C3H8
!------------------------------------------------------------------------------
!\HTOXID
CH3COCH
CH2COCH2
CH3CCHO
CH2CCO
!\LTOXID
NC3H7O2H
NC3H7O2
IC3H7O2H
IC3H7O2
C3H6OOH1-2
C3H6OOH1-3
C3H6OOH2-1
C3H6OOH1-2O2
C3H6OOH1-3O2
C3H6OOH2-1O2
C3KET12
C3KET13
C3H51-2,3OOH
C3H5O1-2OOH-3
C3H6O1-2
C3H6O1-3
C3H5-SOOH
SC3H5OO
TC3H5OO
CH3COCHO
CH2CHOCHO
OCHCH2CH2O
CH2CHOCO
C3H52-1,3OOH
!\PYROSPEC
C3H8
IC3H7
NC3H7
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: C3H6
!------------------------------------------------------------------------------
!\HTOXID
CH3CHCHO
CH3CHCO
C3H5O
CH2CHOCH2
CH2OOHCHCO  !O=C=CCOO
CH2OCHCO    !C([O])C=C=O, InChI=1S/C3H3O2/c4-2-1-3-5/h1H,2H2
!\LTOXID
AC4H7OOH
AC3H5OOH
!\PYROSPEC
C3H6
C3H5-A
C3H5-S
C3H5-T
CC3H6
CC3H5
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: C3H4-AC3H4-P
!------------------------------------------------------------------------------
!\HTOXID
PC3H4OH-1
PC3H4OH-2
SC3H4OH
C3H3O
!C3H4O
!\LTOXID
C3H3O2H
C2HCHO
C3H5O31
C3H5O32
CH2CCH2OOH
CH2CHCH2OO
CH2COOHCHO
CH2COCHO
CH2COOHCH2OO
CH2COOCH2OOH
CH2COOHCH2OOH
CH2COOHCH2
C3H4O21-2 
CH2COOHCHOH
!\PYROSPEC
C3H4-P
C3H4-A
C3H3
CC3H4
C3H2
H2CCC(S)
C3H2(S)
C3H2C
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: NC3H7OH
!------------------------------------------------------------------------------
!\LTOXID
C3H6OH-1O2
C3H6OH-3O2
!HOC3H6O2
C3H6OH-3OOH-1
C3H6OH-3OOH-1O2
C3OHKET3-1

TQJC3H6OH
TQC3H6OI
QC3H5OHP
TQC3H5OHI
QC3H5OHPO2
C3H4OHOOH1-3-2
C3H4OH1KT2-3
C(OH)CY(COC)
CCY(COC)OH
CY(COC)COH
IQJC3H6OH
IQC3H6OT
IQC3H5OHPJ
IQC3H5OHPJC
CY(CCOC)OH
CHOCOHCH3
TQC3H5OHIO2
TQC3H5OHIQ-I
TQC3H5OHIQ-P
C2H3COHOOH
COHOOHCY(COC)
OHCY(COCC)OOH
IQC3H5OHPJO2
IQC3H5OTQ-I
IQC3H5OHQ-SJ
CHOCOHCH2OOH
TQC3H5OHTO2
OHCOCOOHCH3
HO2CH2CHO
CJCYCCO
CCYCCJO
CH3OCHCH2
!\PYROSPEC
NC3H7OH
C3H6OH1-1
C3H6OH1-2
C3H6OH1-3
NC3H7O
C3H5OH
SC3H5OH
CH2CCH2OH
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: IC3H7OH
!------------------------------------------------------------------------------
!\PYROSPEC
IC3H7OH
C3H6OH2-1
TC3H6OH
IC3H7O
IC3H5OH
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: CH3COCH3
!------------------------------------------------------------------------------
!\LTOXID
CH3COCH2O2
CH3COCH2O
C3KET21
!\PYROSPEC
CH3COCH3
CH3COCH2
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: C2H3CHO
!------------------------------------------------------------------------------
!\PYROSPEC
C2H3CHO
C2H3CO

C3H4OH1-OO3
CH2OHCHCHO  !C(O)[CH]C(=O)	InChI=1S/C3H5O2/c4-2-1-3-5/h1-2,5H,3H2
CH2OHCH(OO)CHO  !C(O)C(O[O])C(=O)	InChI=1S/C3H5O4/c4-1-3(2-5)7-6/h1,3,5H,2H2
CH2OHCH(OOH)CO  !C(O)C(OO)[C](=O)	InChI=1S/C3H5O4/c4-1-3(2-5)7-6/h3-4,6H,1H2
CH2OCH(OOH)CHO  !C([O])C(OO)C(=O), InChI=1S/C3H5O4/c4-1-3(2-5)7-6/h1,3,6H,2H2

C2H3CHOHOJ !C=CC([O])(O), InChI=1S/C3H6O2/c1-2-3(4)5/h2-5H,1H2
C2H3COOH !C=CC(=O)(O), InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)

!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: C2H5CHO
!------------------------------------------------------------------------------
!\LTOXID
QCH3CHCO3H
CH3#CHCOO#
QCH2CH2CO3H
CCH2COOCH2#
!O2CH2CH2CO3H
!C2H5CO2
!CH3CH(OO)CO3H
!CH2CH(OOH)CO3H
!KCH3COCO3H
!HO2CH2CH2CO3
!cCH2OCH#CO3H
!CH3CH(OOH)CO3
!KCHOCH2CO3H
CH3CH(OO)CHO
!QCH2CH(OOH)CHO
QCH3CH(OOH)CO
!O2CH2CH(OOH)CHO
!KHO2CH2COCHO
!HO2CH2CH(OOH)CO
!HO2CH2cCHOCO#
!HO2CH2CH(OO)CHO
!HCOCH(OOH)CHO
O2CH2CH2CHO
QHO2CH2CH2CO
QHO2CH2CHCHO
CCY(CCOO)
CY(CCCOO)
CY(CCO)CO
CYC2H3OCHO
!\PYROSPEC
C2H5CHO
C2H5CO
CH2CH2CHO
CH2CHCHOH
CH3C(OH)CH
!------------------------------------------------------------------------------
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\END_SPECIES_MODULE: C3
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\SPECIES_MODULE: C4
!\MODCOMMENTS: IC3H5Q /CH3COCHO ARE(?) C3 SPECIES BUT ARE UNIQUE TO I-C4H8 SO IS INCLUDED IN C4 MODULE
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!------------------------------------------------------------------------------
!\SUBMECH: C4H10
!------------------------------------------------------------------------------
!\HTOXID
PC4H9O
SC4H9O
!\LTOXID
PC4H9O2
SC4H9O2
PC4H9O2H
SC4H9O2H
C4H8OOH1-2
C4H8OOH1-3
C4H8OOH1-4
C4H8OOH2-1
C4H8OOH2-3
C4H8OOH2-4
C4H8O1-2
C4H8O1-3
C4H8O1-4
C4H8O2-3
C4H8OOH1-2O2
C4H8OOH1-3O2
C4H8OOH1-4O2
C4H8OOH2-1O2
C4H8OOH2-3O2
C4H8OOH2-4O2
C4H71-2,4OOH
C4H72-1,3OOH
C4H72-1,4OOH
C4H71-2,3OOH
C4H7O1-3OOH-4
C4H7O1-3OOH-2
C4H7O1-2OOH-4
C4H7O1-4OOH-2
C4H7O1-2OOH-3
C4H7O2-3OOH-1
C4H72-1OOH
NC4KET12
NC4KET13
NC4KET14
NC4KET21
NC4KET23
NC4KET24
C4H71-3OOH
C4H71-4OOH
C4H71-3,4OOH
C4H72-3,4OOH
C4H71-O
!\PYROSPEC
C4H10
PC4H9
SC4H9
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: IC4H10
!------------------------------------------------------------------------------
!\HTOXID
TC4H9O
IC4H9O
IC3H7CHO
SC4H7OH-I
SC4H7OH-IP
SC4H7OOH-I
SC4H7O-I
IC4H6OH
IC3H7CO
IC3H6CHO
TC3H6CHO
IC3H5CHO
IC3H6CO
IC3H5CO
IC3H4CHO-A
!\LTOXID
IC4H8O
TC3H6O2HCO
TC3H6OCHO
IC4H9O2
TC4H9O2
IC4H8O2H-I
IC4H8O2H-T
TC4H8O2H-I
CC4H8O
IC4H8OOH-IO2
IC4H8OOH-TO2
TC4H8OOH-IO2
IC4KETII
IC4KETIT
TIC4H7Q2-I
IIC4H7Q2-I
IIC4H7Q2-T
IC4H7OOH
IC4H9O2H
TC4H9O2H
!\PYROSPEC
IC4H10
IC4H9
TC4H9
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: IC4H8
!------------------------------------------------------------------------------
!\LTOXID
IC4H7O2
IC4H6OOH-I
CCYCCOOC-T1
C2CYCOOC-I1
CCYCCOOC-I2
IC3H5OOCH2
CHOIC3H6O
CVCYCCOC
CCYC2OCO
CCYCCO-T1
IC4H7O
IC4H7-I1OO
IC4H7O-1
IC4H7CO
IC4H7CHO-A
IC4YAA
IC4YAA-R
OVCC(VC)COOH
OVCC(VC)COJ
CVC(COOJ)COOH
IC4QA-AOJ
C4H5-2C2H
CHCCH2CH2CHCH2
CH2CCHCH2CHCH2
!\PYROSPEC
IC4H8
IC4H7
IC4H7-I1
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: C4H8-1
!------------------------------------------------------------------------------
!\LTOXID
SC3H5CHO
SC3H5CO
AC3H5OCH2
C4H7O1-4
C4H7O2-1
SC3H5OCH2-1
C4H71-1O2
C4H71-2O2
C4H71-3O2
C4H72-1O2
C4H71-4O2

!DONG 0504
C4H72OO1-3  !C(OO1)[CH]C1C	InChI=1S/C4H7O2/c1-4-2-3-5-6-4/h2,4H,3H2,1H3
C4H71OO2-3  ![CH2]C(OO1)C1C	InChI=1S/C4H7O2/c1-3-4(2)6-5-3/h3-4H,1H2,2H3
C4H7O2-3O-1  !C([O])C(O1)C1C	InChI=1S/C4H7O2/c1-3-4(2-5)6-3/h3-4H,2H2,1H3
C4H7O1-2O-3  !C(O1)C1C([O])C	InChI=1S/C4H7O2/c1-3(5)4-2-6-4/h3-4H,2H2,1H3

C4H72OO1-4  !C(OO1)[CH]CC1	InChI=1S/C4H7O2/c1-2-4-6-5-3-1/h1H,2-4H2
C4H71OO2-4  ![CH2]C(OO1)CC1	InChI=1S/C4H7O2/c1-4-2-3-5-6-4/h4H,1-3H2
C4H7O1-2O-4  !C1C(O1)CC([O])	InChI=1S/C4H7O2/c5-2-1-4-3-6-4/h4H,1-3H2

C4H61OOH4-3O2
C4H61KET43
C4H61KET43O
C4H61-3OOH4

C4H61-3,4OOH  !C=CC(OO)C(OO)	InChI=1S/C4H8O4/c1-2-4(8-6)3-7-5/h2,4-6H,1,3H2
C4H61KET34  !C=CC(=O)C(OO)	InChI=1S/C4H6O3/c1-2-4(5)3-7-6/h2,6H,1,3H2

C4H6O1-3OOH4
!\PYROSPEC
C4H8-1
C4H71-1
C4H71-2
C4H71-3
C4H71-4
C4H6-1
!C4H5-1
C4H5-3
C3H4O1-2
C4H5-4
C2HCOCH3
C2H5CCO
CH3C3H2O
C2H5CCHOH
C2H5CCHO
C2H5COCH
C2H4COCH2
C2H5COCHO
C4H612OOH
C4H5O1-4
C4H5-4O2H
C4H5-4O2
C2H5COHCH
C2H5COH
CH3CHCCO
!DONG 220428, Inert Species!CH2COHCHOCH3
C4H6OHOOH1-1-3
CH3CHOCHCHOH
CH3COCHCHOH
C4H6OHOOH2-2-4
CH3COHCHCH2O
CH2COHCHCHO
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: C4H8-2
!------------------------------------------------------------------------------
!\LTOXID
C4H72-2O2
!\PYROSPEC
C4H8-2
C4H72-2
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: SC4H9OH
!------------------------------------------------------------------------------
!\LTOXID
SC4H8OH-1O2
SC4H8OH-3O2
PQC4H8OS
PQC4H7OHS-3
SQC4H7OHS-4
SQC4H8OS
NC4KET12OH
NC4KET23OH
CH3COCOHCH3
CH3COHCO
CH2COHCHO
C4H71-3OH
C4H72-2OH
C4H63,1-3OH

C4H61-3OH-3O  !C=CC(O)([O])C	InChI=1S/C4H7O2/c1-3-4(2,5)6/h3,5H,1H2,2H3

CCY(COCC)OH
SQC4H7OHS-4O2
C4H7O2-1,3OOH
NC4KET13OH-2
C4H6OHOOH1-2-3
!DONG 0423!CH2(OH)OCH2
ET12IC4-1OOH
SQC4H7OHS-3
CCY(COC)OHC
!\PYROSPEC
SC4H8OH-1
SC4H8OH-2
SC4H8OH-3
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: NC4H9OH
!------------------------------------------------------------------------------
!\LTOXID
PC4H8OH-1O2
PC4H8OH-3O2
PC4H8OH-4O2
C4H7OH-1OOH-2
C4H7OH-1OOH-3
!C4H7OH-2OOH-1
!C4H7OH-2OOH-3
C4H7OH-3OOH-1
C4H7OH-3OOH-2
C4H7OH-3OOH-4
C4H7OH-4OOH-1
C4H7OH-4OOH-2
C4H7OH-4OOH-3
!C4H7OHCYO1-2
C4H7OHCYO1-3
C4H7OHCYO1-4
!C4H7OHCYO2-3
C4H7OHCYO3-4
NC4KET12OH-1
NC4KET13OH-1
!DONG 220428, Lone Reaction Species!NC4KET14OH-1
NC4KET21OH-1
NC4KET31OH-1
NC4KET42OH-1

PC4H8OH-2O2H
PC4H8OH-4O2H
C4H7OH-1OOH-2O2
C4H7OH-1OOH-3O2
C4H7OH-2OOH-1O2
C4H7OH-3OOH-1O2
C4H7OH-4OOH-2O2
!DONG 220428, Lone Reaction Species!IC4H8OH-C
PC4H8OH-1O
PC4H8OH-2O
PC4H8OH-3O
PC4H8OH-4O
!
PC4H8OH-2O2
SQC4H8OP
SQC4H7OHP-4
SQC4H7OHP-1
SQC4H7OHP-3
PQC4H7OHS-2
PQC4H7OHS-4
CY(CCCO)COH
C4H7OH1O1-2
C4H7OH1O2-3
C4H7OH2O1-2
C4H7OH2O1-4
NC4KET21OH
C2H5CHOHCO
C2H4COCH2OH
C4H71-1OH
C4H71-4OH
C4H72-1OH
C4H71-2OH
C4H63,1-2OH

C4H61-2OH-3O2  !C=C(O)C(O[O])C, InChI=1S/C4H7O3/c1-3(5)4(2)7-6/h4-5H,1H2,2H3
C4H61OOH3-2O   !C=C([O])C(OO)C, InChI=1S/C4H7O3/c1-3(5)4(2)7-6/h4,6H,1H2,2H3

C4H64,2-1OH

!DONG 220428, Inert Species!C8H12OH182-6  !C(O)C=CCCC=CC(O), InChI=1S/C8H14O2/c9-7-5-3-1-2-4-6-8-10/h3-6,9-10H,1-2,7-8H2
!DONG 220428, Inert Species!C8H11OH182-6,SA   !C(O)C=C[CH]CC=CC(O), InChI=1S/C8H13O2/c9-7-5-3-1-2-4-6-8-10/h1,3-6,9-10H,2,7-8H2
!DONG 220428, Inert Species!C8H11OH182-6,SAO  !C(O)C=CC([O])CC=CC(O), InChI=1S/C8H13O3/c9-6-2-1-4-8(11)5-3-7-10/h1-3,5,8-10H,4,6-7H2
!DONG 220428, Inert Species!CYC3H5CHO  !C(C1)C1C(=O), InChI=1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2

!DONG 0504

CC5H9OH-A  !C=CC(C)C(O), InChI=1S/C5H10O/c1-3-5(2)4-6/h3,5-6H,1,4H2,2H3
CC5H8OHA-B  !C=C[C](C)C(O)	InChI=1S/C5H9O/c1-3-5(2)4-6/h3,6H,1,4H2,2H3
CC5H8OHA-BO  !C=CC(C)([O])C(O)	InChI=1S/C5H9O/c1-3-5(2)4-6/h3,6H,1,4H2,2H3

C4H64,1-1OH   !C=CC[CH](O)	InChI=1S/C4H7O/c1-2-3-4-5/h2,4-5H,1,3H2
CH2CYC3H4OH   ![CH2]C1CC1(O), InChI=1S/C4H7O/c1-3-2-4(3)5/h3-5H,1-2H2
C4H64,1OH-2O2  !C=CC(O[O])C(O)	InChI=1S/C4H7O3/c1-2-4(3-5)7-6/h2,4-5H,1,3H2
C4H64,OOH2-1O  !C=CC(OO)C([O])	InChI=1S/C4H7O3/c1-2-4(3-5)7-6/h2,4,6H,1,3H2
C4H54,1OHQ2-1  !C=CC(OO)[CH](O)	InChI=1S/C4H7O3/c1-2-4(3-5)7-6/h2-6H,1H2
C4H5OH1O1-2   !C=CC(O1)C1(O)	InChI=1S/C4H6O2/c1-2-3-4(5)6-3/h2-5H,1H2
C4H54,1OHQ2-1O2  !C=CC(OO)C(O)(O[O])	InChI=1S/C4H7O5/c1-2-3(8-6)4(5)9-7/h2-6H,1H2
C2H3COCHOHOOH   !C=CC(=O)C(O)(OO)	InChI=1S/C4H6O4/c1-2-3(5)4(6)8-7/h2,4,6-7H,1H2

C2H3COCHO  !C=CC(=O)C(=O), InChI=1S/C4H4O2/c1-2-4(6)3-5/h2-3H,1H2
C2H3COCHOH  !C=CC(=O)[CH](O), InChI=1S/C4H5O2/c1-2-4(6)3-5/h2-3,5H,1H2
!DONG 220427, DUP!C2H3COCJHOH   !DONG 0423, C=CC(=O)[CH](O)	InChI=1S/C4H5O2/c1-2-4(6)3-5/h2-3,5H,1H2

!
C4H6OH1-3OO2-4  !C(OO1)[CH]C1C(O)	InChI=1S/C4H7O3/c5-3-4-1-2-6-7-4/h1,4-5H,2-3H2
C4H6OH1-4OO2-3  ![CH2]C(OO1)C1C(O)	InChI=1S/C4H7O3/c1-3-4(2-5)7-6-3/h3-5H,1-2H2

C4H6OH1O3-4O-2  !C1C(O1)C([O])C(O)	InChI=1S/C4H7O3/c5-1-3(6)4-2-7-4/h3-5H,1-2H2
C4H6OH1O2-3O-4  !C([O])C(O1)C1C(O)	InChI=1S/C4H7O3/c5-1-3-4(2-6)7-3/h3-5H,1-2H2

!DONG 220428, Inert Species!C4H62-1OH-4O2  !C(O[O])C=CC(O)	InChI=1S/C4H7O3/c5-3-1-2-4-7-6/h1-2,5H,3-4H2
!DONG 220428, Inert Species!C4H52-1OHQ4-1  !C(OO)C=C[CH](O)	InChI=1S/C4H7O3/c5-3-1-2-4-7-6/h1-3,5-6H,4H2
!DONG 220428!C4H51OH1O3-4   !C(O1)C1C=C(O)	InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h1-2,4-5H,3H2

!DONG 220428, Inert Species!C4H6OH1-2OO3-4  !C(O)[CH]C1C(OO1), InChI=1S/C4H7O3/c5-2-1-4-3-6-7-4/h1,4-5H,2-3H2


!DONG 220428, Inert Species!C4H5OH1OOH4-3O2  !C(O)=CC(O[O])C(OO), InChI=1S/C4H7O5/c5-2-1-4(9-7)3-8-6/h1-2,4-6H,3H2
!DONG 220428, Inert Species!C4H5OH1KET43     !C(O)=CC(OO)C(=O), InChI=1S/C4H6O4/c5-2-1-4(3-6)8-7/h1-5,7H
!DONG 220428, Inert Species!C4H5OH1KET43O    !C(O)=CC([O])C(=O), InChI=1S/C4H5O3/c5-2-1-4(7)3-6/h1-5H


!
C4H63,1-1OH
C4H5OH-13

CH2OHCHCHCHOH  !C(O)C=C[CH](O), InChI=1S/C4H7O2/c5-3-1-2-4-6/h1-3,5-6H,4H2

SQC4H7OHP-4O2
PQC4H7OHS-3O2
SQC4H7OHP-3O2
PQC4H7OHS-4O2
C4H6OH1KET2-3
C4H6OH2KET1-4
NC4KET24OH-1
NC4KET24OH-3
C4H6OHOOH1-4-3
C4H6OHOOH2-2-1
C4H6OHOOH1-3-4
HOCH2COCH2
HOCH2CHO
HOCH2CO
HOCHCHO
CH3COCHOH
HOCH2COCH2O2   !C(O)C(=O)C(O[O]), InChI=1S/C3H5O4/c4-1-3(5)2-7-6/h4H,1-2H2
!HOCH2COCH2O2H  !C(O)C(=O)C(OO), InChI=1S/C3H6O4/c4-1-3(5)2-7-6/h4,6H,1-2H2
HOCH2COCH2O    !C(O)C(=O)C([O]), InChI=1S/C3H5O3/c4-1-3(6)2-5/h4H,1-2H2
!\PYROSPEC
NC4H9OH
PC4H8OH-1
PC4H8OH-2
PC4H8OH-3
PC4H8OH-4
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: IC4H9OH
!------------------------------------------------------------------------------
!\LTOXID
TQJC4H8OH
TQC4H7OHI
IQJC4H8OH
TQC4H8OI
QC4H7OHP
IQC4H8OT
IQC4H7OHT
IC4H7OH
IC4H8OH
CCY(CCOC)OH
CCY(CCO)COH
C2CY(COC)OH
IC3H6OHCHO
CH2COHCH2O
CH2COHCH2OOH
TQC4H7OHIO2
TQC4H7OHTO2
TQC4H7OHIQ-I
TQC4H7OHIQ-P
IQC4H7OHTO2
IQC4H8OTQ-I
IQC4H7OHTQ-P
CH2CQCOHQ
IC3H5COHQ
IC3H5Q
COHQCYC(COC)
QCYC(CCOC)OH
HOCOCQ(CH3)2
CHOC(CH3)OHCH2Q
CO(CH2OOH)2
!\PYROSPEC
IC4H8OH-IT
IC4H8OH-TI
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: C4H61-3
!------------------------------------------------------------------------------
!\AROMATIC
CYHEXDN13
CYHEXDN14
C6H8
CYHEXEN-4J
CYPENTN-4MJ
CYPENTN-4M4J
CYPENTN-4M3J
!DONG 0407!CYPENTN-4MTHNE
!\HTOXID
CH2CHCHCHO
!DONG 220428, Inert Species!NC4H5O2

FURAN !C1=COC=C1 InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H
C4H5O-3  !C1=C[CH]C(O1), InChI=1S/C4H5O/c1-2-4-5-3-1/h1-3H,4H2

!DONG 0515!C3H3CH2OOH
!DONG 0515!C3H3CH2O
!DONG 0515!C3H3CHO

!\LTOXID
C2H3CHOHCH2
C2H3CHOHCH2OO

C4H51OH3Q4-3  !C=C[C](O)C(OO)	InChI=1S/C4H7O3/c1-2-4(5)3-7-6/h2,5-6H,1,3H2

C4H6OH3-2OO1-4  !C(OO1)[CH]C(O)C1	InChI=1S/C4H7O3/c5-4-1-2-6-7-3-4/h1,4-5H,2-3H2
C4H6OH3-1OO2-4  ![CH2]C(OO1)C(O)C1	InChI=1S/C4H7O3/c1-3-4(5)2-6-7-3/h3-5H,1-2H2
C4H6OH3O1-2O-4  !C1C(O1)C(O)C([O])	InChI=1S/C4H7O3/c5-1-3(6)4-2-7-4/h3-4,6H,1-2H2

!C2H3CHOHCH2O
C4H51,3OH2  
!DONG 0423!C2H3CHOHCHO
!DONG 0423!C4H5OH1-4OOH
!DONG 0423!C4H5OH1-4OOH-2OO
!DONG 0423!C3H3OHCHO1-2OOH
!DONG 0423!C4H5OJ1-2,4OOH
!DONG 0423!CDY(COCC)OH
!DONE 0423!C3H2OHCH2Q
C3H4CH2OH-3O
!DONG 0515, DUP!C2H3COCH2Q
C2H3COCH2OH
!DONG 0423!CH2CY(CCOC)OH   !DONG 0423, [CH2]C(C1O)C1(=O)	InChI=1S/C4H5O2/c1-2-3(5)4(2)6/h2-3,5H,1H2
C2H3CHOHCO   !DONG 0423, C=CC(O)[C](=O)	InChI=1S/C4H5O2/c1-2-4(6)3-5/h2,4,6H,1H2
C3H4CH2OH-1OOH
C3H4CH2OH-1O

!DONG 0504
CHCHCH2OH   ![CH]=CC(O)	InChI=1S/C3H5O/c1-2-3-4/h1-2,4H,3H2
CHOOCHCH2OH  !C(O[O])=CC(O)	InChI=1S/C3H5O3/c4-2-1-3-6-5/h1,3-4H,2H2

CHOC3H4OH
C4H61OOH3-4
C4H61-OOH3-OO4
C4H61-2OOH34
C4H61-OOH34-OO2
C4H412-OOH34
C3H3CHO-OOH23
C4H4O-OOH24
C4H512-OO4
C4H513-OO2
CYCCCOO-3J
CH2CYCOO-CH2
C2H3COOCH2
CYCOOC-CH2
C4H6O25
C2H3CHOCH2
C4H4O
C4H6O23

CPT

!\PYROSPEC
C4H61-3
C4H5-I
C4H5-N
C4H5-2
C4H4
C4H3-I
C4H3-N
C4H2
CH2CHCHCHCCH
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: C4H612C4H6-2
!------------------------------------------------------------------------------
!\PYROSPEC
C4H612
C4H6-2
CH3CCOCH3
!CH3C(OH)CCH3
!CH3C(OO)CH2CH3
H2C4O

CH2CCOCH3
SC4H6OH-2
CH3COCOCH3
CH3COHOJCOCH3
CH2CCO2HCH3
!DONG 220428, DUP!CH2COCHCH3
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: NC3H7CHO
!------------------------------------------------------------------------------
!\LTOXID
C3H6CHO-1O2
C3H6CHO-2O2
C3H6CHO-3O2
C3H6COQ1
C3H5CHOQ1-3
C3H6COQ2
C3H5CHOQ2-1
C3H6COQ3
C3H5CHOQ3-1
C3H5CHOQ3-2
CH3CYC2H2OCHO
CYC3H5OCHO
CYC2H3OCH2CHO
C3H5CHOQ1-3O2
C3H5CHOQ2-1O2
C3H5CHOQ3-1O2
C2H4COCHOQ3
CH3COCHCHOQ1
CHOCH2CHCHOQ1
!\PYROSPEC
NC3H7CHO
NC3H7CO
C3H6CHO-1
C3H6CHO-2
C3H6CHO-3
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: C2H5COCH3
!------------------------------------------------------------------------------
!\LTOXID
CH3CHOOCOCH3
CH2CHOOHCOCH3
!\PYROSPEC
C2H5COCH3
C2H5COCH2
CH2CH2COCH3
CH3CHCOCH3
C2H3COCH3
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: C2H5CHCO
!------------------------------------------------------------------------------
!\PYROSPEC
C2H5CHCO
!DONG 0923
CH3CHOOHCHCO  !C(OO)(C)C=C=O, InChI=1S/C4H6O3/c1-4(7-6)2-3-5/h2,4,6H,1H3
CH3CHOCHCO    !C([O])(C)C=C=O, InChI=1S/C4H5O2/c1-4(6)2-3-5/h2,4H,1H3
OVCCVCVO
!------------------------------------------------------------------------------


!------------------------------------------------------------------------------ 
!\SUBMECH: \C8H141-5,3-4 
!------------------------------------------------------------------------------ 
!\PYROSPEC: 
C8H141-5,3-4
C8H131-5,3-4,TA
C6H101-3,3
!\HTOXID: 
!\LTOXID: 
C8H131-5,3-4,TAO
!------------------------------------------------------------------------------ 
!------------------------------------------------------------------------------ 
!\SUBMECH: \C8H141-5,3 
!------------------------------------------------------------------------------ 
!\PYROSPEC: 
C8H141-5,3
C8H131-5,3,TA
C8H131-5,3,SA
C8H131-5,3,PA
!\HTOXID: 
!\LTOXID: 
C8H131-5,3,TAO
C8H131-5,3,SAO
C8H131-5,3,PAO
C7H111-5,3,6P
!------------------------------------------------------------------------------ 
!------------------------------------------------------------------------------ 
!\SUBMECH: \C8H142-6 
!------------------------------------------------------------------------------ 
!\PYROSPEC: 
C8H142-6
C8H132-6,SA
C8H132-6,PA
!\HTOXID: 
!\LTOXID: 
C8H132-6,SAO
C8H132-6,PAO
C7H111-5,1P
!------------------------------------------------------------------------------ 


!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\END_SPECIES_MODULE: C4
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\SPECIES_MODULE: C5
!\MODCOMMENTS: KPS, 22 / 07 / 2015 JBS PENTANE SPECIES LIST HAS TO BE ADDED AND COMBINED WITH CWS AC5H10 AS THERE ARE 1 / 2 / 3 SPECIES WHICH ARE IN BOTH MECHANISMS
!\MODCOMMENTS: SEARCH FOR "\\WARNING: DUPLICATED KINETICS" FOR MORE INFO.
!\MODCOMMENTS: FOLLOWING SPECIES IN C5 SUBMECH BUT ARE NOT C5 SPECIES: OCH2CHO CH2OCH2CHO C2H4OCHO C4H7O1-4 C4H7O2-1
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!------------------------------------------------------------------------------
!\SUBMECH: NC5H12
!------------------------------------------------------------------------------
!\LTOXID
C5H5CH3-1
C5H5CH3-2
C5H5CH2-1
C5H5CH2-2
CYC6H7
C6H7-2
CVOCVCCOOH
OVCCVCCOJ
OVCCVCCJVO
C5H4CH3
C5H5CH2
OVCCVCCVO
C5H11O2H-1
C5H11O2H-2
C5H11O2H-3
C5H11O2-1
C5H11O2-2
C5H11O2-3
C5H11O-1
C5H11O-2
C5H11O-3
C5H10OOH1-2
C5H10OOH1-3
C5H10OOH1-4
C5H10OOH1-5
C5H10OOH2-1
C5H10OOH2-3
C5H10OOH2-4
C5H10OOH2-5
C5H10OOH3-1
C5H10OOH3-2
C5H10O1-2
C5H10O1-3
C5H10O1-4
C5H10O1-5
C5H10O2-3
C5H10O2-4
C5H10OOH1-2O2
C5H10OOH1-3O2
C5H10OOH1-4O2
C5H10OOH1-5O2
C5H10OOH2-1O2
C5H10OOH2-3O2
C5H10OOH2-4O2
C5H10OOH2-5O2
C5H10OOH3-1O2
C5H10OOH3-2O2
C5H91-2,3OOH
C5H91-2,4OOH
C5H91-2,5OOH
C5H91-3,4OOH
C5H91-3,5OOH
C5H91-4,5OOH
C5H92-1,3OOH
C5H92-1,4OOH
C5H92-1,5OOH
C5H92-3,4OOH
C5H92-3,5OOH
C5H92-4,5OOH
C5H93-1,2OOH
C5H93-1,4OOH
C5H93-1,5OOH
C5H93-2,4OOH
C5H91-3OOH
C5H91-4OOH
C5H91-5OOH
C5H92-1OOH
C5H92-4OOH
C5H92-5OOH
C5H9O1-2OOH-3
C5H9O1-2OOH-4
C5H9O1-2OOH-5
C5H9O1-3OOH-2
C5H9O1-3OOH-4
C5H9O1-3OOH-5
C5H9O1-4OOH-2
C5H9O1-4OOH-3
C5H9O1-4OOH-5
C5H9O1-5OOH-2
C5H9O1-5OOH-3
C5H9O2-3OOH-1
C5H9O2-3OOH-4
C5H9O2-3OOH-5
C5H9O2-4OOH-1
C5H9O2-4OOH-3
C5H9O1-2O-5
CH2CH2OCH2CH2CHO
NC5KET12
NC5KET13
NC5KET14
NC5KET15
NC5KET21
NC5KET23
NC5KET24
NC5KET25
NC5KET31
NC5KET32
NC5KET12O
NC5KET13O
NC5KET14O
NC5KET15O
NC5KET21O
NC5KET23O
NC5KET24O
NC5KET25O
NC5KET31O
NC5KET32O
NC5DIONE13
NC5DIONE24
OCH2CHO
CH2OCH2CHO
C2H4OCHO
C5H10OOH1-3OH
C5H10OOH2-4OH
C5H10OOH3-1OH
NC5CYCPER13
NC5CYCPER24
NC5CYCPER31
!\PYROSPEC
NC5H12
C5H11-1
C5H11-2
C5H11-3
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: IC5H12
!------------------------------------------------------------------------------
!\LTOXID
AC5H9O-A2
AC5H11O2H
BC5H11O2H
CC5H11O2H
DC5H11O2H
AC5H11O2
BC5H11O2
CC5H11O2
DC5H11O2
AC5H11O
BC5H11O
CC5H11O
DC5H11O
AC5H10OOH-A
AC5H10OOH-B
AC5H10OOH-C
AC5H10OOH-D
BC5H10OOH-A
BC5H10OOH-C
BC5H10OOH-D
CC5H10OOH-A
CC5H10OOH-B
CC5H10OOH-D
DC5H10OOH-A
DC5H10OOH-B
DC5H10OOH-C
A-AC5H10O
A-BC5H10O
A-CC5H10O
A-DC5H10O
B-CC5H10O
B-DC5H10O
C-DC5H10O
AC5H10OOH-AO2
AC5H10OOH-BO2
AC5H10OOH-CO2
AC5H10OOH-DO2
BC5H10OOH-AO2
BC5H10OOH-CO2
BC5H10OOH-DO2
CC5H10OOH-AO2
CC5H10OOH-BO2
CC5H10OOH-DO2
DC5H10OOH-AO2
DC5H10OOH-BO2
DC5H10OOH-CO2
C5H9A-A,BOOH
C5H9A-A,COOH
C5H9A-A,DOOH
C5H9A-B,COOH
C5H9A-B,DOOH
C5H9A-C,DOOH
C5H9B-A,AOOH
C5H9B-A,COOH
C5H9B-A,DOOH
C5H9B-C,DOOH
C5H9C-A,AOOH
C5H9C-A,BOOH
C5H9C-A,DOOH
C5H9C-B,DOOH
C5H9D-A,AOOH
C5H9D-A,BOOH
C5H9D-A,COOH
C5H9D-B,COOH
C5H9A-AOOH
C5H9A-COOH
C5H9A-DOOH
C5H9B-AOOH
C5H9B-DOOH
C5H9C-AOOH
C5H9C-BOOH
C5H9OA-AOOH-B
C5H9OA-AOOH-C
C5H9OA-AOOH-D
C5H9OA-BOOH-A
C5H9OA-BOOH-C
C5H9OA-BOOH-D
C5H9OA-COOH-A
C5H9OA-COOH-B
C5H9OA-COOH-D
C5H9OA-DOOH-A
C5H9OA-DOOH-B
C5H9OA-DOOH-C
C5H9OB-COOH-A
C5H9OB-COOH-D
C5H9OB-DOOH-A
C5H9OB-DOOH-C
C5H9OC-DOOH-A
C5H9OC-DOOH-B
CH3COCH2OCH2CH2
IC5KETAA
IC5KETAB
IC5KETAC
IC5KETAD
IC5KETCA
IC5KETCB
IC5KETCD
IC5KETDA
IC5KETDB
IC5KETDC
IC5KETAAO
IC5KETABO
IC5KETACO
IC5KETADO
IC5KETCAO
IC5KETCBO
IC5KETCDO
IC5KETDAO
IC5KETDBO
IC5KETDCO
AC5H10OH
BC5H10OH
CC5H10OH
AO2C5H10OH
BO2C5H10OH
CO2C5H10OH
IC3H5COCH3
IC3H5COCH2
AC3H4COCH3
!\PYROSPEC
IC5H12
AC5H11
BC5H11
CC5H11
DC5H11
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: NEOC5H12
!------------------------------------------------------------------------------
!\LTOXID
NEOC5H11O2H
NEOC5H11O2
NEOC5H11O
NEOC5H10OOH
NEO-C5H10O
NEOC5H10OOH-O2
NEOC5H9Q2
NEOC5KET
NEOC5KETOX
NEOC5KEJOL
IC4H6Q2-II
NEOC5H9O-OOH
!\PYROSPEC
NEOC5H12
NEOC5H11
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: C5H10-1\C5H10-2
!------------------------------------------------------------------------------
!\LTOXID
C5H81-2
C5H81-3

!DONG 220427, DUP!C5H8OH12-4
C5H8OH13-2O2
C5H83OOH2-1O

C5H8D14
C5H82-3
C5H8-1
C5H8-2
CH3CYC3H3CH3-3
CH3CYC3H3CH3
CH2CYC3H4CH3
CYC3H4C2H5-1
CYC3H4C2H5-2
CYC3H5CHCH3
CYC4H6-2-CH3
CYC4H6-3-CH3
CYC5H9
CH2CYC3H3CH3
CYC3H3-1C2H5
CYC3H3-3C2H5
CYC3H4CHCH3
CYC3H5CHCH2
C5H7-13-2
C5H7-13-3
CVCCJCVC
C5H7-14-1
C5H7-14-1O2
CVCCVCCOJ
CVCCVCCOO
CVCCVCCVO
CVCC(OJ)CVC
CVCC(OO)CVC
C5H9O1-3
C5H9O2-1
C5H9O2-4
C5H91-1O2
C5H91-2O2
C5H91-3O2
C5H91-4O2
C5H91-5O2
C5H92-1O2
C5H92-2O2
C5H92-3O2
C5H92-4O2
C5H92-5O2
C5H91OO2-3
C5H91OO2-4
C5H91OO2-5
C5H92OO1-3
C5H92OO1-4
C5H92OO1-5
C5H92OO3-4
C5H92OO3-5
C5H93OO1-2
C5H93OO2-4
C5H93OO2-5
C5H9O1-2O-3
C5H9O1-2O-4
C5H9O2-3O-1
C5H9O2-3O-4
C5H9O2-3O-5
C5H81OOH3-1
C5H81OOH3-4
C5H81OOH3-5
C5H81OOH4-1
C5H81OOH4-2
C5H81OOH4-3
C5H81OOH4-5
C5H81OOH5-2
C5H81OOH5-3
C5H81OOH5-4
C5H82OOH1-3
C5H82OOH1-4
C5H82OOH4-2
C5H82OOH5-2
C5H82OOH5-3
C5H81-3,4OOH
C5H81O-3-4OOH
C5H81-3,5OOH
C5H81O-3-5OOH
C5H82-1,4OOH
C5H82O-4-1OOH
C5H82-4,5OOH
C5H82O-4-5OOH
C5H81O2-4
C5H81O3-4
C5H81O3-5
C5H81O4-5
C5H82O1-4
C5H82O2-4
C5H82O3-5
C5H82O4-5
C5H81OOH3-4O2
C5H81OOH3-5O2
C5H81OOH4-3O2
C5H81OOH4-5O2
C5H81OOH5-3O2
C5H81OOH5-4O2
C5H82OOH4-1O2
C5H82OOH5-1O2
C5H83OH1Q2
C5H84OH1Q2
C5H82OH2Q1
C5H83OH2Q1
C5H84OH2Q1
C5H81KET34
C5H81KET35
C5H81KET43
C5H81KET45
C5H81KET53
C5H81KET54
C5H82KET41
C5H82KET51
C5H82KET45
C5H81KET34O
C5H81KET35O
C5H81KET43O
C5H81KET45O
C5H81KET53O
C5H81KET54O
C5H82KET41O
C5H82KET51O
C5H10OH21
C5H10OH22
C5H10OH23
C5H10OH25
C5H10OH32
O2C5H10OH21
O2C5H10OH23
O2C5H10OH32
C5H10OOH2-1O
C5H10OOH1-2O
C5H10OOH2-3O
C5H10OOH3-2O
C5H9OH2-1
C5H9OH2-2
C5H9OH2-3
C5H9OH3-1
C5H9OH3-2
C5H9OH1Q2-1
C5H9OH1Q2-3
C5H9OH1Q2-4
C5H9OH1Q2-5
C5H9OH2Q1-2
C5H9OH2Q1-3
C5H9OH2Q1-4
C5H9OH2Q1-5
C5H9OH2Q3-1
C5H9OH2Q3-2
C5H9OH2Q3-4
C5H9OH2Q3-5
C5H9OH3Q2-1
C5H9OH3Q2-3
C5H9OH3Q2-4
C5H9OH3Q2-5
CH3COCOHCH2
C5H9OH1O1-2
C5H9OH1O2-3
C5H9OH1O2-4
C5H9OH1O2-5
C5H9OH2O1-2
C5H9OH2O1-3
C5H9OH2O1-4
C5H9OH2O1-5
C5H9OH2O2-3
C5H9OH2O3-4
C5H9OH2O3-5
C5H9OH3O1-2
C5H9OH3O2-3
C5H9OH3O2-4
C5H9OH3O2-5
C5H9OH1Q2-3O2
C5H9OH1Q2-4O2
C5H9OH1Q2-5O2
C5H9OH2Q1-3O2
C5H9OH2Q1-4O2
C5H9OH2Q1-5O2
C5H9OH2Q3-1O2
C5H9OH2Q3-4O2
C5H9OH2Q3-5O2
C5H9OH3Q2-1O2
C5H9OH3Q2-4O2
C5H9OH3Q4-1O2
C5H8OH1KET2-3
C5H8OH1KET2-4
C5H8OH1KET2-5
C5H8OH2KET1-3
C5H8OH2KET1-4
C5H8OH2KET1-5
C5H8OH2KET3-1
C5H8OH2KET3-4
C5H8OH2KET3-5
C5H8OH3KET2-1
C5H8OH3KET2-4
C5H8OH3KET2-5
IC6D3
IC6D3-2
IC6D3-2O
I3C6D1
I3C6D1-3
I3C6D1-3O
!\PYROSPEC
C5H10-1
C5H10-2
C5H91-1
C5H91-2
C5H91-3
C5H91-4
C5H91-5
C5H92-2
C5H92-3
C5H92-4
C5H92-5
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: CC5H10BC5H10
!------------------------------------------------------------------------------
!\LTOXID
AC5H9O-C
CC5H9O-B
!\PYROSPEC
BC5H10
BC5H9-C
CC5H10
CC5H9-A
CC5H9-B
CC5H9-C
CC5H9-D

!DONG 220427, DUP!CC5H9-BOOH  !C=CC(OO)(C)C, InChI=1S/C5H10O2/c1-4-5(2,3)7-6/h4,6H,1H2,2-3H3
!DONG 220427, DUP!BC5H9-DO  !C([O])C=C(C)C, InChI=1S/C5H9O/c1-5(2)3-4-6/h3H,4H2,1-2H3
!DONG 220427, DUP!BC5H9-DOOH  !C(OO)C=C(C)C, InChI=1S/C5H10O2/c1-5(2)3-4-7-6/h3,6H,4H2,1-2H3

!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: AC5H10
!------------------------------------------------------------------------------
!\LTOXID
B2E2M1OJ
!\PYROSPEC
AC5H10
AC5H9-A1
AC5H9-A2
AC5H9-C
AC5H9-D
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: B13DE2M
!------------------------------------------------------------------------------
!\LTOXID
B2E3M1OJ
!\PYROSPEC
B13DE2M
B13DE2MJ
B12DE3M
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: TC4H8CHO
!------------------------------------------------------------------------------
!\LTOXID
O2C4H8CHO
O2HC4H8CO
!\PYROSPEC
TC4H8CHO
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: PC4H8CHO-1PC4H8CHO-2\PC4H8CHO-3
!------------------------------------------------------------------------------
!\LTOXID
PC4H8CHO-1O2
PC4H8CHO-2O2
PC4H8CHO-3O2
PC4H8CHO-4O2
C4H7CHO-2
C4H7CHO-3
C4H7CHO-4
C4H7CO1-4
C4H6CHO-3,1
C4H6CHO-3,2
C4H6CHO-2,4O
C4H6CHO-4,3
PC4H7CHOQ1-3    !C[CH]CC(OO)C(=O), InChI=1S/C5H9O3/c1-2-3-5(4-6)8-7/h2,4-5,7H,3H2,1H3
CH3CYC3H4OCHO   !CC(O1)CC1C(=O), InChI=1S/C5H8O2/c1-4-2-5(3-6)7-4/h3-5H,2H2,1H3
PC4H7CHOQ2-1    !CCC(OO)[CH]C(=O), InChI=1S/C5H9O3/c1-2-5(8-7)3-4-6/h3-5,7H,2H2,1H3
C2H5CYC2H2OCHO  !CCC(O1)C1C(=O), InChI=1S/C5H8O2/c1-2-4-5(3-6)7-4/h3-5H,2H2,1H3
PC4H7CHOQ2-4    ![CH2]CC(OO)CC(=O), InChI=1S/C5H9O3/c1-2-5(8-7)3-4-6/h4-5,7H,1-3H2
CYC3H5OCH2CHO   !C(O1)CC1CC(=O), InChI=1S/C5H8O2/c6-3-1-5-2-4-7-5/h3,5H,1-2,4H2
PC4H7CHOQ3-1    !CC(OO)C[CH]C(=O), InChI=1S/C5H9O3/c1-5(8-7)3-2-4-6/h2,4-5,7H,3H2,1H3
PC4H8COQ1       !CCCC(OO)[C](=O), InChI=1S/C5H9O3/c1-2-3-5(4-6)8-7/h5,7H,2-3H2,1H3
PC4H8COQ2       !CCC(OO)C[C](=O), InChI=1S/C5H9O3/c1-2-5(8-7)3-4-6/h5,7H,2-3H2,1H3
PC4H8COQ3       !CC(OO)CC[C](=O), InChI=1S/C5H9O3/c1-5(8-7)3-2-4-6/h5,7H,2-3H2,1H3
!\PYROSPEC
PC4H9CHO
PC4H9CO
PC4H8CHO-1
PC4H8CHO-2
PC4H8CHO-3
PC4H8CHO-4
AC3H5CHO
AC3H5CO
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: NC3H7COCH3C2H5COC2H5
!------------------------------------------------------------------------------
!\LTOXID
NC52ONEO2-3
NC52ONEO2-4
NC52ONEO2-5
NC53ONEO2-1
NC53ONEO2-2
NC52ONE-3
NC52ONE-4
NC53ONE-1
!\PYROSPEC
NC3H7COCH3
C2H5COC2H5
NC3H7COCH2
CH3CH2CHCOCH3
CH3CHCH2COCH3
CH2CH2CH2COCH3
CH2CH2COC2H5
CH3CHCOC2H5
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: NC5H11OH
!------------------------------------------------------------------------------
!\LTOXID
C5H10OH-2O2
C5H10OH-3O2
C5H10OH-4O2
C5H10OH-5O2
C5H9OH1-1
C5H9OH1-2
C5H9OH1-3
C5H9OH1-4
C5H9OH1-2,4
C5H9OH1-2,4O
C5H9OH1-4,3
C5H9OH1-4,3O
C5H9OH2-1,3
C5H9OH2-1,3O
!DONG 0423!CCVCCVCOH
CH3COOH
C2H5COOH
!\PYROSPEC
NC5H11OH
C5H10OH11
C5H10OH12
C5H10OH13
C5H10OH14
C5H10OH15
!------------------------------------------------------------------------------
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\END_SPECIES_MODULE: C5
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\SPECIES_MODULE: C6
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!------------------------------------------------------------------------------
!\SUBMECH: NC6H14
!------------------------------------------------------------------------------
!\LTOXID

C6H13O2-1
C6H13O2-2
C6H13O2-3

C6H13OOH-1
C6H13OOH-2
C6H13OOH-3

C6H13O-1
C6H13O-2
C6H13O-3

C6H12OOH1-2O
C6H12OOH2-1O
C6H12OOH2-6O
C6H12OOH3-5O
C6H12OOH1-5O
C6H12OOH2-5O
C6H12OOH3-4O

C6H12OOH1-4
C6H12OOH2-4
C6H12OOH3-2
C6H12OOH1-2
C6H12OOH1-3
C6H12OOH1-5
C6H12OOH2-1
C6H12OOH2-3
C6H12OOH2-5
C6H12OOH2-6
C6H12OOH3-1
C6H12OOH3-4
C6H12OOH3-5
C6H12OOH3-6

C6H12O1-2
C6H12O2-3
C6H12O1-3
C6H12O2-4
C6H12O1-4
C6H12O2-5
C6H12O1-5
C6H12O3-4

C6H12OOH1-5O2
C6H12OOH2-5O2
C6H12OOH3-4O2
C6H12OOH1-2O2
C6H12OOH2-1O2
C6H12OOH2-6O2
C6H12OOH3-5O2
C6H12OOH1-3O2
C6H12OOH1-4O2
C6H12OOH2-3O2
C6H12OOH2-4O2
C6H12OOH3-1O2
C6H12OOH3-2O2
C6H12OOH3-6O2

C6H12OOH1-3O
C6H12OOH2-3O
C6H12OOH3-1O
C6H12OOH3-6O

C6KET15
C6KET25
C6KET34
C6KET14
C6KET24
C6KET32
C6KET12
C6KET21
C6KET26
C6KET35
C6KET13
C6KET23
C6KET31
C6KET36

C6KET13O
C6KET23O
C6KET31O
C6KET36O
C6KET14O
C6KET24O
C6KET32O
C6KET12O
C6KET21O
C6KET26O
C6KET35O
C6KET15O
C6KET25O
C6KET34O

C6H11O12-6OOH
C6H11O13-6OOH
C6H11O14-6OOH
C6H11O15-6OOH
C6H11O23-6OOH
C6H11O24-6OOH
C6H11O34-2OOH

C6H11Q12-4
C6H11Q12-6
C6H11Q13-6
C6H11Q14-6
C6H11Q15-6
C6H11Q23-6
C6H11Q24-6
C6H11Q34-2
C6H11Q13-4
C6H11Q14-3
C6H11Q15-3
C6H11Q23-4
C6H11Q24-3
C6H11Q25-3
C6H11Q12-5
C6H11Q13-5
C6H11Q14-5
C6H11Q15-4
C6H11Q23-5
C6H11Q24-5
C6H11Q34-1
C6H11Q12-3
C6H11Q13-2
C6H11Q14-2
C6H11Q15-2
C6H11Q23-1
C6H11Q24-1
C6H11Q25-1

C6H11O12-3OOH
C6H11O13-2OOH
C6H11O14-2OOH
C6H11O15-2OOH
C6H11O23-1OOH
C6H11O24-1OOH
C6H11O25-1OOH

C6H11O12-5OOH
C6H11O13-5OOH
C6H11O14-5OOH
C6H11O15-4OOH
C6H11O23-5OOH
C6H11O24-5OOH
C6H11O34-1OOH
C6H11O12-4OOH
C6H11O13-4OOH
C6H11O14-3OOH
C6H11O15-3OOH
C6H11O23-4OOH
C6H11O24-3OOH
C6H11O25-3OOH


C4H7O12-4
C4H7O13-4
C4H7O23-1
C5H9O12-5
C5H9O13-5
C5H9O14-5
C5H9O23-1
C5H9O23-5
C5H9O24-1

C6H12OOH1-4O
C6H12OOH2-4O
C6H12OOH3-2O

!\PYROSPEC
NC6H14
C6H13-1
C6H13-2
C6H13-3

!------------------------------------------------------------------------------
!\SUBMECH: C6H12-1\C6H12-2\C6H12-3
!------------------------------------------------------------------------------
!
!\LTOXID

C6H11-1D3OOH
C6H11-2D1OOH
C6H11-3D1OOH
C6H11-1D5OOH
C6H11-2D5OOH
C6H11-1D4OOH
C6H11-2D4OOH
C6H11-3D2OOH
C6H11-1D6OOH
C6H11-2D6OOH

C6H9D14-3OOH
C6H9D13-5OOH
C6H9D13-6OOH
C6H9D14-6OOH

C6H11-1D3O
!DONG 0318!C6H11-1D4O
!DONG 0318!C6H11-1D6O
C6H11-2D1O
!DONG 0318!C6H11-2D5O
!DONG 0318!C6H11-2D6O
!DONG 0318!C6H11-3D1O
C6H11-3D2O
C6H11-2D4O

C6H111O2-1
C6H111O2-2
C6H111O2-5
C6H112O2-6
C6H112O2-1
C6H111O2-6
C6H113O2-2
C6H111O2-3
C6H112O2-4
C6H113O2-1
C6H111O2-4
C6H112O2-5

!DONG 0605
C6H111OO2-3  ![CH2]C(OO1)C1CCC, InChI=1S/C6H11O2/c1-3-4-6-5(2)7-8-6/h5-6H,2-4H2,1H3
C6H111OO2-4  ![CH2]C(OO1)CC1CC, InChI=1S/C6H11O2/c1-3-6-4-5(2)7-8-6/h5-6H,2-4H2,1H3
C6H111OO2-5  ![CH2]C(OO1)CCC1C, InChI=1S/C6H11O2/c1-5-3-4-6(2)8-7-5/h5-6H,1,3-4H2,2H3
C6H112OO1-3  !C(OO1)[CH]C1CCC, InChI=1S/C6H11O2/c1-2-3-6-4-5-7-8-6/h4,6H,2-3,5H2,1H3
C6H112OO1-4  !C(OO1)[CH]CC1CC, InChI=1S/C6H11O2/c1-2-6-4-3-5-7-8-6/h3,6H,2,4-5H2,1H3
C6H112OO1-5  !C(OO1)[CH]CCC1C, InChI=1S/C6H11O2/c1-6-4-2-3-5-7-8-6/h3,6H,2,4-5H2,1H3
C6H113OO1-2  !C(OO1)C1[CH]CCC, InChI=1S/C6H11O2/c1-2-3-4-6-5-7-8-6/h4,6H,2-3,5H2,1H3
C6H113OO2-5  !CC(OO1)[CH]CC1C, InChI=1S/C6H11O2/c1-5-3-4-6(2)8-7-5/h3,5-6H,4H2,1-2H3
C6H112OO3-5  !C[CH]C(OO1)CC1C, InChI=1S/C6H11O2/c1-3-6-4-5(2)7-8-6/h3,5-6H,4H2,1-2H3
!
C6H11O1-2O-3  !C(O1)C1C([O])CCC, InChI=1S/C6H11O2/c1-2-3-5(7)6-4-8-6/h5-6H,2-4H2,1H3
C6H11O1-2O-4  !C(O1)C1CC([O])CC, InChI=1S/C6H11O2/c1-2-5(7)3-6-4-8-6/h5-6H,2-4H2,1H3
C6H11O1-2O-5  !C(O1)C1CCC([O])C, InChI=1S/C6H11O2/c1-5(7)2-3-6-4-8-6/h5-6H,2-4H2,1H3
C6H11O2-3O-1  !C([O])C1C(O1)CCC, InChI=1S/C6H11O2/c1-2-3-5-6(4-7)8-5/h5-6H,2-4H2,1H3
!DONG 0318!C6H11O2-3O-4  !CC1C(O1)C([O])CC, InChI=1S/C6H11O2/c1-3-5(7)6-4(2)8-6/h4-6H,3H2,1-2H3
C6H11O2-3O-5  !CC1C(O1)CC([O])C, InChI=1S/C6H11O2/c1-4(7)3-6-5(2)8-6/h4-6H,3H2,1-2H3
!
C6H101OOH3-6
C6H101OOH5-3
C6H101OOH6-4
C6H102OOH5-4
C6H103OOH1-2
C6H101OOH3-5
C6H101OOH4-6
C6H101OOH6-3
C6H102OOH4-6
C6H102OOH6-5
C6H101OOH3-4
C6H101OOH4-5
C6H101OOH5-6
C6H102OOH4-5
C6H102OOH6-4
C6H101OOH4-3
C6H101OOH5-4
C6H101OOH6-5
C6H102OOH5-6
C6H103OOH2-1
C6H101OOH3-1
C6H101OOH4-1
C6H101OOH4-2
C6H101OOH5-2

C6H101-3,4OOH
C6H101-3,5OOH
C6H101-3,6OOH
C6H103-1,2OOH   !C(OO)C(OO)C=CCC, InChI=1S/C6H12O4/c1-2-3-4-6(10-8)5-9-7/h3-4,6-8H,2,5H2,1H3
C6H102-4,5OOH   !CC=CC(OO)C(OO)C, InChI=1S/C6H12O4/c1-3-4-6(10-8)5(2)9-7/h3-8H,1-2H3
C6H102-4,6OOH   !CC=CC(OO)CC(OO), InChI=1S/C6H12O4/c1-2-3-6(10-8)4-5-9-7/h2-3,6-8H,4-5H2,1H3

C6H101O-3-4OOH
C6H101O-3-5OOH
C6H101O-3-6OOH
C6H103O-2-1OOH  !C(OO)C([O])C=CCC, InChI=1S/C6H11O3/c1-2-3-4-6(7)5-9-8/h3-4,6,8H,2,5H2,1H3
C6H102O-4-5OOH  !CC=CC([O])C(OO)C, InChI=1S/C6H11O3/c1-3-4-6(7)5(2)9-8/h3-6,8H,1-2H3
C6H102O-4-6OOH  !CC=CC([O])CC(OO), InChI=1S/C6H11O3/c1-2-3-6(7)4-5-9-8/h2-3,6,8H,4-5H2,1H3

C6H102O4-5 !CC=CC(O1)C1C, InChI=1S/C6H10O/c1-3-4-6-5(2)7-6/h3-6H,1-2H3
C6H102O4-6 !CC=CC(O1)CC1, InChI=1S/C6H10O/c1-2-3-6-4-5-7-6/h2-3,6H,4-5H2,1H3
C6H102O5-6 !CC=CCC(O1)C1, InChI=1S/C6H10O/c1-2-3-4-6-5-7-6/h2-3,6H,4-5H2,1H3
C6H101O2-4
C6H101O4-5
C6H101O4-6
C6H101O5-6
C6H103O1-2  !C(O1)C1C=CCC, InChI=1S/C6H10O/c1-2-3-4-6-5-7-6/h3-4,6H,2,5H2,1H3
VTHF
EDHF
ETES1
MVOX

C6H101OOH3-5O2
C6H101OOH4-6O2
C6H101OOH6-3O2
C6H102OOH4-6O2
C6H102OOH6-5O2
C6H101OOH4-3O2
C6H101OOH5-4O2
C6H101OOH6-5O2
C6H102OOH5-6O2
C6H103OOH2-1O2
C6H101OOH3-4O2
C6H101OOH4-5O2
C6H101OOH5-6O2
C6H102OOH4-5O2
C6H102OOH6-4O2
C6H101OOH3-6O2
C6H101OOH5-3O2
C6H101OOH6-4O2
C6H102OOH5-4O2
C6H103OOH1-2O2

NC6D1KET35
NC6D1KET46
NC6D1KET63
NC6D2KET46
NC6D2KET65
NC6D1KET43
NC6D1KET54
NC6D1KET65
NC6D2KET56
NC6D3KET21
NC6D1KET34
NC6D1KET45
NC6D1KET56
NC6D2KET45
NC6D2KET64
NC6D1KET36
NC6D1KET53
NC6D1KET64
NC6D2KET54
NC6D3KET12

NC6D1KET34O
NC6D1KET35O
NC6D1KET36O
NC6D1KET43O
NC6D1KET45O
NC6D1KET46O
NC6D1KET53O
NC6D1KET54O
NC6D1KET56O
NC6D1KET63O
NC6D1KET64O
NC6D1KET65O
!
C6H10D24
C6H10D14
C6H101-5
C6H10D13


!DONG 0318!OVCCCJVO
!DONG 0318!OVCCCVO
P13DE1J
CVCCJCVCC
CVCCVCCOJC
CVCCOJCVCC
!DONG 0923
!DONG 0318!C5H7-13-1    !
COOHCVCCVCC  !
COJCVCCVCC   !

C6H9-A
C6H9-AOOH

!DONG 0618
C6H9-13-2    !C=[C]C=CCC, InChI=1S/C6H9/c1-3-5-6-4-2/h5-6H,1,4H2,2H3
C6H9-13-3    !C=C[C]=CCC, InChI=1S/C6H9/c1-3-5-6-4-2/h3,6H,1,4H2,2H3
C6H9-13-6    !C=CC=CC[CH2], InChI=1S/C6H9/c1-3-5-6-4-2/h3,5-6H,1-2,4H2
C6H9-13-6O2  !C=CC=CCC(O[O]), InChI=1S/C6H9O2/c1-2-3-4-5-6-8-7/h2-4H,1,5-6H2

!DONG 0423!C6H6O-24
!DONG 0423!C6H6O-25

I3C7D1
I3C7D1-3
I3C7D1-3O

!DONG 0605
C2H3COCH2  !C=CC(=O)[CH2], InChI=1S/C4H5O/c1-3-4(2)5/h3H,1-2H2
!

!
!\PYROSPEC
C6H12-1
C6H12-2
C6H12-3
C6H111-1
C6H111-2
C6H111-3
C6H111-4
C6H111-5
C6H111-6
C6H112-4
C6H112-5
C6H112-6
C6H113-1
!
!------------------------------------------------------------------------------

!------------------------------------------------------------------------------
!\SUBMECH: NC6H13OH\NC6H13OH-2\NC6H13OH-3
!------------------------------------------------------------------------------
!\LTOXID
C6H12OH-1J2
C6H12OH-3J4
C6H12OH-2J1
C6H12OH-2J3
C6H12OH-3J2
!
C6H12OH11 ![CH](O)CCCCC, InChI=1S/C6H13O/c1-2-3-4-5-6-7/h6-7H,2-5H2,1H3
C6H12OH15 !C(O)CCC[CH]C, InChI=1S/C6H13O/c1-2-3-4-5-6-7/h2,7H,3-6H2,1H3
C6H12OH16 !C(O)CCCC[CH2], InChI=1S/C6H13O/c1-2-3-4-5-6-7/h7H,1-6H2
C6H12OH22  !C[C](O)CCCC, InChI=1S/C6H13O/c1-3-4-5-6(2)7/h7H,3-5H2,1-2H3
C6H12OH25  !CC(O)CC[CH]C, InChI=1S/C6H13O/c1-3-4-5-6(2)7/h3,6-7H,4-5H2,1-2H3

C6H12OH-2O2-3
C6H12OH-1O2-2
C6H12OH-3O2-4
C6H12OH-2O2-1
C6H12OH-3O2-2
C6H12OH-1O2 !C(O)(O[O])CCCCC, InChI=1S/C6H13O3/c1-2-3-4-5-6(7)9-8/h6-7H,2-5H2,1H3
C6H12OH-5O2 !C(O)CCCC(O[O])C, InChI=1S/C6H13O3/c1-6(9-8)4-2-3-5-7/h6-7H,2-5H2,1H3
C6H12OH-6O2 !C(O)CCCCC(O[O]), InChI=1S/C6H13O3/c7-5-3-1-2-4-6-9-8/h7H,1-6H2
!DONG 0618
C6H12OH2-2O2  !CC(O)(O[O])CCCC, InChI=1S/C6H13O3/c1-3-4-5-6(2,7)9-8/h7H,3-5H2,1-2H3

C6H11OH1-1
C6H11OH1-2
C6H11OH2-1
C6H11OH2-2
C6H11OH2-3
C6H11OH3-1
C6H11OH3-2
!DONG 0318!C6H11OH3-3
!DONG 0318!C6H11OH4-2
C6H11OH1-4  !C(O)CCC=CC, InChI=1S/C6H12O/c1-2-3-4-5-6-7/h2-3,7H,4-6H2,1H3
C6H10OH1-4,3  !C(O)C[CH]C=CC, InChI=1S/C6H11O/c1-2-3-4-5-6-7/h2-4,7H,5-6H2,1H3
C6H10OH1-4,3O  !C(O)CC([O])C=CC, InChI=1S/C6H11O2/c1-2-3-6(8)4-5-7/h2-3,6-7H,4-5H2,1H3
C6H11OH1-5  !C(O)CCCC=C, InChI=1S/C6H12O/c1-2-3-4-5-6-7/h2,7H,1,3-6H2
C6H10OH1-5,4  !C(O)CC[CH]C=C, InChI=1S/C6H11O/c1-2-3-4-5-6-7/h2-3,7H,1,4-6H2
C6H10OH1-5,4O  !C(O)CCC([O])C=C, InChI=1S/C6H11O2/c1-2-6(8)4-3-5-7/h2,6-7H,1,3-5H2

C6H11OH1Q2-1
C6H11OH1Q2-3
C6H11OH1Q2-4
C6H11OH1Q2-5
C6H11OH1Q2-6
C6H11OH2Q1-2
C6H11OH2Q1-3
C6H11OH2Q1-4
C6H11OH2Q3-1
C6H11OH2Q3-2
C6H11OH2Q3-4
C6H11OH2Q3-5
C6H11OH2Q3-6
C6H11OH3Q2-1
C6H11OH3Q2-3
C6H11OH3Q2-4
C6H11OH3Q2-5
C6H11OH1Q5-2  !C(O)[CH]CCC(OO)C, InChI=1S/C6H13O3/c1-6(9-8)4-2-3-5-7/h3,6-8H,2,4-5H2,1H3
C6H11OH1Q5-3  !C(O)C[CH]CC(OO)C, InChI=1S/C6H13O3/c1-6(9-8)4-2-3-5-7/h2,6-8H,3-5H2,1H3
C6H11OH1Q6-2  !C(O)[CH]CCCC(OO), InChI=1S/C6H13O3/c7-5-3-1-2-4-6-9-8/h3,7-8H,1-2,4-6H2
C6H11OH1Q6-3  !C(O)C[CH]CCC(OO), InChI=1S/C6H13O3/c7-5-3-1-2-4-6-9-8/h1,7-8H,2-6H2
C6H11OH1Q6-4  !C(O)CC[CH]CC(OO), InChI=1S/C6H13O3/c7-5-3-1-2-4-6-9-8/h2,7-8H,1,3-6H2

C6H11OH1O1-2
C6H11OH1O2-3
C6H11OH1O2-4
C6H11OH1O2-5
C6H11OH1O2-6
C6H11OH1O3-5  !C(O)CC(O1)CC1C, InChI=1S/C6H12O2/c1-5-4-6(8-5)2-3-7/h5-7H,2-4H2,1H3
C6H11OH1O3-6  !C(O)CC(O1)CCC1, InChI=1S/C6H12O2/c7-4-3-6-2-1-5-8-6/h6-7H,1-5H2
C6H11OH1O4-6  !C(O)CCC(O1)CC1, InChI=1S/C6H12O2/c7-4-1-2-6-3-5-8-6/h6-7H,1-5H2
C6H11OH2O1-2
C6H11OH2O1-3
C6H11OH2O1-4
C6H11OH2O3-6  !CC(O)C(O1)CCC1, InChI=1S/C6H12O2/c1-5(7)6-3-2-4-8-6/h5-7H,2-4H2,1H3

C6H11OH1Q2-3O2
C6H11OH1Q2-4O2
C6H11OH1Q2-5O2
C6H11OH2Q1-3O2
C6H11OH2Q1-4O2
!C6H11OH2Q3-2O2
!C6H11OH3Q2-3O2

C6H103OH1Q2
C6H104OH1Q2
C6H105OH1Q2
!DONG 0903!C6H102OH2Q1
C6H103OH2Q1
C6H104OH2Q1

C6H94OH1Q2-3  !C(O)C(OO)[CH]C=CC, 
C6H94OH1-2,3OOH  !C(O)C(OO)C(OO)C=CC, 
C6H94OH1Q2-3O  !C(O)C(OO)C([O])C=CC, 
C6H95OH1Q2-4  !C(O)C(OO)C[CH]C=C, 
C6H95OH1-2,4OOH  !C(O)C(OO)CC(OO)C=C, 
C6H95OH1Q2-4O  !C(O)C(OO)CC([O])C=C, 
!DONG 0903!C6H102OH2-1O  !C([O])C(O)=CCCC, 
!DONG 0903!PC5H8OH-1  ![C](O)=CCCC, 
!DONG 0903!NC3H7CHCO
C6H94OH2Q1-3  !C(OO)C(O)[CH]C=CC, 
C6H94OH2-1,3OOH  !C(OO)C(O)C(OO)C=CC, 
C6H94OH2Q1-3O  !C(OO)C(O)C([O])C=CC, 
!DONG 220624!HO2CHOH  !C(OO)[CH](O), =>CH2COOHCHOH

C6H10OH1KET2-3
C6H10OH1KET2-4
C6H10OH1KET2-5
C6H10OH2KET1-3
C6H10OH2KET1-4

C6H11O1O2-5  !C([O])C(O1)CCC1C, InChI=1S/C6H11O2/c1-5-2-3-6(4-7)8-5/h5-6H,2-4H2,1H3
C6H10OH11O2-5  ![CH](O)C(O1)CCC1C, InChI=1S/C6H11O2/c1-5-2-3-6(4-7)8-5/h4-7H,2-3H2,1H3
MTHF-J5  ![CH](O1)CCC1C, InChI=1S/C5H9O/c1-5-3-2-4-6-5/h4-5H,2-3H2,1H3
DMTHFCHO  !C(=O)C(O1)CCC1C, InChI=1S/C6H10O2/c1-5-2-3-6(4-7)8-5/h4-6H,2-3H2,1H3
DMTHFCO  ![C](=O)C(O1)CCC1C, InChI=1S/C6H9O2/c1-5-2-3-6(4-7)8-5/h5-6H,2-3H2,1H3

C6H10OH1O2-5-2J !C(O)[C]1CCC(O1)C, InChI=1S/C6H11O2/c1-5-2-3-6(4-7)8-5/h5,7H,2-4H2,1H3
C6H10OH1O2-5-3J  !C(O)C(O1)[CH]CC1C, InChI=1S/C6H11O2/c1-5-2-3-6(4-7)8-5/h3,5-7H,2,4H2,1H3
C6H10OH1O2-5-4J  !C(O)C(O1)C[CH]C1C, InChI=1S/C6H11O2/c1-5-2-3-6(4-7)8-5/h2,5-7H,3-4H2,1H3
C6H10OH1O2-5-5J !C(O)C1CC[C](O1)C, InChI=1S/C6H11O2/c1-5-2-3-6(4-7)8-5/h6-7H,2-4H2,1H3
C6H10OH1O2-5-6J  !C(O)C(O1)CCC1[CH2], InChI=1S/C6H11O2/c1-5-2-3-6(4-7)8-5/h5-7H,1-4H2

NC6KET2OH1-5  !C(O)C(=O)CC[CH]C, InChI=1S/C6H11O2/c1-2-3-4-6(8)5-7/h2,7H,3-5H2,1H3
NC6KET5OH1-2  !C(O)[CH]CCC(=O)C, InChI=1S/C6H11O2/c1-6(8)4-2-3-5-7/h3,7H,2,4-5H2,1H3
C6H10OH1O2-5-2O2  !C(O)C(O1)(O[O])CCC1C, InChI=1S/C6H11O4/c1-5-2-3-6(4-7,9-5)10-8/h5,7H,2-4H2,1H3
!DONG 0318!C6H10OH1O2-5-5O2  !C(O)C(O1)CCC1(O[O])C, InChI=1S/C6H11O4/c1-6(10-8)3-2-5(4-7)9-6/h5,7H,2-4H2,1H3
C6H9OH1O2-5-D2  !C(O)C(O1)=CCC1C, InChI=1S/C6H10O2/c1-5-2-3-6(4-7)8-5/h3,5,7H,2,4H2,1H3

DMTHFOH1D2-4J  !C(O)C(O1)=C[CH]C1C, InChI=1S/C6H9O2/c1-5-2-3-6(4-7)8-5/h2-3,5,7H,4H2,1H3
DMTHFOH1D2-4  !C(O)C(O1)=CC=C1C, InChI=1S/C6H8O2/c1-5-2-3-6(4-7)8-5/h2-3,7H,4H2,1H3

DMTHFOH1D2-4-1J  !CC1=CC=C([CH]O)O1, 
DMTHFOH1D2-4-1OJ  !C(O)([O])C(O1)=CC=C1C, InChI=1S/C6H7O3/c1-4-2-3-5(9-4)6(7)8/h2-3,6-7H,1H3

MF25J
P13DE1O4J

NC5H11CHO
NC5H11CO
NC5H10CHO-1
NC5H10CHO-5
NC5H10CHO-3
NC5H10CHO-4
NC5H10CHO-2

!\PYROSPEC

!------------------------------------------------------------------------------

!------------------------------------------------------------------------------
!\SUBMECH: CHX: CYCLOHEXANE
!------------------------------------------------------------------------------
CHX
CHXRAD
CHXO2J
CHX1Q3J
CYCHEXENE
HEX5ENAL
CYHX1N3OJ
HX5ENAL2J
HX5ENAL4J
CYHX1EN3Q
CYHX1N3J
HX5ENAL1J
HX5ENAL3J
HX2N1AL6J
C6Y1D2-6OOJ
C6Y1D2-6OO-4J
C6D2Y1Q6-4QJ
C6D2Y16Q4

!------------------------------------------------------------------------------

!------------------------------------------------------------------------------
!\SUBMECH: IC6
!------------------------------------------------------------------------------
IC6
IC6-1
IC6-5
IC6D4
IC6D1-5
IC6D4-1
IC6OH2-1J
IC6OH4-3J
IC6OH2-1O2
IC6OH4-3O2
IC6-3OOH
IC6-2O2
IC6-1O
IC6-5O
IC6OOH1-4
IC6OOH2-4
IC6OOH3-4
IC6OOH4-3
IC6OOH5-3
IC6O1-3
IC6O2-4
IC6O4-5
IC6OOH1-4O2
IC6OOH2-4O2
IC6OOH3-4O2
IC6OOH4-3O2
IC6OOH5-3O2
IC6Q12-3
IC6Q14-3
IC6Q23-1
IC6Q24-5
IC6Q34-2
IC6Q45-3
IC6KET1-4
IC6KET3-4
IC6KET4-3
IC6KET5-3
IC6D1-4OOH
IC6D2-5OOH
IC6D4-1OOH
IC6O12-1AOOH
IC6O13-2OOH
IC6O14-5OOH
IC6O23-4OOH
IC6O24-5OOH
IC6O34-1OOH
IC6O45-2OOH
SC4H9CHO
IC6Q11A-5
IC6Q13-5
IC6Q23-5
IC6Q45-2
C5H9O23-4
IC6O13-1AOOH
IC6O15-3OOH
IC6O35-1OOH
!DONG 0423!A-AC5H10O-DJ
C5H92-5O
IC6KET1-4O
IC6KET3-4O
IC6KET4-3O
IC6KET5-3O
IC6-2
IC6D1
IC6D1-1A
IC6D2-5
IC6D4-2
IC6OH2-3J
IC6OH4-5J
IC6OH2-3O2
IC6OH4-5O2
IC6D4-3O
IC6-4OOH
IC6-3O2
IC6-2O
IC6OOH1-1A
IC6OOH1-5
IC6OOH2-5
IC6OOH3-5
IC6OOH4-5
IC6OOH5-4
IC6O1-4
IC6O2-5
IC6OOH1-1AO2
IC6OOH1-5O2
IC6OOH2-5O2
IC6OOH3-5O2
IC6OOH4-5O2
IC6OOH5-4O2
IC6Q13-2
IC6Q14-5
IC6Q23-4
IC6Q25-1
IC6Q34-5
IC6KET1-1A
IC6KET1-5
IC6KET3-5
IC6KET4-5
IC6KET5-4
IC6D1-5OOH
IC6D3-1OOH
IC6D4-2OOH
IC6O12-3OOH
IC6O13-4OOH
IC6O15-2OOH
IC6O23-5OOH
IC6O25-1OOH
IC6O34-2OOH
IC6O45-3OOH
IC6D1-1AO
IC6Q12-4
IC6Q14-1A
IC6Q34-1
IC5Y3
C5H9O12-4
IC6O14-1AOOH
IC6O13-5OOH
CC5H9-AO
A-BC5H10O-DJ
IC6KET1-1AO
IC6KET1-5O
IC6KET3-5O
IC6KET4-5O
IC6KET5-4O
IC6-3
IC6D2
IC6D1-3
IC6D3-1
IC6D4-3
IC6OH3-2J
IC6OH5-4J
IC6OH3-2O2
IC6OH5-4O2
IC6-1OOH
IC6-5OOH
IC6-4O2
IC6-3O
IC6OOH1-2
IC6OOH2-1
IC6OOH3-1
IC6OOH4-1
IC6OOH5-1
IC6O1-1A
IC6O1-5
IC6O3-4
IC6OOH1-2O2
IC6OOH2-1O2
IC6OOH3-1O2
IC6OOH4-1O2
IC6OOH5-1O2
IC6Q11A-2
IC6Q13-4
IC6Q15-2
IC6Q24-1
IC6Q25-3
IC6Q35-2
IC6KET1-2
IC6KET3-1
IC6KET4-1
IC6KET5-1
IC6D1-1AOOH
IC6D2-1OOH
IC6D3-2OOH
IC6D4-3OOH
IC6O12-4OOH
IC6O14-2OOH
IC6O15-4OOH
IC6O24-1OOH
IC6O25-3OOH
IC6O34-5OOH
IC4H9CO
IC6Q11A-3
IC6Q12-5
IC6Q15-1A
IC6Q35-1
IC6O35-2OOH
IC3H7CHCO
IC6O15-1AOOH
IC6O11A-4OOH
!DONG 0423!C5H9O2-5
C5H91-5O
IC6KET1-2O
IC6KET3-1O
IC6KET4-1O
IC6KET5-1O
IC6-4
IC6D1-4
IC6OH1-2J
IC6OH3-4J
IC6OH1-2O2
IC6OH3-4O2
IC6D1-3O
IC6-2OOH
IC6-1O2
IC6-5O2
IC6-4O
IC6OOH1-3
IC6OOH2-3
IC6OOH3-2
IC6OOH4-2
IC6OOH5-2
IC6O1-2
IC6O2-3
IC6O3-5
IC6OOH1-3O2
IC6OOH2-3O2
IC6OOH3-2O2
IC6OOH4-2O2
IC6OOH5-2O2
IC6Q12-1A
IC6Q14-2
IC6Q15-4
IC6Q24-3
IC6Q25-4
IC6Q35-4
IC6KET1-3
IC6KET3-2
IC6KET4-2
IC6KET5-2
IC6D1-3OOH
IC6D2-4OOH
IC6D3-5OOH
IC6O11A-2OOH
IC6O12-5OOH
IC6O14-3OOH
IC6O23-1OOH
IC6O24-3OOH
IC6O25-4OOH
IC6O45-1OOH
IC6D13
IC6Q11A-4
IC6Q13-1A
IC6Q15-3
IC6Q45-1
IC6O35-4OOH
!DONG 0423!IC5O23-4J
IC6O11A-3OOH
IC6O11A-5OOH
CC4H7O-IJ
C5H91-4O
IC6KET1-3O
IC6KET3-2O
IC6KET4-2O
IC6KET5-2O
I3C6
I3C6-2
I3C6D2
I3C6D1-5
I3C6D3-1
I3C6OH2-3J
I3C6OH1-2O2
I3C6OH3-4O2
I3C6D1-5O
I3C6D3-1O
I3C6-2OOH
I3C6-4OOH
I3C6-3O
I3C6OOH1-4
I3C6OOH2-3
I3C6OOH3-1
I3C6OOH4-2
I3C6O1-4
I3C6O2-4
I3C6OOH1-3O2
I3C6OOH2-1O2
I3C6OOH2-6O2
I3C6OOH4-1O2
I3C6KET1-3
I3C6KET2-1
I3C6KET2-6
I3C6D1-3OOH
I3C6D2-1OOH
I3C6D3-1OOH
I3C6Q12-5
I3C6Q13-5
I3C6Q14-5
I3C6Q15-4
I3C6Q16-4
I3C6Q23-6
I3C6Q24-6
I3C6Q34-1
I3C6O12-5OOH
I3C6O13-5OOH
I3C6O14-5OOH
I3C6O15-4OOH
I3C6O16-4OOH
I3C6O23-6OOH
I3C6O24-6OOH
I3C6O34-1OOH
!DONG 0423!IC5O34-1J
SC4H8CHO-1
I3C6KET1-3O
I3C6KET2-1O
I3C6KET2-6O
I3C6-1
I3C6-3
I3C6D3
I3C6D1-6
I3C6D3-2
I3C6OH3-2J
I3C6OH2-1O2
I3C6OH4-3O2
I3C6D1-6O
I3C6D3-2O
I3C6-2O2
I3C6-4O2
I3C6-4O
I3C6OOH1-5
I3C6OOH2-4
I3C6OOH3-2
I3C6OOH4-3
I3C6O1-5
I3C6O2-5
I3C6OOH1-4O2
I3C6OOH2-3O2
I3C6OOH3-1O2
I3C6OOH4-2O2
I3C6KET1-4
I3C6KET2-3
I3C6KET4-1
I3C6D1-4OOH
I3C6D2-4OOH
I3C6D3-2OOH
I3C6Q12-6
I3C6Q13-6
I3C6Q14-6
I3C6Q15-6
I3C6Q23-1
I3C6Q24-1
I3C6Q25-1
I3C6Q34-2
I3C6O12-6OOH
I3C6O13-6OOH
I3C6O14-6OOH
I3C6O15-6OOH
I3C6O23-1OOH
I3C6O24-1OOH
I3C6O25-1OOH
I3C6O34-2OOH
C5H9O15-3
SC4H8CHO-2
I3C6KET1-4O
I3C6KET2-3O
I3C6KET4-1O
I3C6-4
I3C6D2-5
I3C6OH1-2J
I3C6OH3-4J
I3C6OH2-3O2
I3C6D2-5O
I3C6-1OOH
I3C6-3OOH
I3C6-1O
I3C6OOH1-2
I3C6OOH1-6
I3C6OOH2-5
I3C6OOH3-4
I3C6O1-2
I3C6O1-6
I3C6O3-4
I3C6OOH1-5O2
I3C6OOH2-4O2
I3C6OOH3-2O2
I3C6OOH4-3O2
I3C6KET1-5
I3C6KET2-4
I3C6KET4-2
I3C6D1-5OOH
I3C6D2-5OOH
I3C6Q12-3
I3C6Q13-2
I3C6Q14-2
I3C6Q15-2
I3C6Q16-2
I3C6Q23-4
I3C6Q24-3
I3C6Q25-3
I3C6O12-3OOH
I3C6O13-2OOH
I3C6O14-2OOH
I3C6O15-2OOH
I3C6O16-2OOH
I3C6O23-4OOH
I3C6O24-3OOH
I3C6O25-3OOH
IC5Y3-1J
AC5H9O-D
SC4H8CHO-3
I3C6KET1-5O
I3C6KET2-4O
I3C6KET4-2O
I3C6D1-4
I3C6D2-6
I3C6OH2-1J
I3C6OH4-3J
I3C6OH3-2O2
I3C6D1-4O
I3C6D2-6O
I3C6-1O2
I3C6-3O2
I3C6-2O
I3C6OOH1-3
I3C6OOH2-1
I3C6OOH2-6
I3C6OOH4-1
I3C6O1-3
I3C6O2-3
I3C6OOH1-2O2
I3C6OOH1-6O2
I3C6OOH2-5O2
I3C6OOH3-4O2
I3C6KET1-2
I3C6KET1-6
I3C6KET2-5
I3C6KET4-3
I3C6D1-6OOH
I3C6D2-6OOH
I3C6Q12-4
I3C6Q13-4
I3C6Q14-3
I3C6Q15-3
I3C6Q16-3
I3C6Q23-5
I3C6Q24-5
I3C6Q25-4
I3C6O12-4OOH
I3C6O13-4OOH
I3C6O14-3OOH
I3C6O15-3OOH
I3C6O16-3OOH
I3C6O23-5OOH
I3C6O24-5OOH
I3C6O25-4OOH
SC4H9CO
I3C6KET1-2O
I3C6KET1-6O
I3C6KET2-5O
I3C6KET4-3O
NEC6
NEC6D3
NEC6OH3-4O2
NEC6-3OOH
NEC6-1O
NEC6OOH1-3
NEC6OOH4-1
NEC6O1-4
NEC6OOH1-4O2
NEC6OOH4-3O2
NEC6KET3-1
NEC6D3-1OOH
NEC6Q13-1A
NEC6Q34-1
NEC6KET3-1O
NEC6O11A-1BOOH
NEC6O13-4OOH
TC4H9CHO
NEC6-1
NEC6D3-1
NEC6OH4-3O2
NEC6-3O2
NEC6-3O
NEC6OOH1-4
NEC6OOH4-3
NEC6O3-4
NEC6OOH3-1O2
NEC6KET1-1A
NEC6KET3-4
NEC6Q11A-1B
NEC6Q13-4
NEC6KET1-1AO
NEC6KET3-4O
NEC6O11A-3OOH
NEC6O14-1AOOH
TC4H9CO
NEC6-3
NEC6OH3-4J
NEC6-1OOH
NEC6-4OOH
NEC6-4O
NEC6OOH3-1
NEC6O1-1A
NEC6OOH1-1AO2
NEC6OOH3-4O2
NEC6KET1-3
NEC6KET4-1
NEC6Q11A-3
NEC6Q14-1A
NEC6KET1-3O
NEC6KET4-1O
NEC6O11A-4OOH
NEC6O14-3OOH
IC5Y3-2J
NEC6-4
NEC6OH4-3J
NEC6-1O2
NEC6-4O2
NEC6OOH1-1A
NEC6OOH3-4
NEC6O1-3
NEC6OOH1-3O2
NEC6OOH4-1O2
NEC6KET1-4
NEC6KET4-3
NEC6Q11A-4
NEC6Q14-3
NEC6KET1-4O
NEC6KET4-3O
NEC6O13-1AOOH
NEC6O34-1OOH
XC6
XC6-1
XC6D1-1A
XC6OH2-3J
XC6-1OOH
XC6-1O
XC6OOH1-3
XC6OOH2-4
XC6O1-4
XC6OOH1-3O2
XC6OOH2-4O2
XC6KET1-4
XC6D1-3OOH
XC6Q12-1A
XC6Q13-2
XC6Q23-1
XC6KET1-4O
XC6O12-1AOOH
XC6O13-2OOH
XC6O23-1OOH
XC6D1-3O
DC5H10O
XC6D13-1AR
XC6-2
XC6D1-3
XC6OH1-2O2
XC6-1O2
XC6-2O
XC6OOH1-4
XC6O1-1A
XC6O2-3
XC6OOH1-4O2
XC6KET1-1A
XC6D1-1AOOH
XC6Q11A-2
XC6Q12-3
XC6Q13-4
XC6KET1-1AO
XC6O11A-2OOH
XC6O12-3OOH
XC6O13-4OOH
C4H72-2CHO
DC5H9O-C
C6H11-1D5O
XC6D1
XC6OH1-2J
XC6OH2-1O2
XC6-2OOH
XC6OOH1-1A
XC6OOH2-1
XC6O1-2
XC6OOH1-1AO2
XC6OOH2-1O2
XC6KET1-2
XC6D2-1OOH
XC6Q11A-3
XC6Q12-4
XC6Q14-1A
XC6KET1-2O
XC6O11A-3OOH
XC6O12-4OOH
XC6O14-1AOOH
XC6D1-4
IC3H7COCH2
XC6D2
XC6OH2-1J
XC6OH2-3O2
XC6-2O2
XC6OOH1-2
XC6OOH2-3
XC6O1-3
XC6OOH1-2O2
XC6OOH2-3O2
XC6KET1-3
XC6D1-4OOH
XC6Q11A-4
XC6Q13-1A
XC6Q14-2
XC6KET1-3O
XC6O11A-4OOH
XC6O13-1AOOH
XC6O14-2OOH
XC6D1-1AO
IC6D13-1AR
DC5H9O-B
IC5D2Y4
IC5D2Y4-1J  !DONG 0423
IC5D2Y4-4J  !DONG 0423
IC5Y4OH2-3J  !DONG 0423
IC5Y4OH3-2J
IC5Y4OH2-3O2
IC5Y4OH3-2O2
IC5Y4OOH2-3J
IC5Y4OOH3-2J
IC5CHO1-3O
IC5D1Y4-3OJ
IC5D2Y4-1OJ
IC5D1Y4-3OOH
IC5D2Y4-1OOH
IC5D2Y14

NC5D124-5R
IC6D14
I3C6D15
I3C6D15-3
C6Y2-1J
C2H5CO3
C2H5CO3H
IC6D13-5R
DC5H9O-A
IC6D14-1
I3C6D25
I3C6D15-4
IC6D24
C4H8CHO4-2
I3C6D13
I3C6D13-5
XC6D13
NC5D124
I3C6D13-6
!------------------------------------------------------------------------------
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\END_SPECIES_MODULE: C6
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\SPECIES_MODULE: C7
!\MODCOMMENTS: IC4H7CHO IS UNIQUE DECOMPOSITION PRODUCT OF H15DE2M, SO IS NOT INCLUDED IN C4 MECHANISM YET.
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!------------------------------------------------------------------------------
!\SUBMECH: NC7H16
!------------------------------------------------------------------------------
!\LTOXID
C7H15OOH-1
C7H15OOH-2
C7H15OOH-3
C7H15OOH-4
C7H15-1O2
C7H15-2O2
C7H15-3O2
C7H15-4O2
C7H15-1O
C7H15-2O
C7H15-3O
C7H15-4O
C7H14OOH1-2
C7H14OOH1-3
C7H14OOH1-4
C7H14OOH1-5
C7H14OOH2-1
C7H14OOH2-3
C7H14OOH2-4
C7H14OOH2-5
C7H14OOH2-6
C7H14OOH3-1
C7H14OOH3-2
C7H14OOH3-4
C7H14OOH3-5
C7H14OOH3-6
C7H14OOH3-7
C7H14OOH4-1
C7H14OOH4-2
C7H14OOH4-3
C7H14O1-2
C7H14O1-3
C7H14O1-4
C7H14O1-5
C7H14O2-3
C7H14O2-4
C7H14O2-5
C7H14O2-6
C7H14O3-4
C7H14O3-5
C7H14OOH1-2O2
C7H14OOH1-3O2
C7H14OOH1-4O2
C7H14OOH1-5O2
C7H14OOH2-1O2
C7H14OOH2-3O2
C7H14OOH2-4O2
C7H14OOH2-5O2
C7H14OOH2-6O2
C7H14OOH3-1O2
C7H14OOH3-2O2
C7H14OOH3-4O2
C7H14OOH3-5O2
C7H14OOH3-6O2
C7H14OOH3-7O2
C7H14OOH4-1O2
C7H14OOH4-2O2
C7H14OOH4-3O2
C7H13Q12-3
C7H13Q12-4
C7H13Q12-5
C7H13Q12-6
C7H13Q13-2
C7H13Q13-4
C7H13Q13-5
C7H13Q13-6
C7H13Q13-7
C7H13Q14-2
C7H13Q14-3
C7H13Q14-5
C7H13Q14-6
C7H13Q14-7
C7H13Q15-2
C7H13Q15-3
C7H13Q15-4
C7H13Q15-6
C7H13Q15-7
C7H13Q23-1
C7H13Q23-4
C7H13Q23-5
C7H13Q23-6
C7H13Q23-7
C7H13Q24-1
C7H13Q24-3
C7H13Q24-5
C7H13Q24-6
C7H13Q24-7
C7H13Q25-1
C7H13Q25-3
C7H13Q25-4
C7H13Q25-6
C7H13Q25-7
C7H13Q26-1
C7H13Q26-3
C7H13Q26-4
C7H13Q34-1
C7H13Q34-2
C7H13Q34-5
C7H13Q34-6
C7H13Q34-7
C7H13Q35-1
C7H13Q35-2
C7H13Q35-4
C7KET12
C7KET13
C7KET14
C7KET15
C7KET21
C7KET23
C7KET24
C7KET25
C7KET26
C7KET31
C7KET32
C7KET34
C7KET35
C7KET36
C7KET37
C7KET41
C7KET42
C7KET43
C7H13-1D3OOH
C7H13-1D4OOH
C7H13-1D5OOH
C7H13-1D6OOH
C7H13-2D1OOH
C7H13-2D4OOH
C7H13-2D5OOH
C7H13-2D6OOH
C7H13-2D7OOH
C7H13-3D1OOH
C7H13-3D2OOH
C7H13-3D5OOH
C7H13-3D6OOH
C7H13-3D7OOH
C7H13O12-3OOH
C7H13O12-4OOH
C7H13O12-5OOH
C7H13O12-6OOH
C7H13O13-2OOH
C7H13O13-4OOH
C7H13O13-5OOH
C7H13O13-6OOH
C7H13O13-7OOH
C7H13O14-2OOH
C7H13O14-3OOH
C7H13O14-5OOH
C7H13O14-6OOH
C7H13O14-7OOH
C7H13O15-2OOH
C7H13O15-3OOH
C7H13O15-4OOH
C7H13O15-6OOH
C7H13O15-7OOH
C7H13O23-1OOH
C7H13O23-4OOH
C7H13O23-5OOH
C7H13O23-6OOH
C7H13O23-7OOH
C7H13O24-1OOH
C7H13O24-3OOH
C7H13O24-5OOH
C7H13O24-6OOH
C7H13O24-7OOH
C7H13O25-1OOH
C7H13O25-3OOH
C7H13O25-4OOH
C7H13O25-6OOH
C7H13O25-7OOH
C7H13O26-1OOH
C7H13O26-3OOH
C7H13O26-4OOH
C7H13O34-1OOH
C7H13O34-2OOH
C7H13O34-5OOH
C7H13O34-6OOH
C7H13O34-7OOH
C7H13O35-1OOH
C7H13O35-2OOH
C7H13O35-4OOH
C7KET12O
C7KET13O
C7KET14O
C7KET15O
C7KET21O
C7KET23O
C7KET24O
C7KET25O
C7KET26O
C7KET31O
C7KET32O
C7KET34O
C7KET35O
C7KET36O
C7KET37O
C7KET41O
C7KET42O
C7KET43O
C7Y24
C7Y13
C7Y35
C7H14OOH1-2O
C7H14OOH1-3O
C7H14OOH1-4O
C7H14OOH1-5O
C7H14OOH2-1O
C7H14OOH2-3O
C7H14OOH2-4O
C7H14OOH2-5O
C7H14OOH2-6O
C7H14OOH3-1O
C7H14OOH3-2O
C7H14OOH3-4O
C7H14OOH3-5O
C7H14OOH3-6O
C7H14OOH3-7O
C7H14OOH4-1O
C7H14OOH4-2O
C7H14OOH4-3O
C6H11O13-6
C6H11O14-6
C6H11O15-6
C6H11O23-1
C6H11O23-6
C6H11O24-1
C6H11O24-6
C6H11O34-1
C6Y3-6J
C6Y3-1J
C6Y2
!\PYROSPEC
NC7H16
C7H15-1
C7H15-2
C7H15-3
C7H15-4
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: C7H14-1\C7H14-2\C7H14-3
!------------------------------------------------------------------------------
!\LTOXID
C8H16-3
C8H153-2  !DONG 0423, C[CH]C=CCCCC	InChI=1S/C8H15/c1-3-5-7-8-6-4-2/h3,5,7H,4,6,8H2,1-2H3
C8H153-5  !DONG 0423, CCC=C[CH]CCC	InChI=1S/C8H15/c1-3-5-7-8-6-4-2/h5,7-8H,3-4,6H2,1-2H3
C8H152-4OOH  !DONG 0423, CC=CC(OO)CCCC	InChI=1S/C8H16O2/c1-3-5-7-8(10-9)6-4-2/h4,6,8-9H,3,5,7H2,1-2H3
C8H152-4O  !DONG 0423, CC=CC([O])CCCC	InChI=1S/C8H15O/c1-3-5-7-8(9)6-4-2/h4,6,8H,3,5,7H2,1-2H3
C8H153-5OOH  !DONG 0423, CCC=CC(OO)CCC	InChI=1S/C8H16O2/c1-3-5-7-8(10-9)6-4-2/h5,7-9H,3-4,6H2,1-2H3
C8H153-5O  !DONG 0423, CCC=CC([O])CCC	InChI=1S/C8H15O/c1-3-5-7-8(9)6-4-2/h5,7-8H,3-4,6H2,1-2H3
I3C8D1  !DONG 0423, C=CC(C)CCCC	InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h5,8H,2,4,6-7H2,1,3H3
I3C8D1-3  !DONG 0423, C=C[C](C)CCCC	InChI=1S/C8H15/c1-4-6-7-8(3)5-2/h5H,2,4,6-7H2,1,3H3
I3C8D1-3O  !DONG 0423, C=CC([O])(C)CCCC	InChI=1S/C8H15O/c1-4-6-7-8(3,9)5-2/h5H,2,4,6-7H2,1,3H3

I2C8D3  !DONG 0423, CC(C)C=CCCC	InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h6-8H,4-5H2,1-3H3
I2C8D3-2  !DONG 0423, C[C](C)C=CCCC	InChI=1S/C8H15/c1-4-5-6-7-8(2)3/h6-7H,4-5H2,1-3H3
I2C8D2-4O  !DONG 0423, CC(C)=CC([O])CCC	InChI=1S/C8H15O/c1-4-5-8(9)6-7(2)3/h6,8H,4-5H2,1-3H3

I4C8D2  !DONG 0423, CC=CC(C)CCC	InChI=1S/C8H16/c1-4-6-8(3)7-5-2/h4,6,8H,5,7H2,1-3H3
I4C8D2-4  !DONG 0423, CC=C[C](C)CCC	InChI=1S/C8H15/c1-4-6-8(3)7-5-2/h4,6H,5,7H2,1-3H3
I4C8D2-4O  !DONG 0423, CC=CC(C)([O])CCC	InChI=1S/C8H15O/c1-4-6-8(3,9)7-5-2/h4,6H,5,7H2,1-3H3

C7H13-1D3O
C7H13-2D1O
C7H13-2D4O
C7H13-3D5O
C7H14OH-1J2
C7H14OH-2J1
C7H14OH-2J3
C7H14OH-3J2
C7H14OH-3J4
C7H14OH-4J3
C7H14OH-1O2-2
C7H14OH-2O2-1
C7H14OH-2O2-3
C7H14OH-3O2-2
C7H14OH-3O2-4
C7H14OH-4O2-3
C7H13OH1Q2-1
C7H13OH1Q2-3
C7H13OH1Q2-4
C7H13OH1Q2-5
C7H13OH1Q2-6
C7H13OH2Q1-2
C7H13OH2Q1-3
C7H13OH2Q1-4
C7H13OH1-1
C7H13OH1-2
C7H13OH2-1
C7H13OH1O1-2
C7H13OH1O2-3
C7H13OH1O2-4
C7H13OH1O2-5
C7H13OH1O2-6
C7H13OH2O1-2
C7H13OH2O1-3
C7H13OH2O1-4
C7H13OH1Q2-3O2
C7H13OH1Q2-4O2
C7H13OH1Q2-5O2
C7H13OH1Q2-6O2
C7H13OH2Q1-3O2
C7H13OH2Q1-4O2
C7H123OH1Q2
C7H124OH1Q2
C7H125OH1Q2
C7H122OH2Q1
C7H123OH2Q1
C7H124OH2Q1
C7H13OH1KET2-3
C7H13OH1KET2-4
C7H13OH1KET2-5
C7H13OH2KET1-3
C7H13OH2KET1-4
C7H131-1O2
C7H131-2O2
C7H131-3O2
C7H131-4O2
C7H131-5O2
C7H131-6O2
C7H131-7O2
C7H121OOH3-1
C7H121OOH3-4
C7H121OOH3-5
C7H121OOH3-6
C7H121OOH4-1
C7H121OOH4-2
C7H121OOH4-3
C7H121OOH4-5
C7H121OOH4-6
C7H121OOH4-7
C7H121OOH5-2
C7H121OOH5-3
C7H121OOH5-4
C7H121OOH5-6
C7H121OOH5-7
C7H121OOH6-3
C7H121OOH6-4
C7H121OOH6-5
C7H121OOH6-7
C7H121OOH7-4
C7H121OOH7-5
C7H121OOH7-6
!DONG 0423!C7H122OOH4-2
!DONG 0423!C7H122OOH5-3
!DONG 0423!C7H122OOH5-2
C7H121-3,4OOH
C7H121O-3-4OOH
C7H121-3,5OOH
C7H121O-3-5OOH
C7H121-3,6OOH
C7H121O-3-6OOH
C7H121O2-4
C7H121O3-4
C7H121O3-5
C7H121O3-6
C7H121O4-5
C7H121O4-6
C7H121O4-7
C7H121O5-6
C7H121O5-7
C7H121O6-7
C7H121OOH3-4O2
C7H121OOH3-5O2
C7H121OOH3-6O2
C7H121OOH4-3O2
C7H121OOH4-5O2
C7H121OOH4-6O2
C7H121OOH4-7O2
C7H121OOH5-3O2
C7H121OOH5-4O2
C7H121OOH5-6O2
C7H121OOH5-7O2
C7H121OOH6-3O2
C7H121OOH6-4O2
C7H121OOH6-5O2
C7H121OOH6-7O2
C7H121OOH7-4O2
C7H121OOH7-5O2
C7H121OOH7-6O2
!DONG 0423!C7H122OOH4-1O2
!DONG 0423!C7H122OOH6-1O2
C7H11D14-3OOH
C7H11D15-3OOH
C7H11D16-3OOH
C7H11D15-4OOH
C7H11D16-4OOH
C7H11D13-5OOH
C7H11D13-6OOH
C7H11D14-6OOH
C7H11D13-7OOH
C7H11D14-7OOH
C7H11D15-7OOH
C7H121KET34
C7H121KET35
C7H121KET36
C7H121KET43
C7H121KET45
C7H121KET46
C7H121KET47
C7H121KET53
C7H121KET54
C7H121KET56
C7H121KET57
C7H121KET63
C7H121KET64
C7H121KET65
C7H121KET67
C7H121KET74
C7H121KET75
C7H121KET76
C7H121KET34O
C7H121KET35O
C7H121KET36O
C7H121KET43O
C7H121KET45O
C7H121KET46O
C7H121KET47O
C7H121KET53O
C7H121KET54O
C7H121KET56O
C7H121KET57O
C7H121KET63O
C7H121KET64O
C7H121KET65O
C7H121KET67O
C7H121KET74O
!DONG 0329!C7H121KET75O
C7H121KET76O
C7H121-3
C7H121-4
C7H121-5
C7H121-6
CVCCVCCOJCC
CVCCJCVCCC
CVCCOJCVCCC
CVCCJCCVCC
CVCCOJCCVCC
CVCCJCCCVC
CVCCOJCCCVC
C5D2Y1-1R
C4Y1-3OR
C6D2Y1
C6D2Y1-1R
!\PYROSPEC
C7H14-1
C7H14-2
C7H14-3
C7H131-1
C7H131-2
C7H131-3
C7H131-4
C7H131-5
C7H131-6
C7H131-7
C7H132-4
C7H132-5
C7H132-6
C7H132-7
C7H133-1
C7H133-5
C7H133-6
C7H133-7
!------------------------------------------------------------------------------
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\END_SPECIES_MODULE: C7
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\SPECIES_MODULE: C8
!\MODCOMMENTS: IC4H7CHO IS UNIQUE DECOMPOSITION PRODUCT OF H15DE2M, SO IS NOT INCLUDED IN C4 MECHANISM YET.
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!------------------------------------------------------------------------------
!\SUBMECH: H15DE25DM
!------------------------------------------------------------------------------
!\LTOXID
H15DE25DM-AO
H15DE25DM-SO
H15DE2M-T
IC4H7CHO
!\PYROSPEC
H15DE25DM
H15DE25DM-S
H15DE25DM-A
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: C8H141-5,3-4
!------------------------------------------------------------------------------
!\LTOXID

!\PYROSPEC

!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: C8H141-5,3
!------------------------------------------------------------------------------
!\LTOXID

!\PYROSPEC

!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: C8H142-6
!------------------------------------------------------------------------------
!\LTOXID

!\PYROSPEC

!------------------------------------------------------------------------------
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\END_SPECIES_MODULE: C8
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\SPECIES_MODULE: AROMATIC
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!------------------------------------------------------------------------------
!\SUBMECH: CORE_TO_AROMATIC_LINKERS
!------------------------------------------------------------------------------
!\PYROSPEC
L-C6H4
C-C6H4
C6H3
C6H2
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: C6H6
!------------------------------------------------------------------------------
!\HTOXID
C6H5OO
C6H5OOH
!\PYROSPEC
C6H6
FULVENE
C6H5
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: C6H5OH
!------------------------------------------------------------------------------
!\HTOXID
OC6H4OH
O-C6H4O2
P-C6H4O2
O-OC6H5OJ
P-OC6H5OJ
P-C6H3O2
!\PYROSPEC
C6H5OH
C6H5O
C6H4OH
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: C5H6
!------------------------------------------------------------------------------
!\HTOXID
CVCCJCVCOH
CVCCVCCOH
C5H5OH
C5H5O
C5H4OH
C5H4O
C5H3O
CJVCCVCCVO
CVCCVCCJVO
CJVCCVO
!\LTOXID
HOCVCCVO
HOCVCCJVO
OC5H7O
OC4H6O
OC4H5O
O2CCHOOJ
!\PYROSPEC
C5H6
C5H5
C5H6-L
C#CCVCCJ
C5H7
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: C6H5CH3
!------------------------------------------------------------------------------
!\HTOXID
BZCOOH
O-O2C6H4CH3
OC6H4CH2
!\LTOXID
C6H5CH2OO
!\PYROSPEC
C6H5CH3
C6H5CH2
C6H4CH3
C7H6
C7H5
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: C6H5CHO
!------------------------------------------------------------------------------
!\PYROSPEC
C6H5CHO
C6H5CO
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: HOC6H4CH3
!------------------------------------------------------------------------------
!\HTOXID
OCH3C6H4O
HOC6H4CH2O
HOC6H4CHO
HOC6H4CO
!\LTOXID
HOC6H4CH2OOH
HOC6H4CH2OO
!\PYROSPEC
HOC6H4CH3
HOC6H4CH2
OC6H4CH3
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: C6H5CH2OH
!------------------------------------------------------------------------------
!\PYROSPEC
C6H5CH2OH
C6H5CHOH
C6H5CH2O
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: C6H5C2H5
!------------------------------------------------------------------------------
!\LTOXID
C6H5CHOOCH3
C6H5CH2CH2OO
!\PYROSPEC
C6H5C2H5
C6H5C2H
C6H5CHCH3
C6H5CH2CH2
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: C6H5C2H3
!------------------------------------------------------------------------------
!\PYROSPEC
C6H5C2H3
C6H5CCH2
C6H5CHCH
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: C14H14
!------------------------------------------------------------------------------
!\HTOXID
C14H13OOH
!\LTOXID
C14H13OO
C14H12OOH
C14H12O2H-1O2
C14H11O-1O2H
C14H13O
C14H12O
!\PYROSPEC
C14H14
C14H13
C14H12
C14H11
!------------------------------------------------------------------------------
!------------------------------------------------------------------------------
!\SUBMECH: IND
!------------------------------------------------------------------------------
!\PYROSPEC
IND
C10H9
C10H10
C5H5CH3
C9H7
C9H6O
NAPH
NAPH-
NAPHV
NAPHO
FLUORENE
C14H10
C16H10

!------------------------------------------------------------------------------
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\END_SPECIES_MODULE: AROMATIC
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\SPECIES_MODULE: NITROGEN_SUBCHEM
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!------------------------------------------------------------------------------
!\UNDEFINED
NO
HCN
NH3
NH2
NH
N
NNH
N2H4
N2H3
N2H2
H2NN
NH2OH
H2NO
HNOH
HNO
HON
NO2
HONO
HNO2
NO3
HONO2
N2O
HNC
CN
HNCO
HOCN
HCNO
NCO
HNO3
NCN
HNCN
NCNO
NCNOH
HNCNH
NCCN
CH3NO
CH2NO
C2H5NO
CH3CHNO
CH2CHNO
CHCHNO
CH3NO2
CH2NO2
C2H5NO2
CH2CH2NO2
CH3CHNO2
CH3ONO
CH3ONO2
CH3CH2ONO
CH3CH2ONO2
CH3NH2
CH2NH2
CH3NH
CH2NH
H2CN
HCNH
CH3CH2NH2
CH2CH2NH2
CH3CHNH2
CH3CH2NH
CH2CHNH2
CH3CHNH
CH2CHNH
CH2CNH2
CH3CNH
CH3CHN
CHCHNH2
CH3CN
CHCNH2
CH2CNH
CH2CHN
CH2CHN(S)
C-C2H3N
CH2CN
CHCNH
H2NCHO
H2NCO
CH3NHCH3
CH3NHCH2
CH3NCH3
CH3NCH2
CH2NCH2
CH3NCH

!----AM add  C2+NOX, C3+NOx
C2H4ONO  
!DONG 220428, Inert Species!C2H4NO2 
C2H3NO2 HOC2H4NO2
CH3CNO NO2CH2CHO

!DONG 220428, Inert Species!NC3H7NO
!DONG 220428, Inert Species!IC3H7NO 

!----AM add from  C2H2+NOX Flow reactor paper
!OCHCHO same as CHOCHO, OCHCO ,!CHCHOH same as C2H2OH

CH3CHOOH C2-OOQOOH CH3OOCH3 
!HO2CHOH 
!C2-OQOOH

!!AM28October2021
NC3H7NO2 IC3H7NO2 NC3H7ONO IC3H7ONO 
!DONG 220428, Inert Species!NC3H7NO
!DONG 220428, Inert Species!IC3H7NO 
C3H5NO C3H5NO2 CH3CNO2CH2 IC3H7ONO2 NC3H7ONO2

!------------------------------------------------------------------------------
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\END_SPECIES_MODULE: NITROGEN_SUBCHEM
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\SPECIES_MODULE: UNDEFINED
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!------------------------------------------------------------------------------
!\SUBMECH: UNDEFINED
!------------------------------------------------------------------------------
!\UNDEFINED
B13DE2M-3
BUTA123TRIENE
IC5D1T3
IC5D1T3-1J
IC5D1T3-1V
IC5D1T3-4J
IC5T1
IC5T1-3
IC5T1-4
MCP
!------------------------------------------------------------------------------ 
IC8H18         AC8H17
BC8H17         CC8H17         DC8H17         IC8H16         JC8H16
IC8H15         AC8H17O2       BC8H17O2       CC8H17O2
DC8H17O2       AC8H17O2H      BC8H17O2H      CC8H17O2H      DC8H17O2H
AC8H17O        BC8H17O        CC8H17O        DC8H17O        AC8H16OOH-A
AC8H16OOH-B    AC8H16OOH-C    AC8H16OOH-D    BC8H16OOH-C    BC8H16OOH-A
BC8H16OOH-D    CC8H16OOH-D    CC8H16OOH-B    CC8H16OOH-A    DC8H16OOH-C
DC8H16OOH-D    DC8H16OOH-B    DC8H16OOH-A    IC8ETERAA      IC8ETERAB
IC8ETERAC      IC8ETERAD      IC8ETERBC      IC8ETERBD      IC8ETERCD
IC8ETERDD      AC8H16OOH-AO2  AC8H16OOH-BO2  AC8H16OOH-CO2  AC8H16OOH-DO2
BC8H16OOH-CO2  BC8H16OOH-AO2  BC8H16OOH-DO2  CC8H16OOH-DO2  CC8H16OOH-BO2
CC8H16OOH-AO2  DC8H16OOH-CO2  DC8H16OOH-DO2  DC8H16OOH-BO2  DC8H16OOH-AO2
IC8KETAA       IC8KETAB       IC8KETAC       IC8KETAD       IC8KETBA
IC8KETBC       IC8KETBD       IC8KETDA       IC8KETDB       IC8KETDC
IC8KETDD       CC8H16OH-B     BC8H16OH-C     CC8H16OH-BO2   CC8H16O-BO2H
CC8H16OH-D     DC8H16OH-C     BC8H16OH-CO2   BC8H16O-CO2H   CC8H16OH-DO2
CC8H16O-DO2H   DC8H16OH-CO2   DC8H16O-CO2H 
! DIISOBUTYLENE SPECIES:
!JC8H16   IC8H16   
JC8H15-A JC8H15-D 
JC8H15-B !NOTE: JC8H15-B=IC8H15-D, DUE TO RESONANCE.  WE ASSUME THEY ARE THE SAME STRUCTURE.
IC8H15-A
JC8H15O-B JC8H15O-D IC8H15O-D
DMPD13 DMPD13-B NEOC5H11CCH2
TC4H9CHCCH3 MPT124 MPT124J DMPD13-E
DMPD13OH DMPD13OHE DMPD13O DMPD13HO DMPD13CO DMBD13-D
DMPDBO M4PD12-D M4PD12O PD12CO PD12CO-E DMPDBHO 
DMPDBCO MP1CO-C MP1OCO C(CO)2 C(CO)2-A
C2
CC8H15(OOH)2AB   BC8H15(OOH)2AC   DC8H15(OOH)2AC
CC8H15(OOH)2AD   DC8H15(OOH)2BC   CC8H15(OOH)2BD
BC8H15(OOH)2CD   DC8H15(OOH)2CD   CC8H15(OOH)2DD
CC8H15(OOH)AA     AC8H15(OOH)AC    AC8H15(OOH)BC
AC8H15(OOH)CD    DC8H15(OOH)AA    AC8H15(OOH)DD
AC8H15(OOH)AA           BC8H15(OOH)AA           AC8H15(OOH)AB
DC8H15(OOH)AB           BC8H15(OOH)AD           DC8H15(OOH)AD
DC8H15(OOH)BD           AC8H15(OOH)AD           AC8H15(OOH)BD
BC8H15(OOH)DD           A(OOH)ETRAA             A(OOH)ETRAB
B(OOH)ETRAA             B(OOH)ETRAD             A(OOH)ETRBD
D(OOH)ETRAB             D(OOH)ETRAD             A(OOH)ETRDD
D(OOH)ETRBD             B(OOH)ETRDD             D(OOH)ETRAA
XC8OOHA   YC8OOHA    YC8OOHB   XC8OOHD   YC8OOHD
A(OOH)ETRAD  A(OOH)ETRBC  B(OOH)ETRAC  C(OOH)ETRAB   A(OOH)ETRCD
C(OOH)ETRAD  D(OOH)ETRAC  B(OOH)ETRCD  C(OOH)ETRBD   D(OOH)ETRBC
C(OOH)ETRDD  D(OOH)ETRCD  A(OOH)ETRAC  C(OOH)ETRAA 
C8(OOH)AA-CO2	C8(OOH)AC-AO2	C8(OOH)BC-AO2	C8(OOH)AD-CO2	C8(OOH)CD-AO2	
C8(OOH)AA-DO2	C8(OOH)AD-AO2	
C8(OOH)AB-DO2	C8(OOH)BD-AO2	C8(OOH)AD-DO2	C8(OOH)DD-AO2	C8(OOH)AB-CO2	
C8(OOH)AC-BO2	C8(OOH)AC-DO2	
C8(OOH)BC-DO2	C8(OOH)BD-CO2	C8(OOH)CD-BO2	C8(OOH)CD-DO2	C8(OOH)DD-CO2	
C8(OOH)AA-AO2	C8(OOH)AA-BO2	
C8(OOH)AB-AO2	C8(OOH)AD-BO2	C8(OOH)BD-DO2	C8(OOH)DD-BO2
C8(OOH)AC-KETA C8(OOH)AC-KETB C8(OOH)CD-KETA C8(OOH)AC-KETD C8(OOH)AD-KETA
C8(OOH)AA-KETD C8(OOH)AD-KETB C8(OOH)AD-KETD C8(OOH)DD-KETA C8(OOH)BC-KETA
C8(OOH)CD-KETB C8(OOH)BC-KETD C8(OOH)CD-KETD C8(OOH)AA-KETA C8(OOH)AA-KETB
C8(OOH)AB-KETA C8(OOH)BD-KETA C8(OOH)AB-KETD C8(OOH)DD-KETB C8(OOH)BD-KETD

  IC6H13CHO-B    IC6H13CO-B
AC6H12CHO-B    CC6H12CHO-B    DC6H12CHO-B    EC6H12CHO-B    IC6H13CHO-D
IC6H13CO-D     AC6H12CHO-D    BC6H12CHO-D    CC6H12CHO-D    DC6H12CHO-D
EC6H12CHO-D    IC3H7COC3H7-I  IC3H7COC3H6-I  IC3H7COC3H6-T  TC4H9COC2H5
TC4H8COC2H5    TC4H9COC2H4S   TC4H9COC2H4P   NEOC5H11COCH3  NEOC5H10COCH3
TC4H9CHCOCH3   NEOC5H11COCH2  NEOC6H13CHO    NEOC6H13CO     FC6H12CHO
GC6H12CHO      HC6H12CHO      IC4H7COCH3     IC4H7COCH2     IC3H5CHCOCH3
AC3H4CH2COCH3  XC7H13OOH-X1   XC7H13O-X1     YC7H13OOH-X1   YC7H13O-X1
OC7H13OOH-N    OC7H13O-N      XC7H13OOH-Z    PC7H13OOH-O    OC7H13OOH-Q
OC7H13O-Q      XC7H13OOH-Y2   XC7H13O-Y2     YC7H13OOH-X2
YC7H13O-X2     CC6H11-D       DC6H11-D       IC3H6CHCOCH3   AC3H5CHCOCH3
IC3H6CHCOCH2                                                
C6H5C2H 
NC4H3        C7H6            C6H5CH2J
RODC6JDO     OXCCXCCJXO      BICPD             C6JYOO
CY13PD       STYR            DICYPD          
CYC5H9       BICPDJ          CXCC(C#C)XC       CYPDONE
HCOCJXO      CYC5H5OJ        CYC5H5OH          CYC5H4OH
CPDJONE      CXCCXCXO        CJXCCXCXO         CXCCCJXO
CXCCCO2J     OXCCXCCXO       OXCCXCCJCXO       CXOCXCCJ     
NC4H5
C6H5CH2OOJ   C6H5CH2OOH      C6H5CH2OJ         
C6H5O2       CY13PD5J        C6H5OJ          
CYC5H8       CH2CY24PD       CYC6H7            CXCCXCCJ        LINC6H7
CXCCXCC      CH3CY24PD       CYC5H7U1          CXCCJCXC        OXCJCXCCXC
CJXCCXO      HCOHCO          CPDOOH
OXCCXCCXCJ   CXOCCCJCXO      
CXOCCCXO     STYLBEN         XYLENE
IND          NAPH            CXOCCXO         CPDCXC
DHCO2J       FULVENYL        CPDJCH3
C6H5CJO      YOC6JDO         CXOCJCXO        
C12H10       PHCCHPH         O2C6H4CH3
RODC6J(C)DO  OCCXCCXCJC      
C6H4         CJCXCC#C        CXCCXCCOH         OC6H4CH2                                                                  
CR1          CR2             CR3               CR4             CR5
C10H10       C10H9                    
C6H5C2H2     PHENA           C6H5C2H4P  
C6H5C2H4S
IC5KETDB
!
!   N-ALKANE AND ALKYL RADICAL SPECIES
!
NC8H18   C8H17-1  C8H17-2  C8H17-3  C8H17-4
!
!
!    OLEFIN SPECIES
!
C8H16-1  C8H16-2  C8H16-3  C8H16-4
!
!!       RO SPECIES
!
C8H17O-1  C8H17O-2  C8H17O-3  C8H17O-4
!
!
!     RO2 SPECIES
!
C8H17O2-1 C8H17O2-2 C8H17O2-3 C8H17O2-4
!
!
!    ROOH SPECIES
!
C8H17O2H-1  C8H17O2H-2  C8H17O2H-3  C8H17O2H-4
!
!
!     QOOH SPECIES
!
C8OOH1-2 C8OOH1-3 C8OOH1-4 C8OOH1-5
C8OOH2-1 C8OOH2-3 C8OOH2-4 C8OOH2-5
C8OOH2-6
C8OOH3-1 C8OOH3-2 C8OOH3-4 C8OOH3-5
C8OOH3-6 C8OOH3-7
C8OOH4-1 C8OOH4-2 C8OOH4-3 C8OOH4-5
C8OOH4-6 C8OOH4-7 C8OOH4-8
!
!
!     O2QOOH SPECIES
!
C8OOH1-2O2 C8OOH1-3O2 C8OOH1-4O2 C8OOH1-5O2
C8OOH2-1O2 C8OOH2-3O2 C8OOH2-4O2 C8OOH2-5O2 C8OOH2-6O2
C8OOH3-1O2 C8OOH3-2O2 C8OOH3-4O2 C8OOH3-5O2 C8OOH3-6O2 
C8OOH3-7O2
C8OOH4-1O2 C8OOH4-2O2 C8OOH4-3O2 C8OOH4-5O2 C8OOH4-6O2 
C8OOH4-7O2 C8OOH4-8O2
!
!
!     CYCLIC ETHER SPECIES
!
!
C8O1-2 C8O1-3 C8O1-4 C8O1-5
C8O2-3 C8O2-4 C8O2-5 C8O2-6
C8O3-4 C8O3-5 C8O3-6 
C8O4-5
!
!
!     KETOHYDROPEROXIDE SPECIES
!
!
C8KET1-2 C8KET1-3 C8KET1-4 C8KET1-5
C8KET2-1 C8KET2-3 C8KET2-4 C8KET2-5
C8KET2-6
C8KET3-1 C8KET3-2 C8KET3-4 C8KET3-5
C8KET3-6 C8KET3-7
C8KET4-1 C8KET4-2 C8KET4-3 C8KET4-5
C8KET4-6 C8KET4-7 C8KET4-8
!
!
C8H17COCH2
C7H15COCH2 C6H13COCH2 C5H11COCH2
 C8COC2H4P 
C7COC2H4P   C6COC2H4P C5COC2H4P C4COC2H4P
!
!
 C8COC3H6P   C7COC3H6P
C6COC3H6P  C5COC3H6P   C4COC3H6P  C3COC3H6P
!
!
NC3H7COC2H3 NC4H9COC2H3 C5H11COC2H3 C6H13COC2H3 
!
NC3H7CHCO NC4H9CHCO C5H11CHCO C6H13CHCO C7H15CHCO  
!
!    LARGE ALDEHYDES
!
!
NC8H17CHO
NC7H15CHO NC6H13CHO 
NC8H17CO NC7H15CO NC6H13CO 

C4H8CHO4-2
!
!
IC8H17CHO
IC7H15CHO IC6H13CHO IC5H11CHO
IC8H17CO IC7H15CO IC6H13CO IC4H9CO
!
!
! 
!
NC8H17COCH2
NC7H15COCH2 NC6H13COCH2 NC5H11COCH2 
!
!
 IC8H17COCH2
IC7H15COCH2 IC6H13COCH2 IC5H11COCH2 IC4H9COCH2 IC3H7COCH2
!
!
NC8H17COC2H4P 
NC7H15COC2H4P   NC6H13COC2H4P NC5H11COC2H4P NC4H9COC2H4P
!
!
 IC8H17COC2H4P 
IC7H15COC2H4P   IC6H13COC2H4P IC5H11COC2H4P IC4H9COC2H4P IC3H7COC2H4P 
!
!
NC8H17COC2H3 
NC7H15COC2H3   NC6H13COC2H3 NC5H11COC2H3
!
!
!
 NC8H17COC3H6P   NC7H15COC3H6P
NC6H13COC3H6P  NC5H11COC3H6P   NC4H9COC3H6P  NC3H7COC3H6P
!
!
 IC8H17COC3H6P  IC7H15COC3H6P
IC6H13COC3H6P  IC5H11COC3H6P  IC4H9COC3H6P  IC3H7COC3H6P
!
!
!
NC5H11CHCO NC6H13CHCO NC7H15CHCO  
!
IC3H7CHCO
IC3H7COC2H3
IC3H6COC2H3
TC3H6COC2H3
!
!

!    ALKENYL RADICALS
!
C8H15  
!
!
!       C5 AND C6 2-METHYLALKYL RADICALS, ALKENES, AND ALKENYL RADICALS
!       FORMED BY DECOMPOSITION OF LARGER 2-METHYLALKANES
!   THE NAMES OF THESE SPECIES DO NOT FOLLOW THE SAME CONVENTION AS THE
!   C7 AND GREATER 2-METHYLALKANES SINCE THESE ARE PART OF THE BASE MECHANISM
EC6H13  !C6H13-2E 
DC6H13  !C6H13-2D 
DC6H12  !C6H12-4-2  
CC6H12  !C6H12-3-2 
IC6H11  !C6H11-1-2
AC5H11  !C5H11-2A
BC5H11  !C5H11-2B
CC5H11  !C5H11-2C
DC5H11  !C5H11-2D
AC5H10  !C5H11-1-2
BC5H10  !C5H10-2-2
CC5H10  !C5H10-3-2
IC5H9   !C5H9-1-1
!
!
!
!
!
!       2-METHYLHEXANE 
!       2-METHYLHEXANE AND ITS CORRESPONDING ALKYL RADICALS;
!       RADICAL SITE DENOTED BY LETTER
C7H16-2 
C7H15-2A    C7H15-2B    C7H15-2C       C7H15-2D    C7H15-2E    C7H15-2F
!
!       ALL 2-METHYLHEXENES AND ITS CORRESPONDING ALKENYL RADICALS
!       RADICAL SITE DENOTED BY LETTER 
C7H14-1-2       C7H14-2-2       C7H14-3-2       C7H14-4-2       C7H14-5-2
!
C7H13-1-2  !THIS SPECIES IS A LUMP OF THE VARIOUS C7H13-1-2 RADICALS BELOW
!
!
!       2-METHYLHEXANE RO. SPECIES; RADICAL SITE ON THE OXYGEN
C7H15O-1-2              C7H15O-2-2              C7H15O-3-2      
C7H15O-4-2              C7H15O-5-2              C7H15O-6-2
!
!       2-METHYLHEXANE ROO. SPECIES; RADICAL SITE ON THE OXYGEN 
C7H15OO-1-2         C7H15OO-2-2             C7H15OO-3-2
C7H15OO-4-2         C7H15OO-5-2             C7H15OO-6-2
!
!       2-METHYLHEXANE ROOH SPECIES; NO RADICAL SITES 
C7H15OOH-1-2        C7H15OOH-2-2        C7H15OOH-3-2
C7H15OOH-4-2        C7H15OOH-5-2        C7H15OOH-6-2
!
!       2-METHYLHEXANE .QOOH SPECIES; C7H14-1 IS DENOTED AS C7
!       A HYPHEN IS NOT USED TO INDICATE OOH POSITION
!       RADICAL SITE DENOTED BY LETTER;
!       INCLUDES TRANSITION STATE RINGS OF 5, 6, 7, AND 8 ATOMS
!
C7OOH1-2A           C7OOH1-2B           C7OOH1-2C
C7OOH1-2D           C7OOH1-2E           
!
C7OOH2-2A           C7OOH2-2C           C7OOH2-2D
C7OOH2-2E           C7OOH2-2F
!
C7OOH3-2A           C7OOH3-2B           C7OOH3-2D
C7OOH3-2E           C7OOH3-2F
!
C7OOH4-2A           C7OOH4-2B           C7OOH4-2C
C7OOH4-2E           C7OOH4-2F
!
C7OOH5-2A           C7OOH5-2B           C7OOH5-2C
C7OOH5-2D           C7OOH5-2F
!
C7OOH6-2B           C7OOH6-2C           C7OOH6-2D
C7OOH6-2E
!
!       2-METHYLHEXANE .OOQOOH SPECIES; C7H14-1 IS DENOTED AS C7
!       A HYPHEN IS NOT USED TO INDICATE OOH POSITION
!       A HYPHEN IS NOT USED TO INDICATE OO POSITION
!       RADICAL SITE ON THE OXYGEN IN O2
C7OOH1-OO1-2        C7OOH1-OO2-2        C7OOH1-OO3-2
C7OOH1-OO4-2        C7OOH1-OO5-2        
!
C7OOH2-OO1-2        C7OOH2-OO3-2        C7OOH2-OO4-2
C7OOH2-OO5-2        C7OOH2-OO6-2
!
C7OOH3-OO1-2        C7OOH3-OO2-2        C7OOH3-OO4-2
C7OOH3-OO5-2        C7OOH3-OO6-2
!
C7OOH4-OO1-2        C7OOH4-OO2-2        C7OOH4-OO3-2
C7OOH4-OO5-2        C7OOH4-OO6-2
!
C7OOH5-OO1-2        C7OOH5-OO2-2        C7OOH5-OO3-2
C7OOH5-OO4-2        C7OOH5-OO6-2
!
C7OOH6-OO2-2        C7OOH6-OO3-2        C7OOH6-OO4-2
C7OOH6-OO5-2
!
!       2-METHYLHEXANE CYCLIC ETHER SPECIES; NO RADICAL SITES
C7H14O1-1-2             C7H14O1-2-2             C7H14O1-3-2     
C7H14O1-4-2             C7H14O1-5-2
!
C7H14O2-3-2             C7H14O2-4-2             C7H14O2-5-2
C7H14O2-6-2     
!
C7H14O3-4-2             C7H14O3-5-2             C7H14O3-6-2
!
C7H14O4-5-2             C7H14O4-6-2
!
C7H14O5-6-2
!
!       2-METHYLHEXANE KETO-HYDROPEROXIDE (KET) SPECIES; C7H14-1 IS DENOTED AS C7
!       THERE ARE NO RADICAL SITES
!       (1ST NUMBER IS KETENE GROUP; 2ND NUMBER IS OOH GROUP)
!
C7KET1-1-2              C7KET1-2-2              C7KET1-3-2
C7KET1-4-2              C7KET1-5-2
!
C7KET3-1-2              C7KET3-2-2              C7KET3-4-2
C7KET3-5-2              C7KET3-6-2
!
C7KET4-1-2              C7KET4-2-2              C7KET4-3-2
C7KET4-5-2              C7KET4-6-2
!
C7KET5-1-2              C7KET5-2-2              C7KET5-3-2
C7KET5-4-2              C7KET5-6-2
!
C7KET6-2-2              C7KET6-3-2              C7KET6-4-2              
C7KET6-5-2
!
!
!
!
!
!
! 2-METHYLHEPTANE 
! 2-METHYLHEPTANE AND ITS CORRESPONDING ALKYL RADICALS;
! RADICAL SITE DENOTED BY LETTER
C8H18-2 
C8H17-2A    C8H17-2B       C8H17-2C    C8H17-2D    C8H17-2E    C8H17-2F
C8H17-2G
!
! ALL 2-METHYLHEPTENES AND ITS CORRESPONDING ALKENYL RADICALS
! RADICAL SITE DENOTED BY LETTER 
C8H16-1-2       C8H16-2-2       C8H16-3-2       C8H16-4-2       C8H16-5-2       C8H16-6-2
!
C8H15-1-2  !THIS SPECIES IS A LUMP OF THE VARIOUS C8H15-1-2 RADICALS BELOW
!
!
!       2-METHYLHEPTANE RO. SPECIES; RADICAL SITE ON THE OXYGEN
C8H17O-1-2              C8H17O-2-2              C8H17O-3-2      
C8H17O-4-2              C8H17O-5-2              C8H17O-6-2
C8H17O-7-2
!
!       2-METHYLHEPTANE ROO. SPECIES; RADICAL SITE ON THE OXYGEN 
C8H17OO-1-2         C8H17OO-2-2             C8H17OO-3-2
C8H17OO-4-2         C8H17OO-5-2             C8H17OO-6-2
C8H17OO-7-2
!
!       2-METHYLHEPTANE ROOH SPECIES; NO RADICAL SITES 
C8H17OOH-1-2        C8H17OOH-2-2        C8H17OOH-3-2
C8H17OOH-4-2        C8H17OOH-5-2        C8H17OOH-6-2
C8H17OOH-7-2
!
!       2-METHYLHEPTANE .QOOH SPECIES;  C8H16-1DENOTED AS C8
!       A HYPHEN IS NOT USED TO INDICATE OOH POSITION
!       RADICAL SITE DENOTED BY LETTER; 
!       INCLUDES TRANSITION STATE RINGS OF 5, 6, 7, AND 8 ATOMS
C8OOH1-2A           C8OOH1-2B           C8OOH1-2C
C8OOH1-2D           C8OOH1-2E           
!
C8OOH2-2A           C8OOH2-2C           C8OOH2-2D
C8OOH2-2E           C8OOH2-2F           
!
C8OOH3-2A           C8OOH3-2B           C8OOH3-2D
C8OOH3-2E           C8OOH3-2F           C8OOH3-2G
!
C8OOH4-2A           C8OOH4-2B           C8OOH4-2C
C8OOH4-2E           C8OOH4-2F           C8OOH4-2G
!
C8OOH5-2A           C8OOH5-2B           C8OOH5-2C
C8OOH5-2D           C8OOH5-2F           C8OOH5-2G
!
C8OOH6-2B           C8OOH6-2C           C8OOH6-2D
C8OOH6-2E           C8OOH6-2G
!
C8OOH7-2C           C8OOH7-2D           C8OOH7-2E
C8OOH7-2F
!
!       2-METHYLHEPTANE .OOQOOH SPECIES;    C8H16-1DENOTED AS C8
!       A HYPHEN IS NOT USED TO INDICATE OOH POSITION
!       A HYPHEN IS NOT USED TO INDICATE OO POSITION
!       RADICAL SITE ON THE OXYGEN IN O2
C8OOH1-OO1-2        C8OOH1-OO2-2        C8OOH1-OO3-2
C8OOH1-OO4-2        C8OOH1-OO5-2        
!
C8OOH2-OO1-2        C8OOH2-OO3-2        C8OOH2-OO4-2
C8OOH2-OO5-2        C8OOH2-OO6-2
!
C8OOH3-OO1-2        C8OOH3-OO2-2        C8OOH3-OO4-2
C8OOH3-OO5-2        C8OOH3-OO6-2        C8OOH3-OO7-2
!
C8OOH4-OO1-2        C8OOH4-OO2-2        C8OOH4-OO3-2
C8OOH4-OO5-2        C8OOH4-OO6-2        C8OOH4-OO7-2
!
C8OOH5-OO1-2        C8OOH5-OO2-2        C8OOH5-OO3-2
C8OOH5-OO4-2        C8OOH5-OO6-2        C8OOH5-OO7-2
!
C8OOH6-OO2-2        C8OOH6-OO3-2        C8OOH6-OO4-2
C8OOH6-OO5-2        C8OOH6-OO7-2    
!
C8OOH7-OO3-2        C8OOH7-OO4-2        C8OOH7-OO5-2
C8OOH7-OO6-2
!
!       2-METHYLHEPTANE CYCLIC ETHER SPECIES; NO RADICAL SITES
C8H16O1-1-2             C8H16O1-2-2             C8H16O1-3-2     
C8H16O1-4-2             C8H16O1-5-2             
!
C8H16O2-3-2             C8H16O2-4-2             C8H16O2-5-2
C8H16O2-6-2             
!
C8H16O3-4-2             C8H16O3-5-2             C8H16O3-6-2
C8H16O3-7-2
!
C8H16O4-5-2             C8H16O4-6-2             C8H16O4-7-2
!
C8H16O5-6-2             C8H16O5-7-2
!
C8H16O6-7-2
!
!       2-METHYLHEPTANE KETO-HYDROPEROXIDE (KET) SPECIES; C8H16-1DENOTED AS C8
!       THERE ARE NO RADICAL SITES
!       (1ST NUMBER IS KETENE GROUP; 2ND NUMBER IS OOH GROUP)
!
C8KET1-1-2              C8KET1-2-2              C8KET1-3-2
C8KET1-4-2              C8KET1-5-2
!
C8KET3-1-2              C8KET3-2-2              C8KET3-4-2
C8KET3-5-2              C8KET3-6-2              C8KET3-7-2
!
C8KET4-1-2              C8KET4-2-2              C8KET4-3-2
C8KET4-5-2              C8KET4-6-2              C8KET4-7-2
!
C8KET5-1-2              C8KET5-2-2              C8KET5-3-2
C8KET5-4-2              C8KET5-6-2              C8KET5-7-2
!
C8KET6-2-2              C8KET6-3-2              C8KET6-4-2              
C8KET6-5-2              C8KET6-7-2
!
C8KET7-3-2              C8KET7-4-2              C8KET7-5-2
C8KET7-6-2
!
!
HMN 
!
!   HMN ALKYL RADICALS
!
HMN-1 HMN-2 HMN-3 HMN-4 HMN-5 HMN-6 HMN-7 HMN-8
!  R1, R3, R6 AND R8 ARE PRIMARIES
!  R2, R4 AND R7 ARE SECONDARIES
!  R5 IS TERTARY
!            1           3           6           8
!          H C H       H C H       H C H       H C H
!      H     |     2     |     4     |     7     |     H
!    H C  -  C  -  C  -  C  -  C  -  C  -  C  -  C  -  C  H
!      H     |     2     |     H     5     H     |     H
!          H C H       H C H                   H C H
!            H           H                       H
!
!
!   HMN  OLEFINS!
AC16H32 BC16H32 CC16H32
!
!                                             C 
!                              C     C       (B)       C
!                            C C  C  C  C (A) C (C) C  C C
!                              C     C                 C
!
!
!   HMN ALKENYL
C16H31-1 C16H31-2 C16H31-3
!
!   ALKOXY RADICALS
!
HMN-1 HMN-2 HMN-3 HMN-4 HMN-5 HMN-6 HMN-7 HMN-8
HMN-1O HMN-2O HMN-3O HMN-4O HMN-5O
HMN-6O HMN-7O HMN-8O
!
!
!   ALKYLPEROXY RADICALS
!
HMN-1O2 HMN-2O2 HMN-3O2 HMN-4O2 HMN-5O2
HMN-6O2 HMN-7O2 HMN-8O2
!
!
!    QOOH SPECIES
!
HMNOOH1-1 HMNOOH1-2 HMNOOH1-3 HMNOOH1-4
HMNOOH2-1 HMNOOH2-3 HMNOOH2-4 HMNOOH2-5
HMNOOH2-6 HMNOOH2-7
HMNOOH3-1 HMNOOH3-2 HMNOOH3-3 HMNOOH3-4
HMNOOH3-5 HMNOOH3-6 HMNOOH3-7
HMNOOH4-1 HMNOOH4-2 HMNOOH4-3 HMNOOH4-5
HMNOOH4-6 HMNOOH4-7 HMNOOH4-8
HMNOOH5-2 HMNOOH5-3 HMNOOH5-4 HMNOOH5-6
HMNOOH5-7 HMNOOH5-8
HMNOOH6-2 HMNOOH6-3 HMNOOH6-4 HMNOOH6-5
HMNOOH6-7 HMNOOH6-8
HMNOOH7-2 HMNOOH7-3 HMNOOH7-4 HMNOOH7-5
HMNOOH7-6 HMNOOH7-8
HMNOOH8-4 HMNOOH8-5 HMNOOH8-6 HMNOOH8-7
HMNOOH8-8
!
!
!
!    O2QOOH SPECIES
!
HMNOOH1-1O2 HMNOOH1-2O2 HMNOOH1-3O2 HMNOOH1-4O2
HMNOOH2-1O2 HMNOOH2-3O2 HMNOOH2-4O2 HMNOOH2-5O2
HMNOOH2-6O2 HMNOOH2-7O2 
HMNOOH3-1O2 HMNOOH3-2O2 HMNOOH3-3O2 HMNOOH3-4O2
HMNOOH3-5O2 HMNOOH3-6O2 HMNOOH3-7O2
HMNOOH4-1O2 HMNOOH4-2O2 HMNOOH4-3O2 HMNOOH4-5O2
HMNOOH4-6O2 HMNOOH4-7O2 HMNOOH4-8O2
HMNOOH5-2O2 HMNOOH5-3O2 HMNOOH5-4O2 HMNOOH5-6O2
HMNOOH5-7O2 HMNOOH5-8O2
HMNOOH6-2O2 HMNOOH6-3O2 HMNOOH6-4O2 HMNOOH6-5O2
HMNOOH6-7O2 HMNOOH6-8O2
HMNOOH7-2O2 HMNOOH7-3O2 HMNOOH7-4O2 HMNOOH7-5O2
HMNOOH7-6O2 HMNOOH7-8O2
HMNOOH8-4O2 HMNOOH8-5O2 HMNOOH8-6O2 HMNOOH8-7O2
HMNOOH8-8O2
!
!
!    ALKYL HYDROPEROXIDES
!
HMN-1OOH HMN-2OOH HMN-3OOH HMN-4OOH HMN-5OOH
HMN-6OOH HMN-7OOH HMN-8OOH
!
!
!    CYCLIC ETHERS
!
HMNO1-1 HMNO1-2 HMNO1-3 HMNO1-4 
HMNO2-3 HMNO2-4 HMNO2-5 HMNO2-6 HMNO2-7
HMNO3-3 HMNO3-4 HMNO3-5 HMNO3-6 HMNO3-7
HMNO4-5 HMNO4-6 HMNO4-7 HMNO4-8
HMNO5-6 HMNO5-7 HMNO5-8
HMNO6-7 HMNO6-8
HMNO7-8 HMNO8-8
!
!
!     KETOHYDROPEROXIDES
!
HMNKET1-1 HMNKET1-2 HMNKET1-3 HMNKET1-4
HMNKET2-1 HMNKET2-3 HMNKET2-4 HMNKET2-5 HMNKET2-6 HMNKET2-7
HMNKET3-1 HMNKET3-2 HMNKET3-3 HMNKET3-4 HMNKET3-5 HMNKET3-6
HMNKET3-7
HMNKET4-1 HMNKET4-2 HMNKET4-3 HMNKET4-5 HMNKET4-6 HMNKET4-7
HMNKET4-8
HMNKET6-2 HMNKET6-3 HMNKET6-4 HMNKET6-5 HMNKET6-7 HMNKET6-8
HMNKET7-2 HMNKET7-3 HMNKET7-4 HMNKET7-5 HMNKET7-6 HMNKET7-8
HMNKET8-4 HMNKET8-5 HMNKET8-6 HMNKET8-7 HMNKET8-8
!
!P(OOH)2
C16H31Q14-5 C16H31Q24-5 C16H31Q25-4 C16H31Q25-6 C16H31Q25-7 C16H31Q26-5 C16H31Q27-5 C16H31Q34-5 C16H31Q35-4
C16H31Q35-6 C16H31Q35-7 C16H31Q36-5 C16H31Q37-5 C16H31Q45-6 C16H31Q45-7 C16H31Q46-5 C16H31Q47-5 C16H31Q47-5
C16H31Q46-5 C16H31Q67-5 C16H31Q48-5 C16H31Q68-5 C16H31Q78-5 C16H31Q11-1 C16H31Q11-2 C16H31Q12-1 C16H31Q12-3 C16H31Q12-4
C16H31Q13-2 C16H31Q13-2 C16H31Q13-3 C16H31Q13-4 C16H31Q14-2 C16H31Q14-3 C16H31Q14-6 C16H31Q14-7 C16H31Q23-3
C16H31Q23-3 C16H31Q23-4 C16H31Q24-3 C16H31Q24-3 C16H31Q24-6 C16H31Q24-7 C16H31Q26-4 C16H31Q26-7 C16H31Q27-4
C16H31Q27-6 C16H31Q27-8 C16H31Q13-1 C16H31Q23-1 C16H31Q33-2 C16H31Q33-4 C16H31Q34-2 C16H31Q34-3 C16H31Q34-3
C16H31Q34-6 C16H31Q34-7 C16H31Q36-4 C16H31Q36-7 C16H31Q37-4 C16H31Q37-4 C16H31Q37-6 C16H31Q37-8 C16H31Q14-1
C16H31Q14-2 C16H31Q24-1 C16H31Q46-7 C16H31Q46-7 C16H31Q47-6 C16H31Q47-6 C16H31Q47-8 C16H31Q48-7 C16H31Q48-7
C16H31Q48-8 C16H31Q25-1 C16H31Q25-3 C16H31Q25-4 C16H31Q35-2 C16H31Q35-3 C16H31Q35-4 C16H31Q45-2 C16H31Q45-3
C16H31Q57-8 C16H31Q58-8 C16H31Q26-1 C16H31Q26-3 C16H31Q26-4 C16H31Q36-2 C16H31Q36-3 C16H31Q46-2 C16H31Q46-3
C16H31Q67-4 C16H31Q67-4 C16H31Q67-8 C16H31Q68-7 C16H31Q68-7 C16H31Q68-8 C16H31Q27-1 C16H31Q27-3 C16H31Q37-2
C16H31Q37-3 C16H31Q47-2 C16H31Q47-3 C16H31Q78-8 C16H31Q78-8 C16H31Q48-2 C16H31Q48-3 C16H31Q48-6 C16H31Q68-4
C16H31Q78-4 C16H31Q78-6 C16H31Q88-7 C16H31Q88-8 C16H31Q12-5 C16H31Q13-5 C16H31Q23-5 C16H31Q25-8 C16H31Q33-5
C16H31Q35-8 C16H31Q45-8 C16H31Q88-5 C16H31Q56-2 C16H31Q56-3 C16H31Q56-4 C16H31Q56-7 C16H31Q56-8 C16H31Q57-2
C16H31Q57-3 C16H31Q57-4 C16H31Q57-6 C16H31Q58-2 C16H31Q58-3 C16H31Q58-4 C16H31Q58-6 C16H31Q58-7
!
C16H31-AD1OOH C16H31-AD2OOH C16H31-AD3OOH C16H31-AD6OOH C16H31-AD7OOH C16H31-AD8OOH C16H31-BD2OOH C16H31-BD3OOH 
C16H31-BD4OOH C16H31-BD7OOH C16H31-BD8OOH C16H31-CD2OOH C16H31-CD3OOH C16H31-CD4OOH C16H31-CD6OOH C16H31-CD8OOH
!
!
C15H29AD2OOH C15H29BD2OOH C15H29AD3OOH C15H29CD2OOH AC15H29BD4OOH C15H29CD1OOH C15H29DD1OOH C15H29BD5OOH
C8H15DD1OOH C11H21AD2OOH C15H29CDA2OOH C15H29CDB2OOH C8H15CDA2OOH C11H21AD3OOH C15H29DD2OOH C15H29ED2OOH C11H21DD2OOH 
C11H21ED2OOH C15H29AD4OOH C15H29CD4OOH C15H29CDB4OOH C15H29BD4OOH C8H15CD3OOH C15H29CDA4OOH C15H29CD6OOH 
C15H29ED3OOH C11H21DD3OOH C15H29CDB7OOH C11H21ED3OOH C15H29AD5OOH C8H15BD1OOH C7H13BD1OOH C15H29ED4OOH 
C7H13AD3OOH C11H21ED4OOH C7H13BD4OOH C15H29GD4OOH C15H29HD4OOH C11H21AD4OOH C11H21BD3OOH C15H29BD5OOH 
C15H29CDA5OOH C15H29CDB5OOH C15H29HD5OOH C11H21AD5OOH C11H21BD5OOH C15H29BD6OOH C15H29CDA6OOH C15H29DD6OOH 
C11H21DD6OOH C15H29ED7OOH C15H29GD6OOH C15H29HD6OOH C11H21AD6OOH C15H29BD7OOH C15H29CDA7OOH C15H29HD7OOH C7H13AD4OOH
C15H29DD7OOH C15H29GD8OOH C15H29HD8OOH 
!
C8H15Q12-3 C8H15Q14-3 C8H15Q24-3 C12H23Q25-7 C8H15Q45-3 C12H23Q35-7 C12H23Q45-7
C8H15Q23-1 C12H23Q56-7 C8H15Q24-1 C8H15Q25-1 IC4H7Q13-2 
!
C8H15-CD1OOH C8H15-CD2OOH C12H23-ED2OOH C8H15-CD4OOH C12H23-ED3OOH C12H23-ED4OOH
C8H15-AD2OOH C12H23-ED6OOH C8H15-AD3OOH C8H15-AD4OOH IC4H7-AD2OOH
!
C14H27 C10H21-1 C9H19-1 C6H10D13 C9KET1-2 C9KET1-3 C9KET1-4 C7H121-3 C8H141-3 C9H161-3 
!
IC12KET1-2 IC12KET1-3 IC12KET1-4 IC12KET1-5 IC11H23CHO
!
YC7H15 PC7H15 XC7H14 YC7H14 OC7H14 PC7H14 YC7H13-Y2 XC7H13-Y2 OH* CH* BC6H13 AC6H12 BC6H12
HC6H13 NEOC6H12 C4H6 XC7H13O-Z CC6H11-B NEOC6H11 C5H92O2-1 C5H91O2-3 C5H91O2-4 C5H91O2-5
C5H92O2-4 C5H92O2-5 C5H81-4 C5H82OOH5-4 C5H82OOH4-5 NC5D1KET34 NC5D1KET35 NC5D1KET43 NC5D1KET45
NC5D1KET53 NC5D1KET54 NC5D2KET45 NC5D2KET54 C6H101-3 C6H101-4 C6H102-4 C4H7CHO1-4 C6H111O2H-4
C6H111O2H-5 C6H111O2H-6 C6H112O2H-5 C6H112O2H-6 C6H113O2H-2 C6H112O2H-4 C6H113O2H-1 C2H3COC3H7
C4H7CHO1-1 C4H7OOH1-4 C5H9OOH1-5 C5H9OOH1-4 C6H11OOH1-5 C6H11OOH1-4 C3H6COC2H5-1 NC3H7COC2H4P
C7H14OH-1 O2C7H14OH-1 C7H14OH-2 O2C7H14OH-2 C7H14OH-3 O2C7H14OH-3 C5H10CHO-1 C5H10CHO-2 C5H10CHO-3
C5H10CHO-4 C5H10CHO-5 C4H6CHO1-43 C4H6CHO1-44 C4H8COCH3-1 C4H8COCH3-2 C4H8COCH3-3 C4H8COCH3-4
C5H9O1-4 C6H11O1-4 C6H11O1-5 C4H7CO1-1 C4H6CHO1-14 C4H6CHO1-13 C3H6COC2H5-2 C3H6COC2H5-3 NC3H7COC2H4S
XC7H15 C7H16-24 ZC7H15 NC7H15 NEOC7H16 OC7H15 QC7H15 AC6H11-D AC6H11-E AC6H11-A2 C4H7CO2-2 C4H7CO1-2
C4H7CO2-1 
!
PC7H13-O NEOC5H11CO IC4H9CHO  IC3H5COC2H5 PC7H13O-O CY3C5H8O C5H82OOH4-5O2 C5H82OOH5-4O2
NC7KET12 NC7KET13 NC7KET14 NC7KET15 NC7KET21 NC7KET23 NC7KET24 NC7KET25 NC7KET26 NC7KET31
NC7KET32 NC7KET34 NC7KET35 NC7KET36 NC7KET37 NC7KET41 NC7KET42 NC7KET43 NC4H9COCH2 NC4H9COCH3
CHCHCHO NC3H7COC2H5 AC3H4CH2CHO IC5H11CO CH3CHOCHO XC7H15O2 XC7H15O2H YC7H15O2
YC7H15O2H ZC7H15O2 ZC7H15O2H NC7H15O2 NC7H15O2H OC7H15O2 OC7H15O2H PC7H15O2 PC7H15O2H QC7H15O2
QC7H15O2H AC6H11-C NEOC5H11CHO IC4H9COCH3 Y-YC7H14O A-BC6H12O A-AC6H12O
!   MISCELLANEOUS SPECIES
!
!  SMALLER ALKYL RADICALS
!
AC15H31 BC15H31 CC15H31 DC15H31 AC12H25 FC12H25 
AC11H23 SC11H23 CC9H19 

!
!     SMALLER OLEFIN SPECIES
!
AC15H30 BC15H30 CC15H30 DC15H30 EC15H30 FC15H30
GC15H30 HC15H30 IC15H30 AC15H29
AC12H24 AC12H23
AC11H22 BC11H22 CC11H22 DC11H22 AC11H21 
AC10H20 AC10H19 AC9H18 AC9H17
!
NEC5COCH3 NEC5COCH2 NEC5XCOCH3
NC9H19COCH3 NC9H18COCH3 NC9H19COCH2
TC4COC3H5 TC4XCOC3H5 TC4COC3H4
!
DC7H15CHO DC7H15CO
AC11H23CHO AC11H23CO
HC11H23CHO HC11H23CO 
IC11H22CHO 
HC7COC4H8 
IC7CHO IC7CO
IC7H13CHO IC7H13CO
IC7H14CO 
IC10H19CHO IC10H19CO 
NEC6H11CHO NEC6H11CO
NFC6H11CHO NFC6H11CO
!
C5H9           C4H7O          C4H8OH-1       C4H8OH-2               
C7H162-4       XC7H13         C4H8OH-1O2     C4H8OH-2O2         
PC7H13                              
XC7H14OH-Y     
YC7H14OH-X     ZC7H14OH-Y
YC7H14OH-Z     IC4H7OH-I1     OC7H14OH-P     PC7H14OH-O     QC7H14OH-P
PC7H14OH-Q     XC7H14OH-YO2   XC7H14O-YO2H   YC7H14OH-XO2   YC7H14O-XO2H
ZC7H14OH-YO2   ZC7H14O-YO2H   YC7H14OH-ZO2   YC7H14O-ZO2H   OC7H14OH-PO2
OC7H14O-PO2H   PC7H14OH-OO2   PC7H14O-OO2H   QC7H14OH-PO2   QC7H14O-PO2H
PC7H14OH-QO2   PC7H14O-QO2H   B13DE2M        IC5KETAA       IC5KETAB
IC5KETAC       IC5KETAD       IC5KETCA       IC5KETCB       IC5KETCD
IC5KETDA       IC5KETDC       C4H8CHO-4      C2H5COC2H4S    C3H6COCH3-2
C4H8CHO-2      C4H8CHO-1      C4H8CHO-3      NC4H9CHO       NEOC5H9Q2-N
C5H10OH-1      O2C5H10OH-1    C5H10OH-2      O2C5H10OH-2    AC3H5CO
NC5KET12       NC5KET13       NC5KET14       NC5KET15       NC5KET21
NC5KET23       NC5KET24       NC5KET25       NC5KET31       NC5KET32
C6H13O2-1      C6H13O2-2      C6H13O2-3      C6H13O2H-1     C6H13O2H-2
C6H13O2H-3     C6H11O1-3      C6H11O2-4      C6H12OH-1
C6H12OH-2      C6H12OH-3      O2C6H12OH-1    O2C6H12OH-2
O2C6H12OH-3    NC6KET12       NC6KET13       NC6KET14
NC6KET15       NC6KET21       NC6KET23       NC6KET24       NC6KET25
NC6KET26       NC6KET31       NC6KET32       NC6KET34       NC6KET35
NC6KET36       C3H6COCH3-1    C2H5COC2H4P    C2H5COC2H3     NC4H9CO 
C2H3CHCHO      C3H6COCH3-3    PC2H4COC2H3    SC2H4COC2H3    C7H15O2-1
C7H15O2-2      C7H15O2-3      C7H15O2H-1     C7H15O2H-2     C7H15O2H-3
C7H15O2H-4     C7H15O2-4      C7H13O1-3      C7H13O2-4      C7H13O3-5
C7H15O-1       C7H15O-2       C7H15O-3       C7H15O-4       NC5H11CHO
C5H9O1-5       C6H5OH         OC6H4O         C6H5CHO
C6H4OH         C4H7           SC3H5COCH2     CXOCCCJXO
END       
REACTIONS

!!!!
H2+M<=>H+H+M                                      +4.57700000E+019 -1.40000000E+000 +1.04400000E+005 !\Author: AK !\Ref: TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15 !\Comment: WARNING
HE / +0.8300 / CO / +1.9000 / CH4 / +2.0000 / H2 / +2.5000 / C2H6 / +3.0000 / CO2 / +3.8000 / H2O / +12.0000 / O2 / 0.000/
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
O+H2<=>OH+H                                       +3.80000000E+012 +0.00000000E+000 +7.94800000E+003 !\Author: SP !\Ref: BAULCH, D. L.; BOWMAN, C. T.; COBOS, J PHYS CHEM REF DATA 2005, 34, 757-1397. !\Comment: WARNING 
DUP
O+H2<=>OH+H                                       +8.80000000E+014 +0.00000000E+000 +1.91750000E+004 !\Author: SP !\Ref: BAULCH, D. L.; BOWMAN, C. T.; COBOS, J PHYS CHEM REF DATA 2005, 34, 757-1397. !\Comment: WARNING 
DUP
H2+OH<=>H+H2O                                     +2.20000000E+008 +1.51000000E+000 +3.43000000E+003 !\Author: UB !\Ref: J.V.MICHAEL SUTHERLAND, J.PHYS.CHEM. 92(1988) 3853 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: TERMOLECULARREACTIONH+O2+R<=>RH+O2!!AUTHOR
!___________________________________________________________________________________________________________ 
H+O2+H=H2+O2                                      +8.80000000E+022 -1.83500000E+000 +8.00000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
H+O2+H=OH+OH                                      +4.00000000E+022 -1.83500000E+000 +8.00000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
H+O2+O=OH+O2                                      +7.35000000E+022 -1.83500000E+000 +8.00000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
H+O2+OH=H2O+O2                                    +2.56000000E+022 -1.83500000E+000 +8.00000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: H2
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: O2
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
O+O+M<=>O2+M                                      +6.16500000E+015 -5.00000000E-001 +0.00000000E+000 !\Author: AK !\Ref: TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15 !\Comment: WARNING 
HE / +0.8300 / AR / +0.8300 / CO / +1.9000 / CH4 / +2.0000 / H2 / +2.5000 / C2H6 / +3.0000 / CO2 / +3.8000 / H2O / +12.0000 / 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONH
!___________________________________________________________________________________________________________ 
O2+H<=>O+OH                                       +1.04000000E+014 +0.00000000E+000 +1.52860000E+004 !\Author: AK !\Ref: HONG ET AL. PROC. OF THE COMB. INST. 33(2011) 309?16 !\Comment: 2 PARAMETER FIT 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: O2
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: H2O
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
H+OH(+M)<=>H2O(+M)                                +2.50000000E+013 +2.34000000E-001 -1.14000000E+002 !\Author: ABS_TEST SP !\Ref: SELLEVAG, S. R.;J. PHYS. CHEM. A 2008, 112, 50855095 ! !\Comment: WARNING 
LOW /                                             +4.53000000E+021 -1.81000000E+000 +4.92000000E+002 /
TROE /                           +7.30000000E-001 +1.00000000E-030 +1.00000000E+030 +1.00000000E+030 /
AR / +0.4000 / HE / +0.5700 / O2 / +1.0000 / N2 / +1.0000 / H2 / +1.5000 / H2O / +13.0000 / 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
OH+OH<=>H2O+O                                     +2.88000000E+006 +1.79000000E+000 -1.75000000E+003 !\Author: WARNING !\Ref: G. ALTINAY, J. PHYS. CHEM. A, 118(2014), PP. 38-54 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ALPHA_SCISSION
!___________________________________________________________________________________________________________ 
O+H+M<=>OH+M                                      +4.71400000E+018 -1.00000000E+000 +0.00000000E+000 !\Author: AK !\Ref: TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15 !\Comment: WARNING 
AR / +0.7500 / HE / +0.7500 / CO / +1.5000 / CH4 / +2.0000 / CO2 / +2.0000 / H2 / +2.5000 / C2H6 / +3.0000 / H2O / +12.0000 / 
!===========================================================================================================
!\SUBSPECIES: OHV
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ALPHA_SCISSION
!___________________________________________________________________________________________________________ 
H+O+M<=>OHV+M                                     +4.43000000E+014 +0.00000000E+000 +1.00000000E+004 !\Author: ABS !\Ref: HALL AND PETERSEN IJCK 2006 !\Comment: WARNING 
AR / +0.4000 / O2 / +0.8000 / CO2 / +2.0000 / H2 / +2.0000 / CH4 / +2.0000 / H2O / +12.0000 / 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: THIRD_BODY_DEACTIVATION
!___________________________________________________________________________________________________________ 
OHV+H2O<=>OH+H2O                                  +5.92000000E+012 +5.00000000E-001 -8.60000000E+002 !\Author: ABS !\Ref: HALL AND PETERSEN IJCK 2006 !\Comment: WARNING 
OHV+H2<=>OH+H2                                    +2.95000000E+012 +5.00000000E-001 -4.44000000E+002 !\Author: ABS !\Ref: HALL AND PETERSEN IJCK 2006 !\Comment: WARNING 
OHV+N2<=>OH+N2                                    +2.10000000E+012 +5.00000000E-001 -4.82000000E+002 !\Author: ABS !\Ref: WARNING !\Comment: WARNING 
OHV+OH<=>OH+OH                                    +1.50000000E+012 +5.00000000E-001 -0.00000000E+000 !\Author: ABS !\Ref: HALL AND PETERSEN IJCK 2006 !\Comment: WARNING 
OHV+H<=>OH+H                                      +1.50000000E+012 +5.00000000E-001 -0.00000000E+000 !\Author: ABS !\Ref: HALL AND PETERSEN IJCK 2006 !\Comment: WARNING 
OHV+AR<=>OH+AR                                    +2.17000000E+010 +5.00000000E-001 +2.06000000E+003 !\Author: ABS !\Ref: HALL AND PETERSEN IJCK 2006 !\Comment: WARNING 
OHV<=>OH                                          +1.40000000E+006 +0.00000000E+000 +0.00000000E+000 !\Author: ABS !\Ref: HALL AND PETERSEN IJCK 2006 !\Comment: WARNING 
OHV+O2<=>OH+O2                                    +2.10000000E+012 +5.00000000E-001 -4.82000000E+002 !\Author: ABS !\Ref: HALL AND PETERSEN IJCK 2006 !\Comment: WARNING 
OHV+CO2<=>OH+CO2                                  +2.75000000E+012 +5.00000000E-001 -9.68000000E+002 !\Author: ABS !\Ref: HALL AND PETERSEN IJCK 2006 !\Comment: WARNING 
OHV+CO<=>OH+CO                                    +3.23000000E+012 +5.00000000E-001 -7.87000000E+002 !\Author: ABS !\Ref: HALL AND PETERSEN IJCK 2006 !\Comment: WARNING 
OHV+CH4<=>OH+CH4                                  +3.36000000E+012 +5.00000000E-001 -6.35000000E+002 !\Author: ABS !\Ref: HALL AND PETERSEN IJCK 2006 !\Comment: WARNING 
OHV+O<=>OH+O                                      +1.50000000E+012 +5.00000000E-001 -0.00000000E+000 !\Author: ABS !\Ref: HALL AND PETERSEN IJCK 2006 !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: OHV
!===========================================================================================================
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: H2O
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: H2O2
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
H2O2(+M)<=>OH+OH(+M)                             2.0E12 0.9 4.8749E4 !\Author: UB !\Ref: TROE, COMBUST. FLAME, 158 !\Comment: RATE CONSTANT IS FOR N2, 
LOW /                                             +2.35301810E+024 -2.29293580E+000 +4.87434050E+004 /
TROE /                                            +4.30000000E-001 +1.00000000E-030 +1.00000000E+030 /
    HE/0.88/
    O2/1.5/
    CO2/1.86/
    N2/1.5/
    CO/2.4/
    H2/2.0/
    H2O/9.0/
    H2O2/9.9/
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
H2O2+H<=>H2O+OH                                   +2.41000000E+013 +0.00000000E+000 +3.97000000E+003 !\Author: AK !\Ref: TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15 !\Comment: WARNING 
H2O2+H=HO2+H2                                     1.65E10 1.0 6.0E3 !\Author: WARNING !\Ref: WARNING !\Comment: Decrease by 25% PW 
H2O2+O<=>OH+HO2                                   +9.55000000E+006 +2.00000000E+000 +3.97000000E+003 !\Author: AK !\Ref: TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15 !\Comment: WARNING 
H2O2+OH<=>H2O+HO2                                 +1.74000000E+012 +0.00000000E+000 +3.18000000E+002 !\Author: AK !\Ref: HONG ET AL. J. PHYS. CHEM. A 114(2010) 5718-5727 !\Comment: WARNING 
DUP
H2O2+OH<=>H2O+HO2                                 +7.59000000E+013 +0.00000000E+000 +7.26900000E+003 !\Author: AK !\Ref: HONG ET AL. J. PHYS. CHEM. A 114(2010) 5718-5727 !\Comment: WARNING 
DUP
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>PRODUCTS
!___________________________________________________________________________________________________________ 
HO2+H=H2+O2                                       +2.80000000E+006 +2.09000000E+000 -1.45100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
HO2+H<=>OH+OH                                     +7.07900000E+013 +0.00000000E+000 +2.95000000E+002 !\Author: AK !\Ref: MUELLER ET AL., INT. J. CHEM. KINET. 31(10)(1999) 705724. !\Comment: WARNING 
HO2+O<=>OH+O2                                     +3.25000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: AK !\Ref: BAULCH ET AL., J. PHYS. CHEM. REF DATA, 21 !\Comment: WARNING 
OH+HO2<=>H2O+O2                                   +1.93000000E+020 -2.49000000E+000 +5.84240000E+002 !\Author: UB !\Ref: M.P. BURKE, S.J. KLIPPENSTEIN, L.B. HARDING, PROC. COMBUST. INST. 34(2013) 547-555 !\Comment: WARNING 
DUP
OH+HO2<=>H2O+O2                                   +1.21000000E+009 +1.24000000E+000 -1.30758000E+003 !\Author: UB !\Ref: M.P. BURKE, S.J. KLIPPENSTEIN, L.B. HARDING, PROC. COMBUST. INST. 34(2013) 547-555 !\Comment: WARNING 
DUP
!HO2+HO2<=>H2O2+O2                                 +1.21400000E+010 +4.22000000E-001 -1.48052000E+003 !\Author: UB !\Ref: M.P. BURKE, S.J. KLIPPENSTEIN, L.B. HARDING, PROC. COMBUST. INST. 34(2013) 547-555 !\Comment: WARNING
!DUP
!HO2+HO2<=>H2O2+O2                                 +1.68800000E+016 -6.81000000E-001 +1.29316600E+004 !\Author: UB !\Ref: M.P. BURKE, S.J. KLIPPENSTEIN, L.B. HARDING, PROC. COMBUST. INST. 34(2013) 547-555 !\Comment: WARNING
!DUP

HO2+HO2=H2O2+O2    1.93E-02	4.12E+00	-4.96E+03!\Author: SP !\Ref: S.J. KLIPPENSTEIN, M.P. BURKE, K.P. SOMERS, 11th U.S. NAT.COMB.MEETING (2019) !\Comment: WARNING 
HO2+HO2=OH+OH+O2   3.205E+17	-1.54E+00	8.54E+03!\Author: SP !\Ref: S.J. KLIPPENSTEIN, M.P. BURKE, K.P. SOMERS, 11th U.S. NAT.COMB.MEETING (2019) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ALPHA_SCISSION
!___________________________________________________________________________________________________________ 
!H+O2(+M)=HO2(+M)                                +4.66000000E+012 +4.40000000E-001 +0.00000000E+000 !\Author: SP !\Ref: TROE _ 2000 / PCCP FERNANDES 2008
!LOW /                                             +1.22500000E+019 -1.20000000E+000 +0.00000000E+000/!\Author: SP !\Ref:Shao et al. Proc. Comb. Inst. 37,(2019):145-152.
!TROE /                                          +5.00E-01	1.00E+00	1.00E+10	1.00E+30 / 
!HE / +0.5700 / AR / +0.65 / N2 / +0.0 / O2 / 1.0 / H2 / +2.00 / CH4 / +2.0000 / CO2 / +3.2500 / H2O / +17.6000 / CO / 4.0/
!!CO / 4.0 / CHANGED TO IMPROVE SYNGAS IDT, CHECK H2O TO INCREASE LEAN FS CONDITION DECREASE IT
!
!
!H+O2(+N2)=HO2(+N2)                                  +4.66000000E+012 +4.40000000E-001 +0.00000000E+000 !\Author: SP !\Ref: TROE _ 2000 / PCCP FERNANDES 2008
!LOW /                                           +4.50E+20	-1.73E+00	0.00E+00/ !\Author: SP !\Ref: Lu, Z. 2020. Hydrogen oxidation near the second explosion limit in a flow reactor
!TROE /                                          +5.00E-01	1.00E+00	1.00E+10	1.00E+30 /

H+O2(+M)=HO2(+M)                                +4.66000000E+012 +4.40000000E-001 +0.00000000E+000 !\Author: SP !\Ref: TROE _ 2000 / PCCP FERNANDES 2008
LOWMX /                                             +1.22500000E+019 -1.20000000E+000 +0.00000000E+000/!\Author: SP !\Ref:Shao et al. Proc. Comb. Inst. 37,(2019):145-152.
TROEMX /                                          +5.00E-01	1.00E+00	1.00E+10	1.00E+30 / 
N2 / +0.0 / HE / +0.5700 / AR / +0.65 / O2 / 1.0 / H2 / +2.00 / CH4 / +2.0000 / CO2 / +3.2500 / H2O / +17.6000 / CO / 4.0/

H+O2(+N2)=HO2(+N2)                                +4.66000000E+012 +4.40000000E-001 +0.00000000E+000 !\Author: SP !\Ref: TROE _ 2000 / PCCP FERNANDES 2008
LOW /                                         +4.50E+20	-1.73E+00	0.00E+00/ !\Author: SP !\Ref: Lu, Z. 2020. Hydrogen oxidation near the second explosion limit in a flow reactor
TROE /                                      +5.00E-01	1.00E+00	1.00E+10	1.00E+30 /

!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: H2O2
!----------------------------------------------------------------------------------------------------------------------------------
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\END_KINETICS_MODULE: H2_O2
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\KINETICS_MODULE: C1
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: CO
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONO
!___________________________________________________________________________________________________________ 
CO+O(+M)<=>CO2(+M)                                +1.36200000E+010 +0.00000000E+000 +2.38400000E+003 !\Author: ?? !\Ref: MEULLER 99 * 0.76 !\Comment: WARNING 
LOW /                                             +1.17300000E+024 -2.79000000E+000 +4.19100000E+003 /
HE / +0.7000 / AR / +0.7000 / CO / +1.7500 / H2 / +2.0000 / CO2 / +3.6000 / H2O / +12.0000 / 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONOH
!___________________________________________________________________________________________________________ 
CO+OH<=>CO2+H                                     +2.30000000E+007 +1.35000000E+000 +9.74000000E+002 !\Author: UB !\Ref: J.P. SENOSIAIN, S.J. KLIPPENSTEIN, J.A. MILLER, PROC. COMBUST. INST. 30(2005) 945-953. !\Comment: WARNING 
PLOG /                           +1.31500000E-002 +2.10000000E+005 +1.90000000E+000 -1.06400000E+003 /
PLOG /                           +1.31500000E-001 +2.50000000E+005 +1.88000000E+000 -1.04300000E+003 /
PLOG /                           +1.31500000E+000 +8.70000000E+005 +1.73000000E+000 -6.85000000E+002 /
PLOG /                           +1.31580000E+001 +6.80000000E+006 +1.48000000E+000 +4.80000000E+001 /
PLOG /                           +1.31580000E+002 +2.30000000E+007 +1.35000000E+000 +9.74000000E+002 /

CO+OH<=>HOCO                                      +1.10000000E+020 -2.78000000E+000 +2.05600000E+003 !\Author: UB !\Ref: J.P. SENOSIAIN, S.J. KLIPPENSTEIN, J.A. MILLER, PROC. COMBUST. INST. 30(2005) 945-953. !\Comment: WARNING 
PLOG /                           +1.31580000E-002 +1.70000000E+015 -2.68000000E+000 +8.59000000E+002 /
PLOG /                           +1.31580000E-001 +5.90000000E+018 -3.35000000E+000 +8.87000000E+002 /
PLOG /                           +1.31580000E+000 +2.60000000E+020 -3.50000000E+000 +1.30900000E+003 /
PLOG /                           +1.31580000E+001 +7.10000000E+020 -3.32000000E+000 +1.76300000E+003 /
PLOG /                           +1.31580000E+002 +1.10000000E+020 -2.78000000E+000 +2.05600000E+003 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONHO2
!___________________________________________________________________________________________________________ 
!CO+HO2<=>CO2+OH                                   +8.55000000E+003 +2.52000000E+000 +1.55600000E+004 !\Author: UB !\Ref: S.J.KLIPPENSTEIN, PROC. COMBUST. INST. 36(2017) 77-111 !\Comment: WARNING 
CO+HO2=CO2+OH    8.350E+03   2.550     1.656E+04
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CO+O2<=>CO2+O                                     +1.11900000E+012 +0.00000000E+000 +4.77000000E+004 !\Author: ?? !\Ref: 86TSA / HAM * 0.44 !\Comment: WARNING 
!===========================================================================================================
!\SUBSPECIES: CO2
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONH
!___________________________________________________________________________________________________________ 
H+CO2<=>OCHO                                      +7.50000000E+013 +0.00000000E+000 +2.90000000E+004 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: CO2
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: HOCO
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
HOCO<=>CO2+H                                      +1.89700000E+038 -8.04700000E+000 +3.42400000E+004 !\Author: ?? !\Ref: JOHN R. BARKER CALCULATION 7 / 3 / 2013 !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +4.75800000E+018 -3.81700000E+000 +1.76760000E+004 /
PLOG /                           +3.00000000E-003 +2.22500000E+020 -4.14900000E+000 +1.90370000E+004 /
PLOG /                           +9.90000000E-003 +7.56400000E+021 -4.43400000E+000 +2.03250000E+004 /
PLOG /                           +2.96000000E-002 +9.10700000E+024 -5.18900000E+000 +2.24190000E+004 /
PLOG /                           +9.87000000E-002 +3.14400000E+029 -6.37600000E+000 +2.52330000E+004 /
PLOG /                           +2.96100000E-001 +1.15000000E+032 -7.03700000E+000 +2.66620000E+004 /
PLOG /                           +9.86900000E-001 +1.06900000E+036 -8.10700000E+000 +2.90640000E+004 /
PLOG /                           +2.96070000E+000 +2.43800000E+036 -8.15300000E+000 +2.93360000E+004 /
PLOG /                           +9.86900000E+000 +6.66300000E+035 -7.91900000E+000 +2.92170000E+004 /
PLOG /                           +2.96070000E+001 +1.72300000E+038 -8.50600000E+000 +3.12730000E+004 /
PLOG /                           +9.86900000E+001 +3.00700000E+041 -9.29000000E+000 +3.39660000E+004 /
PLOG /                           +2.96070000E+002 +6.76700000E+036 -7.83200000E+000 +3.16130000E+004 /
PLOG /                           +9.86900000E+002 +1.89700000E+038 -8.04700000E+000 +3.42400000E+004 /
CO+H2O2<=>HOCO+OH                                 +3.60000000E+004 +2.50000000E+000 +2.86600000E+004 !\Author: SP !\Ref: P GLARBORG P MARSHALL CPL 475(2009) 40-43 !\Comment: WARNING ! 
HOCO+H<=>CO2+H2                                   +3.10000000E+017 -1.34750000E+000 +5.55000000E+002 !\Author: SP !\Ref: H.G. YU, J.S. FRANCISCO, J. CHEM. PHYS. 128(2008) 244315 !\Comment: WARNING 
HOCO+H<=>CO+H2O                                   +6.00000000E+015 -5.25000000E-001 +2.12500000E+003 !\Author: SP !\Ref: H.G. YU, J.S. FRANCISCO, J. CHEM. PHYS. 128(2008) 244315 !\Comment: WARNING 
HOCO+O<=>CO2+OH                                   +8.67000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: H.G. YU, J.T. MUCKERMAN, J.S. FRANCISCO, J. CHEM. PHYS. 127(2007) 094302. !\Comment: WARNING 
HOCO+OH<=>CO2+H2O                                 +4.56000000E+012 +0.00000000E+000 -8.90000000E+001 !\Author: SP !\Ref: YU ET AL., JPCA, 2005, 109(23) !\Comment: WARNING 
DUP
HOCO+OH<=>CO2+H2O                                 +9.54000000E+006 +2.00000000E+000 -8.90000000E+001 !\Author: SP !\Ref: YU ET AL., JPCA, 2005, 109(23) !\Comment: WARNING 
DUP
HOCO+HO2<=>CO2+H2O2                               +3.93000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: YU ET AL., JCP, 2008, 129(21) !\Comment: WARNING 
HOCO+O2<=>CO2+HO2                                 +4.00000000E+009 +1.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: YU ET AL., JPCA, 2005, 109(23) !\Comment: WARNING 
HOCO+CH3<=>CO2+CH4                                +1.36000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: YU AND FRANCISCO, JPCA, 2009, 113(16) !\Comment: WARNING 
HOCO+CH3<=>CH2CO+H2O                              +2.13000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: YU AND FRANCISCO, JPCA, 2009, 113(16) !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: HOCO
!===========================================================================================================
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: CO
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: CH4
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CH3+H(+M)<=>CH4(+M)                               +6.47000000E+013 +1.85000000E-001 -5.40000000E+001 !J.TROE, V.G. USHAKOV, J. CHEM. PHYS. 136(2012) 214309 !\Comment: WARNING 
LOW /                                             +8.54000000E+032 -4.69000000E+000 +2.20000000E+003 /
TROE /                           +5.16194000E-001 +3.63784820E+003 +1.00000000E+000 +1.00000000E+030 /
    H2/4.0/
    H2O/8.0/!pw
    CO/2.3/
    CO2/4.0/
    AR/1.0/
    CH4/5.0/
    C2H6/4.0/
    N2/1.5/
    HE/0.7/
    CH3OH/6.0/
    O2/1.5/
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
CH4+H<=>CH3+H2                                    +4.08000000E+003 +3.16000000E+000 +8.75600000E+003 !\Author: UB !\Ref: J.W.SUTHERLAND, M.-C.SU, J.V.MICHAEL, INT.J.CHEM.KINET. 33(2001) 669-684 !\Comment: WARNING 
CH4+O<=>CH3+OH                                    +4.90000000E+006 +2.20000000E+000 +7.59100000E+003 !\Author: UB !REF !\Ref: WARNING !\Comment: WARNING 
CH4+OH=CH3+H2O    5.65476E6 1.93695 2.6562698E3 !\Author: WARNING !\Ref: J. AGUILERA-IPARRAGUIRRE ET AL. J PHYS CHEM A(2008) 112(30) !\Comment: 1.695E+001 IN ARAMCOMECH1.3(WITH AX1.5) !\Comment: *1.2 
CH4+HO2<=>CH3+H2O2                                +1.12000000E+001 +3.74000000E+000 +2.10090000E+004 !\Author: WARNING !\Ref: J. AGUILERA-IPARRAGUIRRE ET AL. J PHYS CHEM A(2008) 112(30) !\Comment: 1.695E+001 IN ARAMCOMECH1.3(WITH AX1.5) 
CH4+O2CHO<=>CH3+HO2CHO                            +3.22000000E+003 +3.13000000E+000 +1.52000000E+004 !\Author: SP !\Ref: H-H CARSTENSEN, A.M. DEAN, O. DEUTSCHMANN, PROC. COMBUST. INST. 31(2007) 149-157 ! !\Comment: WARNING 
CH4+CH3O2<=>CH3+CH3O2H                            4.45E-3 4.691 1.9868E4 !\Author: WARNING !\Ref: NEW FIT FROM HJC !\Comment: WARNING 
CH3+HO2<=>CH4+O2                                  1.94633E3 2.83 -3.73E3 !\Author: pw !\Ref: ZHU AND LIN ET AL. !\Comment: *1.07 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONCH2
!___________________________________________________________________________________________________________ 
CH4+CH2<=>CH3+CH3                                 +2.46000000E+006 +2.00000000E+000 +8.27000000E+003 !\Author: WARNING !\Ref: GRI 3.0 !\Comment: WARNING 
!===========================================================================================================
!\SUBSPECIES: CH2(S)
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: THIRD_BODY_DEACTIVATION
!___________________________________________________________________________________________________________ 
CH2(S)+N2<=>CH2+N2                                +1.26000000E+013 +0.00000000E+000 +4.30000000E+002 !\Author: UB !\Ref: F.HAYES, W.D.LAWRENCE, W.S.STAKER, K.D.KING, J. PHYS. CHEM. 100(1996) 11314-11318 !\Comment: WARNING 
CH2(S)+AR<=>CH2+AR                                +6.62000000E+012 +0.00000000E+000 +4.54000000E+002 !\Author: UB !\Ref: F.HAYES, W.D.LAWRENCE, W.S.STAKER, K.D.KING, J. PHYS. CHEM. 100(1996) 11314-11318 !\Comment: WARNING 
CH2(S)+H2O<=>CH2+H2O                              +5.48000000E+013 +0.00000000E+000 -4.30000000E+002 !\Author: UB !\Ref: F.HAYES, W.D.LAWRENCE, W.S.STAKER, K.D.KING, J. PHYS. CHEM. 100(1996) 11314-11318 !\Comment: WARNING 
CH2(S)+CO<=>CH2+CO                                +1.26000000E+013 +0.00000000E+000 +4.30000000E+002 !\Author: UB !\Ref: F.HAYES, W.D.LAWRENCE, W.S.STAKER, K.D.KING, J. PHYS. CHEM. 100(1996) 11314-11318 !\Comment: WARNING 
CH2(S)+CO2<=>CH2+CO2                              +5.48000000E+013 +0.00000000E+000 -4.30000000E+002 !\Author: UB !\Ref: F.HAYES, W.D.LAWRENCE, W.S.STAKER, K.D.KING, J. PHYS. CHEM. 100(1996) 11314-11318 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: MISC
!___________________________________________________________________________________________________________ 
CH2(S)+O2=>H+OH+CO                                +1.20140000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: P.-F. LEE, H. MATSUI, W.-Y. CHEN, C.-S. WANG, J. PHYS. CHEM. A, 116(2012) 9245-9254 !\Comment: WARNING 
CH2(S)+O2<=>CO+H2O                                +5.14880000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: P.-F. LEE, H. MATSUI, W.-Y. CHEN, C.-S. WANG, J. PHYS. CHEM. A, 116(2012) 9245-9254 !\Comment: WARNING 
CH2(S)+O<=>CO+H2                                  +1.50000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: GRI 3.0 !\Comment: WARNING 
CH2(S)+O<=>HCO+H                                  +1.50000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: GRI 3.0 !\Comment: WARNING 
CH2(S)+H2<=>CH3+H                                 +7.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: GRI 3.0 !\Comment: WARNING 
CH2(S)+H<=>CH+H2                                  +3.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: GRI 3.0 !\Comment: WARNING 
CH2(S)+OH<=>CH2O+H                                +3.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: GRI 3.0 !\Comment: WARNING 
CH2(S)+CO2<=>CH2O+CO                              +1.40000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: GRI 3.0 !\Comment: WARNING 
C2H2+CH2(S)<=>C2H2+CH2                            +4.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: W. HACH ET AL. BER. BUNSENGES. PHYS. CHEM. 93, 165(1989) !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: CH2(S)
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: CH2
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ALPHA_SCISSION
!___________________________________________________________________________________________________________ 
H+CH2(+M)<=>CH3(+M)                               +6.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: GRI3.0 !\Comment: WARNING 
LOW /                                             +1.04000000E+026 -2.76000000E+000 +1.60000000E+003 /
TROE /                           +5.62000000E-001 +9.10000000E+001 +5.83600000E+003 +8.55200000E+003 /
AR / +0.7000 / CO / +1.5000 / CO2 / +2.0000 / CH4 / +2.0000 / H2 / +2.0000 / C2H6 / +3.0000 / H2O / +6.0000 / 
CH+H2(+M)<=>CH3(+M)                               +1.97000000E+012 +4.30000000E-001 -3.70000000E+002 !\Author: UB !\Ref: GRI3.0 !\Comment: WARNING 
LOW /                                             +4.82000000E+025 -2.80000000E+000 +5.90000000E+002 /
TROE /                           +5.78000000E-001 +1.22000000E+002 +2.53500000E+003 +9.36500000E+003 /
AR / +0.7000 / CO / +1.5000 / CO2 / +2.0000 / CH4 / +2.0000 / H2 / +2.0000 / C2H6 / +3.0000 / H2O / +6.0000 / 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: MISC
!___________________________________________________________________________________________________________ 
!CH2+O2<=>CH2O+O                                   +1.30000000E+005 +2.42020000E+000 +1.60400000E+003 !\Author: UB !\Ref: PRIVATE COMMUNICATION WITH S.J. KLIPPENSTEIN !\Comment: WARNING 
!CH2+O2=>CO2+H+H                                   +1.05000000E+009 +9.92900000E-001 -2.69000000E+002 !\Author: UB !\Ref: PRIVATE COMMUNICATION WITH S.J. KLIPPENSTEIN !\Comment: WARNING 
!CH2+O2=>CO+H+OH                                   +6.50000000E+005 +9.92900000E-001 -2.69000000E+002 !\Author: UB !\Ref: PRIVATE COMMUNICATION WITH S.J. KLIPPENSTEIN !\Comment: WARNING 

CH2+O2=>CO2+2H  4.62E+09	9.93E-01	2.00E+02 ! 2.1E9 0.9929 -2.69E2 !glarborg.2018
CH2+O2=CH2O+O   1.560E+05	2.420	1.604E+03    !!1.95E5 2.4202 1.604E3 !12.987

CH2+O=>CO+H+H                                     +5.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: GRI 3.0 !\Comment: WARNING 


!CH2+H=CH+H2                                     +1.00000000E+018 -1.56000000E+000 +0.00000000E+000 !\Author: UB !\Ref: ARAMCOMECH1.3, COMBINING GRI3.0 AND S.W.MAYER, ET AL. 11TH INT. SYMP. COMBUST. !\Comment: WARNINGNI
!DUP
!CH2+H=CH+H2                                     +2.70000000E+011 +6.70000000E-001 +2.57000000E+004 !\Author: UB !\Ref: ARAMCOMECH1.3, COMBINING GRI3.0 AND S.W.MAYER, ET AL. 11TH INT. SYMP. COMBUST. !\Comment: WARNINGNI
!DUP

CH2+H=CH+H2    1.6E14 0.0 0.0E0


CH2+H2<=>CH3+H                                    +4.40000000E+005 +2.39000000E+000 +7.35000000E+003 !\Author: UB !\Ref: K-W LU, H MATSUI, C-L HUANG, P RAGHUNATH, N-S WANG, MC LIN, J. PHYS. CHEM. A 2010, 114, 54935502 !\Comment: WARNING 
!CH2+OH<=>CH+H2O                                   +1.13000000E+007 +2.00000000E+000 +3.00000000E+003 !\Author: WARNING !\Ref: GRI 3.0 !\Comment: WARNING 

CH2+OH=CH2O+H                        2.8E13  0.1228    -161 !            
! A.W. Jasper, S.J. Klippenstein, L.B. Harding, J. Phys. Chem. A 111 (2007) 8699-8707.
!
CH2+OH=CH+H2O                        8.6E05  2.019     6776 !          
! A.W. Jasper, S.J. Klippenstein, L.B. Harding, J. Phys. Chem. A 111 (2007) 8699-8707.

!DONG 0406
CH2+CH2=>C2H2+H+H                     7.0E13   0.0022      8 !          
! Jasper AW Klippenstein SJ Harding LB JPCA 111:8689-8707 2007
!
CH2+CH2=C2H2+H2                      1.8E13   0.0022      8 !          
! Jasper AW Klippenstein SJ Harding LB JPCA 111:8689-8707 2007
!
CH3+CH2=C2H4+H                       1.2E15  -0.3432    153 !      
! Jasper AW Klippenstein SJ Harding LB JPCA 111:8689-8707 2007
CH2+C2H2=H+C3H3                                         1.2000e+13    0.000      6620.00  !CRECK=ITV2015
!CH2(S)+C2H2=H+C3H3                                      2.0000e+13    0.000         0.00  !1.9000e+14 in ITV2015; 2.0000e+13 in CRECK 

C2H2+CH2(S)=>C3H3+H  7.06E+15 -6.62E-01  3.77E+01 !! RATES FROM POLINO ET AL., JPCA, 117 (2013), 12677-12692
DUP
C2H2+CH2(S)=>C3H3+H  6.63E+07 1.48E+00 -1.65E+03 !! RATES FROM POLINO ET AL., JPCA, 117 (2013), 12677-12692
DUP
!===========================================================================================================
!\ENDSUBSPECIES: CH2
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: CHV
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: THIRD_BODY_DEACTIVATION
!___________________________________________________________________________________________________________ 
CHV+AR<=>CH+AR                                    +4.00000000E+011 +5.00000000E-001 +0.00000000E+000 !\Author: ?? !\Ref: HWANG, GARDINER, FRENKLACH, HIDAKA, COMB. FL. 67, 65-75(1987) !\Comment: CHV+M<=>CH+M 
CHV+H2O<=>CH+H2O                                  +5.30000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: ?? !\Ref: HWANG, GARDINER, FRENKLACH, HIDAKA, COMB. FL. 67, 65-75(1987) !\Comment: WARNING 
CHV+CO<=>CH+CO                                    +2.44000000E+012 +5.00000000E-001 +0.00000000E+000 !\Author: ?? !\Ref: HWANG, GARDINER, FRENKLACH, HIDAKA, COMB. FL. 67, 65-75(1987) !\Comment: WARNING 
CHV+CO2<=>CH+CO2                                  +2.41000000E-001 +4.30000000E+000 -1.69400000E+003 !\Author: ?? !\Ref: HWANG, GARDINER, FRENKLACH, HIDAKA, COMB. FL. 67, 65-75(1987) !\Comment: WARNING 
CHV+O2<=>CH+O2                                    +2.48000000E+006 +2.14000000E+000 -1.72000000E+003 !\Author: ?? !\Ref: HWANG, GARDINER, FRENKLACH, HIDAKA, COMB. FL. 67, 65-75(1987) !\Comment: WARNING 
CHV+H2<=>CH+H2                                    +1.47000000E+014 +0.00000000E+000 +1.36100000E+003 !\Author: ?? !\Ref: HWANG, GARDINER, FRENKLACH, HIDAKA, COMB. FL. 67, 65-75(1987) !\Comment: WARNING 
CHV+CH4<=>CH+CH4                                  +1.73000000E+013 +0.00000000E+000 +1.67000000E+002 !\Author: ?? !\Ref: HWANG, GARDINER, FRENKLACH, HIDAKA, COMB. FL. 67, 65-75(1987) !\Comment: WARNING 
CHV<=>CH                                          +1.86000000E+006 +0.00000000E+000 +0.00000000E+000 !\Author: ?? !\Ref: HWANG, GARDINER, FRENKLACH, HIDAKA, COMB. FL. 67, 65-75(1987) !\Comment: WARNING 
CHV+N2<=>CH+N2                                    +3.03000000E+002 +3.40000000E+000 -3.81000000E+002 !\Author: ?? !\Ref: HWANG, GARDINER, FRENKLACH, HIDAKA, COMB. FL. 67, 65-75(1987) !\Comment: WARNING 
C+H+M<=>CHV+M                                     +6.00000000E+014 +0.00000000E+000 +6.94000000E+003 !\Author: ?? !\Ref: KATHROTIA ET AL. COMB & FLAME 2010 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: MISC
!___________________________________________________________________________________________________________ 
CH+O2<=>CO+OHV                                    +3.24000000E+014 -4.00000000E-001 +4.15000000E+003 !\Author: ABS !\Ref: HALL AND PETERSEN IJCK 2006 !\Comment: WARNING 
CH+O2<=>HCO+O                                     +3.24000000E+014 -4.00000000E-001 +4.15000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH+O2=>H+CO+O                                     +4.86000000E+014 -4.00000000E-001 +4.15000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH+O2<=>H+CO2                                     +4.86000000E+014 -4.00000000E-001 +4.15000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH+O<=>CO+H                                       +5.70000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: MESSING ET AL.,J. CHEM. PHYS. 74, 3874(1981) !\Comment: WARNING 
CH+H<=>C+H2                                       +1.10000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: GRI 3.0 !\Comment: WARNING 
CH+OH<=>HCO+H                                     +3.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: GLARBORG, MILLER, AND KEE, WESTERN STATES SECTION, SAN ANTONIO(1985) !\Comment: WARNING 
!CH+H2O<=>H+CH2O                                   +1.77400000E+016 -1.22000000E+000 +2.38000000E+001 !\Author: WARNING !\Ref: BERGEAT ET AL., CHEM. PHYS. LETT. 480, 21(2009) !\Comment: WARNING 
CH+H2O=H+CH2O     2.80E+07 1.59E+00 -2.61E+03
CH+CO2<=>HCO+CO                                   +1.70000000E+012 +0.00000000E+000 +6.85000000E+002 !\Author: WARNING !\Ref: BERMAN, FLEMING, HARVEY AND LIN, 19TH SYMP. COMB. P. 73, 1982 !\Comment: X0.5 
!===========================================================================================================
!\ENDSUBSPECIES: CHV
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: C
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: MISC
!___________________________________________________________________________________________________________ 
C+OH<=>CO+H                                       +5.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: GLARBORG, MILLER, AND KEE, WESTERN STATES SECTION, SAN ANTONIO(1985) !\Comment: WARNING 
C+O2<=>CO+O                                       +5.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: GLARBORG, MILLER, AND KEE, WESTERN STATES SECTION, SAN ANTONIO(1985) !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: C
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: CH3
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CH3+O2(+M)<=>CH3O2(+M)                            +7.81200000E+009 +9.00000000E-001 +0.00000000E+000 !\Author: ?? !\Ref: R.X. FERNANDES ET AL.,J PHYS. CHEM. A,(2006) 110 !\Comment: WARNING 
LOW /                                             +6.85000000E+024 -3.00000000E+000 +0.00000000E+000 /
TROE /                           +6.00000000E-001 +1.00000000E+003 +7.00000000E+001 +1.70000000E+003 /
CH3+O2<=>CH3O+O                                   +7.54600000E+012 +0.00000000E+000 +2.83200000E+004 !\Author: ?? !\Ref: N. K. SRINIVASAN ET AL.,J. PHYS. CHEM. A 109, 7902-7914(2005) !\Comment: WARNING 
CH3+O2<=>CH2O+OH                                6.969E+01 2.858 9771.040 !\Author: WARNING !\Ref: Herbon !\Comment: WARNING 

!CH3O2=CH2O+OH	8.25E+2 0.85 39000.0 !\Author: SP !\Ref: Villano, The Journal of Physical Chemistry A 115, no. 46 (2011): 13425-13442. !\Comment: N CHANGED 

CH3O2=CH2O+OH    4.31E+19	-3.86	36270
PLOG/0.01	6.33E+27	-7.76	32710 /
PLOG/0.1	5.07E+26	-7.27	32970 /
PLOG/1	4.45E+24	-6.39	33330 / 
PLOG/10	8.79E+20	-4.86	33770 /
PLOG/100	4.31E+19	-3.86	36270 /

CH3O2=CH2O2H   2.27230796E5 2.3806627 4.16096859E4

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONO
!___________________________________________________________________________________________________________ 
CH3+O<=>CH2O+H                                    +5.54000000E+013 +5.00000000E-002 -1.36000000E+002 !\Author: UB !\Ref: HARDING AND KLIPPENSTEIN 2B04, 30TH SYMP 2004. !\Comment: REVERTING TO ORIGINAL PRODUCTS DUE TO CONVERGENCE PROBLEMS 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONOH
!___________________________________________________________________________________________________________ 
CH3+OH<=>CH2+H2O                                  +4.29300000E+004 +2.56800000E+000 +3.99780000E+003 !\Author: ?? !\Ref: FROM JASPER / KLIPP,J.PHYS.CHEM A 111,19,3932-3950 !\Comment: WARNING 
CH3+OH<=>CH2(S)+H2O                               +8.43300000E+019 -1.96200000E+000 +8.24400000E+003 !\Author: ?? !\Ref: FROM JASPER / KLIPP,J.PHYS.CHEM A 111,19,3932-3950 !\Comment: ONLY INCLUDING TRANS HCOH FOR SIMPLICITY, DO NOT HAVE TO COMBINE THE K'S. IT'S NOT REALLY SIG !CH3+OH<=>CH2(S)+H2O +4.9360000E+014 -6.6900000E-001 -4.4580000E+002 
PLOG /                           +1.00000000E-002 +4.93600000E+014 -6.69000000E-001 -4.45800000E+002 /
PLOG /                           +1.00000000E-001 +1.20700000E+015 -7.78000000E-001 -1.75600000E+002 /
PLOG /                           +1.00000000E+000 +5.28200000E+017 -1.51800000E+000 +1.77200000E+003 /
PLOG /                           +1.00000000E+001 +4.78800000E+023 -3.15500000E+000 +7.00300000E+003 /
PLOG /                           +1.00000000E+002 +8.43300000E+019 -1.96200000E+000 +8.24400000E+003 /
CH3+OH<=>CH2O+H2                                  +9.49400000E+018 -2.19900000E+000 +9.76900000E+003 !\Author: ?? !\Ref: FROM JASPER / KLIPP,J.PHYS.CHEM A 111,19,3932-3950 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.50200000E+005 +1.44100000E+000 -3.24400000E+003 /
PLOG /                           +1.00000000E-001 +8.85400000E+005 +1.32700000E+000 -2.97500000E+003 /
PLOG /                           +1.00000000E+000 +1.65000000E+007 +9.73000000E-001 -2.01000000E+003 /
PLOG /                           +1.00000000E+001 +5.37400000E+009 +2.87000000E-001 +2.80000000E+002 /
PLOG /                           +1.00000000E+002 +9.49400000E+018 -2.19900000E+000 +9.76900000E+003 /
CH3+OH=CH2OH+H                                    +2.33350000E+014 -1.86000000E-001 +8.60000000E+003 !\Author: UB !\Ref: FROM JASPER / KLIPP,J.PHYS.CHEM A 111,19,3932-3950 !\Comment: 1.3*A\ 
PLOG /                           +1.00000000E-002 +1.05365000E+010 +9.65000000E-001 +3.21000000E+003 /
PLOG /                           +1.00000000E-001 +1.17455000E+010 +9.50000000E-001 +3.25000000E+003 /
PLOG /                           +1.00000000E+000 +3.04590000E+010 +8.33000000E-001 +3.57000000E+003 /
PLOG /                           +1.00000000E+001 +9.91250000E+012 +1.34000000E-001 +5.64000000E+003 /
PLOG /                           +1.00000000E+002 +2.33350000E+014 -1.86000000E-001 +8.60000000E+003 /
CH3+OH<=>H+CH3O                                   +5.24200000E+010 +5.51000000E-001 +1.30700000E+004 !\Author: ?? !\Ref: FROM JASPER / KLIPP,J.PHYS.CHEM A 111,19,3932-3950 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.18600000E+009 +1.01600000E+000 +1.19400000E+004 /
PLOG /                           +1.00000000E-001 +1.18800000E+009 +1.01600000E+000 +1.19400000E+004 /
PLOG /                           +1.00000000E+000 +1.23000000E+009 +1.01100000E+000 +1.19500000E+004 /
PLOG /                           +1.00000000E+001 +1.79800000E+009 +9.65000000E-001 +1.20600000E+004 /
PLOG /                           +1.00000000E+002 +5.24200000E+010 +5.51000000E-001 +1.30700000E+004 /
CH3+OH<=>HCOH+H2                                  +7.25000000E+020 -2.40200000E+000 +9.63900000E+003 !\Author: ?? !\Ref: FROM JASPER / KLIPP,J.PHYS.CHEM A 111,19,3932-3950 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.67400000E+008 +7.87000000E-001 -3.04600000E+003 /
PLOG /                           +1.00000000E-001 +3.11500000E+009 +6.30000000E-001 -2.66900000E+003 /
PLOG /                           +1.00000000E+000 +1.55700000E+011 +1.56000000E-001 -1.36800000E+003 /
PLOG /                           +1.00000000E+001 +1.70400000E+021 -2.64100000E+000 +6.41200000E+003 /
PLOG /                           +1.00000000E+002 +7.25000000E+020 -2.40200000E+000 +9.63900000E+003 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+HO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CH3+HO2<=>CH3O+OH                                 1.0E12 0.269 -6.875E2 !\Author: PE !\Ref: Hong1.0E12 0.269 -6.875E !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: CH3
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: CH3O2
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>PRODUCTS
!___________________________________________________________________________________________________________ 
!\Author: WARNING !\Ref: LIGHTFOOT ET AL. J. CHEM. SOC. FARA TRANS. 1991, 87(19), 3213--3220. !\Comment: WARNING
CH3O2+O=CH3O+O2    3.6E13 0.0 0.0E0
!\Author: WARNING !\Ref: LIGHTFOOT ET AL. J. CHEM. SOC. FARA TRANS. 1991, 87(19), 3213--3220. !\Comment: WARNING
CH3O2+H=CH3O+OH    9.6E13 0.0 0.0E0
!CH3O2+OH(=)CH3OH+O2                               +6.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LIGHTFOOT ET AL. J. CHEM. SOC. FARA TRANS. 1991, 87(19), 3213--3220. !\Comment: WARNINGRN
! +2.47000000E+011 +0.00000000E+000 -1.57000000E+003 !\Author: WARNING !\Ref: LIGHTFOOT,P.D. ET AL., ATMOS. ENVIRON. PART A !\Comment: WARNING
CH3O2+HO2=CH3O2H+O2    2.5E11 0.0 -1.49E3
! C. Yan, S. Kocevska, L.N. Krasnoperov, J. Phys. Chem. A 2016, 120, 6111-6121
CH3O2+OH=CH3O+HO2    5.11E15 -0.81 0.0E0
CH3O2+CH3=CH3OH+CH2O    4.39E6 1.55 -1.8895E3
!BR, 0.1, Elrod, M. J., Ranschaert, D. L., _ Schneider, N. J. (2001)33(6)363-376
CH3O2+HO2=>O2+CH2O+H2O    2.47E10 0.0 -1.57E3
CH3O2+CH3=CH3OOCH3    8.08E39 -9.37 5.764E3
    PLOG/1.0E1 4.57E30 -7.41E0 4.005E3/
    PLOG/3.0E1 3.17E36 -8.78E0 4.621E3/
    PLOG/1.0E2 8.08E39 -9.37E0 5.764E3/
CH3OOCH3=2CH3O    5.23E34 -6.07 4.37E4
    PLOG/1.0E-2 7.8E51 -1.241E1 4.61E4/
    PLOG/3.0E-2 3.4E51 -1.214E1 4.63E4/
    PLOG/1.0E-1 6.39E50 -1.174E1 4.65E4/
    PLOG/3.0E-1 1.65E49 -1.11E1 4.65E4/
    PLOG/1.0E0 1.1E47 -1.028E1 4.63E4/
    PLOG/3.0E0 3.02E44 -9.37E0 4.59E4/
    PLOG/1.0E1 3.57E41 -8.35E0 4.54E4/
    PLOG/3.0E1 1.43E38 -7.21E0 4.4595E4/
    PLOG/1.0E2 5.23E34 -6.07E0 4.37E4/
CH3OOCH3=CH3OH+CH2O    4.97E28 -4.7744 4.21E4
    PLOG/1.0E-2 1.2E49 -1.214E1 4.5E4/
    PLOG/3.0E-2 9.47E47 -1.1651E1 4.51E4/
    PLOG/1.0E-1 4.48E46 -1.1077E1 4.52E4/
    PLOG/3.0E-1 3.57E44 -1.0278E1 4.5E4/
    PLOG/1.0E0 9.68E41 -9.3295E0 4.47E4/
    PLOG/3.0E0 1.33E39 -8.3145E0 4.43E4/
    PLOG/1.0E1 9.56E35 -7.2175E0 4.37E4/
    PLOG/3.0E1 2.13E32 -5.9876E0 4.2901E4/
    PLOG/1.0E2 4.97E28 -4.7744E0 4.21E4/
!CH3O2+HO2=CH3O2H+O2    4.0E10 0.0 -2.6E3
!CH3O2+HO2=)O2+CH2O+H2O    5.0E10 0.0 0.0E0
!CH3O2+H2O2(=)CH3O2H+HO2                           +2.41000000E+012 +0.00000000E+000 +9.93600000E+003 !\Author: WARNING !\Ref: !REF !\Comment: ADDED 29 / 07 / 2015
CH3O2H+HO2=CH3O2+H2O2    4.1E4 2.5 1.0206E4
!\Author: WARNING !\Ref: WARNING !\Comment: WARNING
CH3O2+CH3=2CH3O     5.43957E+11 +3.53000000E-001 -1.46000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!\Author: WARNING !\Ref: LIGHTFOOT ET AL. J. CHEM. SOC. FARA TRANS. 1991, 87(19), 3213--3220. !\Comment: WARNING
2CH3O2=>CH2O+CH3OH+O2    3.11E14 -1.61 -1.051E3
!\Author: WARNING !\Ref: LIGHTFOOT ET AL. J. CHEM. SOC. FARA TRANS. 1991, 87(19), 3213--3220. !\Comment: WARNING
2CH3O2=>O2+2CH3O    1.4E16 -1.61 1.86E3
!___________________________________________________________________________________________________________
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________
CH3O2H+H=H2+CH2O+OH    6.29E4 3.01 7.007E3
CH3O2H+H=CH3O2+H2    5.51E1 3.56 2.615E3
CH3O2H+H=CH3O+H2O    8.413E0 3.83 2.1E3
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: KHP_HOMOLYTIC_FISSION
!___________________________________________________________________________________________________________ 
!\Author: SP !\Ref: A.W.JASPER, S.J.KLIPPENSTEIN, L.B.HARDING, PROC.COMBUST.INST. 32(2009) 279-286 !\Comment: WARNING
CH3O2H(+M)=CH3O+OH(+M)    4.04972E19 -1.153 4.425049E4
    LOW/3.80285E42 -7.502E0 4.6756097E4/
    TROE/8.375E-1 3.6562E4 4.988E2 9.99E3/
!\Author: UB !\Ref: ING W-C SHENG CY BOZZELLI JW FUEL PROC. TECHNOL. 83 !\Comment: WARNING
CH2O2H=CH2O+OH    7.0E14 -1.064 1.744E3
    PLOG/4.0E-2 9.6E10 -9.25E-1 1.567E3/
    PLOG/1.0E0 2.4E12 -9.25E-1 1.567E3/
    PLOG/1.0E1 2.5E13 -9.27E-1 1.579E3/
    PLOG/1.0E2 7.0E14 -1.064E0 1.744E3/
!\Author: UB !\Ref: A.W.JASPER, S.J.KLIPPENSTEIN, L.B.HARDING, PROC.COMBUST.INST. 32(2009) 279-286 !\Comment: WARNING
CH3O+OH=CH2O+H2O    3.6192E2 2.4976 1.889448E3
! RAS/GLA08b CEC05
CH3O2H+O=CH2O2H+OH    1.6E13 0.0 4.75E3
! RAS/GLA08b CEC05
CH3O2H+O=CH3O2+OH    8.7E12 0.0 4.75E3
! RAS/GLA08b CEC05 (fit to VAG/RAV89)
CH3O2H+OH=CH3O2+H2O    1.1E12 0.0 -4.37E2
! RAS/GLA08b CEC05 (fit to VAG/RAV89)
CH3O2H+OH=CH2O2H+H2O    7.2E11 0.0 -2.58E2
!===========================================================================================================
!\ENDSUBSPECIES: CH3O2
!===========================================================================================================
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: CH4
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: CH3OH
!\MECHCOMMENTS: HCOH IS FORMED FROM CH3+OH, IT IS NOT NECESSARY FOR FORMALDEHYDE OXIDATION, AND MINOR FOR CH4 /CH3OH
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CH3OH(+M)<=>CH3+OH(+M)                            +2.08400000E+018 -6.15000000E-001 +9.25406000E+004 !\Author: SP !\Ref: FROM JASPER / KLIPP,J.PHYS.CHEM A 111,19,3932-3950 !\Comment: NEGLECTING HCOH CHANNELS AS THEY ARE NOT IMPORTANT 
LOW /                                             +1.50000000E+043 -6.99500000E+000 +9.79922000E+004 /
TROE /                           +7.65600000E-001 +5.95100000E+001 +1.91000000E+003 +9.37400000E+003 /
CH3OH(+M)<=>CH2(S)+H2O(+M)                        +3.12100000E+018 -1.01700000E+000 +9.17120000E+004 !\Author: SP !\Ref: FROM JASPER / KLIPP,J.PHYS.CHEM A 111,19,3932-3950 !\Comment: NEGLECTING HCOH CHANNELS AS THEY ARE NOT IMPORTANT 
LOW /                                             +1.43000000E+047 -8.22700000E+000 +9.94171000E+004 /
TROE /                           +9.92200000E-001 +4.73100000E+004 +9.43000000E+002 +4.71100000E+004 /
CH3OH(+M)<=>CH2OH+H(+M)                           +7.89600000E-003 +5.03800000E+000 +8.44674000E+004 !\Author: SP !\Ref: FROM JASPER / KLIPP,J.PHYS.CHEM A 111,19,3932-3950 !\Comment: NEGLECTING HCOH CHANNELS AS THEY ARE NOT IMPORTANT 
LOW /                                             +3.39000000E+042 -7.24400000E+000 +1.05230300E+005 /
TROE /                           +6.84300000E-001 +4.14930000E+004 +3.70490000E+004 +3.98000000E+003 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
CH3OH+H<=>CH2OH+H2                                +1.35000000E+003 +3.20000000E+000 +3.48800000E+003 !\Author: UB !\Ref: J.T.JODKOWSKI, ET AL, J. PHYS. CHEM.A, 103(1999) 3750-3765 \ !COMMENT !\Comment: WARNING 
CH3OH+H<=>CH3O+H2                                 +4.10000000E+004 +2.65800000E+000 +9.22100000E+003 !\Author: UB !\Ref: J.I.MOSES ET AL. J. ASTROPHYS. 737(2011) 15 !\Comment: WARNING 
CH3OH+O<=>CH3O+OH                                 +1.70000000E+012 +0.00000000E+000 +2.28500000E+003 !\Author: UB !\Ref: H.F.LEFEVRE ET AL. INT. J. CHEM. KINET. 4(1972) 103 !\Comment: WARNING 
CH3OH+O<=>CH2OH+OH                                +3.88000000E+005 +2.50000000E+000 +3.08000000E+003 !\Author: UB !\Ref: TSANG, JPC REF. DATA, 16 !\Comment: WARNING 
CH3OH+OH<=>CH3O+H2O                               +1.50000000E+002 +3.03000000E+000 -7.63000000E+002 !\Author: UB !\Ref: XU ET AL. PROC 31 2007 159-166 !\Comment: WARNING 
CH3OH+OH<=>CH2OH+H2O                              +3.08000000E+004 +2.65000000E+000 -8.06700000E+002 !\Author: UB !\Ref: XU ET AL. PROC 31 2007 159-166 !\Comment: WARNING 
CH3O+HO2<=>CH3OH+O2                               +1.40000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: MOUSAVIPOUR, S. H.; HOMAYOON, Z. J PHYS CHEM A 2011, 115, 3291-3300 !\Comment: WARNING 
CH3OH+O2<=>CH2OH+HO2                              +3.58000000E+005 +2.27000000E+000 +4.27645000E+004 !\Author: UB !\Ref: S. J. KLIPPENSTEIN, L. B. HARDING, M. J. DAVIS, A. S. TOMLIN, R. T. SKODJE, PCI, 33(2011) 351-357 !\Comment: ULTAN ADDED 21 / 08 / 15 
CH3OH+HO2=CH3O+H2O2    1.22E12 0.0 2.00707E4!\Author:  WARNING !\Ref: M. ALTARAWNEH, A. H. AL-MUHTASEB, B. Z. DLUGOGORSKI, E. M. KENNEDY, J. C. MACKIE, J. COMP. CHEM. 32(2011) 1725-1733 !\Comment: decrease 20%
CH3OH+HO2=CH2OH+H2O2    2.61E13 0.0 1.87822E4!\Author: pw !\Ref: M. ALTARAWNEH, A. H. AL-MUHTASEB, B. Z. DLUGOGORSKI, E. M. KENNEDY, J. C. MACKIE, J. COMP. CHEM. 32(2011) 1725-1733 !\Comment: decrease 20%
CH3OH+CH3<=>CH2OH+CH4                             +2.13000000E-001 +3.95300000E+000 +7.05510000E+003 !\Author: UB !\Ref: I. M. ALECU, D. G. TRUHLAR, J. PHYS. CHEM. A, 115(2011) 14599-14611 !\Comment: ULTAN ADDED 21 / 08 / 15 
CH3OH+CH3<=>CH3O+CH4                              +3.22000000E+003 +2.42500000E+000 +8.57950000E+003 !\Author: UB !\Ref: I. M. ALECU, D. G. TRUHLAR, J. PHYS. CHEM. A, 115(2011) 14599-14611 !\Comment: ULTAN ADDED 21 / 08 / 15 
CH3OH+HCO<=>CH2OH+CH2O                            +9.63000000E+003 +2.90000000E+000 +1.31100000E+004 !\Author: UB !\Ref: TSANG, JPC REF. DATA, 16 !\Comment: WARNING 
CH3OH+CH3O<=>CH2OH+CH3OH                          +3.00000000E+011 +0.00000000E+000 +4.07400000E+003 !\Author: UB !\Ref: TSANG, JPC REF. DATA, 16 !\Comment: WARNING 
CH3OH+CH3O2<=>CH2OH+CH3O2H                        +1.81000000E+012 +0.00000000E+000 +1.37100000E+004 !\Author: UB !\Ref: TSANG, JPC REF. DATA, 16 !\Comment: WARNING 
!===========================================================================================================
!\SUBSPECIES: CH2OH
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>RH+RH
!___________________________________________________________________________________________________________ 
CH2OH+O2=CH2O+HO2    7.200E+13	0.000	3.736E+03
    DUP
CH2OH+O2=CH2O+HO2    2.9E16 -1.5 0.0E0
    DUP
!\Author: SP !\Ref: XU K XU ZF LIN MC MOL PHYS 105 !\Comment: WARNING
CH2OH+H=CH2O+H2    4.0E6 1.86 1.47E2
CH2OH+HO2=HOCHO+H2O    3.59901E12 0.12 4.54E2
!\Author: WARNING !\Ref: NORTON, T.S ET AL., IJCK.(1991). !\Comment: WARNING
CH2OH+HO2=CH2O+H2O2    1.2E13 0.0 0.0E0
CH2OH+CH3O2=CH3O+HOCH2O    6.34262301E8 0.89 -2.485E3
CH2OH+CH3O2=CH3OH+HOCHO    2.32688796E0 2.74 -3.566E3
CH2OH+CH3O2=CH2O+CH3O2H    6.18751523E-1 2.69 -3.428E3
!\Author: WARNING !\Ref: NORTON, T.S ET AL., IJCK.(1991). !\Comment: WARNING
CH2OH+CH3O=CH2O+CH3OH    2.4E13 0.0 0.0E0
!\Author: WARNING !\Ref: TSANG, JPC REF. DATA, 16 !\Comment: WARNING
CH2OH+OH=H2O+CH2O    2.4E13 0.0 0.0E0
!\Author: WARNING !\Ref: TSANG, JPC REF. DATA, 16 !\Comment: WARNING
CH2OH+O=OH+CH2O    4.2E13 0.0 0.0E0
!\Author: WARNING !\Ref: TSANG, JPC REF. DATA, 16 !\Comment: WARNING
2CH2OH=CH2O+CH3OH    3.0E12 0.0 0.0E0
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+HO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CH2OH+HO2<=>HOCH2O+OH                             +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: CH2OH
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: CH3O
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>RH+RH
!___________________________________________________________________________________________________________ 
CH3O+O2<=>CH2O+HO2                                +2.17000000E+010 +0.00000000E+000 +1.74870000E+003 !\Author: UB !\Ref: BAULCH ET AL. J. PHYS. CHEM. REF. DATA, 34(2005) 757 !\Comment: WARNING 
CH3O+H<=>CH2O+H2                                  +2.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: HOYERMANN ET AL., 18TH SYMPOSIUM !\Comment: WARNING 
CH3O+HO2<=>CH2O+H2O2                              +3.01000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15 !\Comment: WARNING 
CH3O+CH3<=>CH2O+CH4                               +1.20000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
2CH3O=CH3OH+CH2O    1.44E5 2.45 -2.26E3
!===========================================================================================================
!\ENDSUBSPECIES: CH3O
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: HCOH
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>PRODUCTS
!___________________________________________________________________________________________________________ 
HCOH+O2=>CO2+H+OH                                 +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: MARINOV 1996 !\Comment: WARNING 
HCOH+O2<=>CO2+H2O                                 +3.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: MARINOV 1996 !\Comment: WARNING 
HCOH+O=>CO2+H+H                                   +5.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: MARINOV 1996 !\Comment: WARNING 
HCOH+O=>CO+OH+H                                   +3.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: MARINOV 1996 !\Comment: WARNING 
HCOH+H<=>CH2O+H                                   +2.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: MARINOV 1996 !\Comment: WARNING 
HCOH+OH<=>HCO+H2O                                 +2.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: MARINOV 1996 !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: HCOH
!===========================================================================================================
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: CH3OH
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: CH2O
!\MECHCOMMENTS: THE REACTION OCHO+OH<=>HO2CHO SEEMS TO BE A DEAD END OF SORTS, HO2CHO HAS A LIMITED SET OF CONSUMPTION / CROSS-REACTIONS(KPS, 28 / 06 / 2015)
!\MECHCOMMENTS: THE REACTION SEQUENCE H+CO2<=>OCHO=>PRODUCTS MEANS THAT THE THE CO / CH2O MECHANISMS ARE INEXTRICABLY LINKED "IN THEORY". I AM NOT SURE ABOUT "IN PRACTICE".(KPS, 28 / 06 / 2015)
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
HCO+H(+M)<=>CH2O(+M)                              +1.09000000E+012 +4.80000000E-001 -2.60000000E+002 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
LOW /                                             +1.35000000E+024 -2.57000000E+000 +1.42500000E+003 /
TROE /                           +7.82400000E-001 +2.71000000E+002 +2.75500000E+003 +6.57000000E+003 /
CO+H2(+M)<=>CH2O(+M)                              +4.30000000E+007 +1.50000000E+000 +7.96000000E+004 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
LOW /                                             +5.07000000E+027 -3.42000000E+000 +8.43480000E+004 /
TROE /                           +9.32000000E-001 +1.97000000E+002 +1.54000000E+003 +1.03000000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
CH2O+O2<=>HCO+HO2                                 +8.07000000E+015 +0.00000000E+000 +5.34200000E+004 !\Author: WARNING !\Ref: N. K. SRINIVASAN ET AL.,J. PHYS. CHEM. A 109, 7902-7914(2005) !\Comment: WARNING 
CH2O+O<=>HCO+OH                                   +6.26000000E+009 +1.15000000E+000 +2.26000000E+003 !\Author: WARNING !\Ref: CURRAN FIT TO NIST DATABASE !\Comment: WARNING 
CH2O+H<=>HCO+H2                                   +1.06911540E+005 +2.73093000E+000 +1.88714000E+003 !\Author: UB !\Ref: S.WANG ET AL. J.PHYS.CHEM.A, 118(2014) 10201-10209 !\Comment: RE-FIT TO INCLUDE BRANCHING RATIO TO PROMPT PATHWAY 
CH2O+OH<=>HCO+H2O                                 +2.18500000E+009 +1.17820000E+000 -5.76020000E+002 !\Author: UB !\Ref: V. VASUDEVAN ET AL. IJCK. 37 !\Comment: RE-FIT TO REMOVE NEGATIVE A-FACTOR BUT RETAIN BRANCHING RATIO TO PROMPT PATHWAY 
CH2O+HO2<=>HCO+H2O2                               +7.10000000E-003 +4.51700000E+000 +6.58000000E+003 !\Author: UB/HJC !\Ref: ROBERTSON, S. H.; SEAKINS, P. W.; PILLING, M. J. CHEMICAL KINETICS, IN PILLING, M. J., ED.; ELSEVIER !\Comment: WARNING 
CH2O+CH3<=>HCO+CH4                                +2.93000000E-002 +4.30000000E+000 +2.83100000E+003 !\Author: UB !\Ref: NIST FIT TO AVAILABLE EXP. 26-02-2018 !\Comment: WARNING 
CH2O+O2CHO<=>HCO+HO2CHO                           +1.99000000E+012 +0.00000000E+000 +1.16600000E+004 !\Author: WARNING !\Ref: ANALOGY WITH CH3O2+CH2O TSANG / HAMPSON 1986 !\Comment: WARNING 
CH2O+OCHO<=>HCO+HOCHO                             +5.60000000E+012 +0.00000000E+000 +1.36000000E+004 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
CH2O+CH3O<=>HCO+CH3OH                             +6.62000000E+011 +0.00000000E+000 +2.29400000E+003 !\Author: WARNING !\Ref: FITTSCHEN, C., J. CHIM. PHYS. 95 !\Comment: WARNING 
CH2O+CH3O2<=>HCO+CH3O2H                           +1.99000000E+012 +0.00000000E+000 +1.16600000E+004 !\Author: WARNING !\Ref: TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: PROMPT_ALPHA_SCISSION
!___________________________________________________________________________________________________________ 
CH2O+OH=>H+CO+H2O                                 +2.56500000E+011 +6.93040000E-001 +9.36870000E+003 !\Author: UB !\Ref: N.J.LABBE, R.SIVARAMAKRISHNAN, C.FRANKLIN-GOLDSMITH, Y.GEORGIEVSKII, J.A.MILLER, S.J.KLIPPENSTEIN, J.PHYS.CHEM.LETT. 7(2016) 85-89 !\Comment: WARNING 
CH2O+H=>H+CO+H2                                   +1.94000000E+007 +2.19200000E+000 +1.17402900E+004 !\Author: UB !\Ref: N.J.LABBE, R.SIVARAMAKRISHNAN, C.FRANKLIN-GOLDSMITH, Y.GEORGIEVSKII, J.A.MILLER, S.J.KLIPPENSTEIN, J.PHYS.CHEM.LETT. 7(2016) 85-89 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ALPHA_SCISSION
!___________________________________________________________________________________________________________ 
HCO+M<=>H+CO+M                                    +4.75000000E+011 +6.60000000E-001 +1.48700000E+004 !\Author: UB !\Ref: LI ET AL. IJCK 2007 !\Comment: REMOVED X1.2 
CO / +1.5000 / CH4 / +2.0000 / H2 / +2.0000 / CO2 / +2.0000 / C2H6 / +3.0000 / H2O / +6.0000 / 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>RH_RH
!___________________________________________________________________________________________________________ 
HCO+O2<=>CO+HO2                                   +1.20000000E+010 +8.07000000E-001 -7.27000000E+002 !\Author: SP !\Ref: HSU ET AL. !\Comment: WARNING 
HCO+O<=>CO+OH                                     +3.02000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15 !\Comment: WARNING 
HCO+H<=>CO+H2                                     +9.13000000E+012 +4.10000000E-001 -2.15571500E+002 !\Author: UB !\Ref: L.B.HARDING, A.F.WAGNER, PROC. COMBUST. INST. 21(1986) 721-728 !\Comment: WARNING 
HCO+OH<=>CO+H2O                                   +3.01100000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15 !\Comment: WARNING 
HCO+CH3<=>CO+CH4                                  +2.65000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: MULENKO, S.A. REV. ROUM. PHYS. 32, 173(1987) !\Comment: WARNING 
HCO+HCO<=>CO+CH2O                                 +2.70000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: G.FRIEDRICHS, J.T.HERBON, D.F.DAVIDSON, R.K.HANSON, PHYS. CHEM. CHEM. PHYS. 4(2002) 5778-5788 \COMMENT !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>PRODUCTS
!___________________________________________________________________________________________________________ 
HCO+O<=>CO2+H                                     +3.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15 !\Comment: WARNING 
HCO+HO2=>CO2+H+OH                                 +3.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15 !\Comment: WARNING 
HCO+HCO=>H2+CO+CO                                 +3.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONH
!___________________________________________________________________________________________________________ 
CH2OH(+M)<=>CH2O+H(+M)                            +7.37000000E+010 +8.11000000E-001 +3.95850000E+004 !\Author: SP !\Ref: E.E.DAME, D.M.GOLDEN, J. PHYS. CHEM. A, 117(2013) 7686-7696 !\Comment: WARNING 
LOW /                                             +3.50000000E+021 -1.99000000E+000 +2.40000000E+004 /
TROE /                           +8.44000000E-001 +9.00000000E+002 +1.00000000E+000 +3.31500000E+003 /
HE / +0.6700 / AR / +0.8500 / O2 / +1.0000 / CO / +1.5000 / CO2 / +2.0000 / H2 / +2.0000 / CH4 / +2.0000 / CH2O / +2.5000 / CH3OH / +3.0000 / C2H6 / +3.0000 / H2O / +6.0000 / 
CH3O(+M)<=>CH2O+H(+M)                             +1.13000000E+010 +1.21000000E+000 +2.40849000E+004 !\Author: UB !\Ref: E.E.DAME, D.M.GOLDEN, J. PHYS. CHEM. A, 117(2013) 7686-7696 !\Comment: WARNING 
LOW /                                             +6.02200000E+016 -5.47000000E-001 +1.80239000E+004 /
TROE /                           +3.41000000E-001 +2.80000000E+001 +1.00000000E+003 +2.33900000E+003 /
HE / +0.6700 / AR / +0.8500 / O2 / +1.0000 / CO / +1.5000 / CO2 / +2.0000 / H2 / +2.0000 / CH4 / +2.0000 / CH3OH / +3.0000 / C2H6 / +3.0000 / H2O / +6.0000 / 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONOH
!___________________________________________________________________________________________________________ 
CH2O+OH<=>HOCH2O                                  +6.32000000E+006 +1.63000000E+000 +4.28400000E+003 !\Author: KPS !\Ref: DAMES, CNF, 2016 !\Comment: ORIGINALLY FROM XU /ZHU2006 
HOCH2O<=>HOCHO+H                                  +1.03200000E+017 -1.48000000E+000 +1.24800000E+004 !\Author: KPS !\Ref: DAMES, CNF, 2016 !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +2.04200000E+012 -1.61000000E+000 +7.28000000E+003 /
PLOG /                           +4.00000000E-003 +8.06500000E+013 -1.90000000E+000 +8.11000000E+003 /
PLOG /                           +1.80000000E-002 +3.55000000E+015 -2.20000000E+000 +8.99000000E+003 /
PLOG /                           +7.50000000E-002 +1.56000000E+017 -2.50000000E+000 +9.91000000E+003 /
PLOG /                           +3.16000000E-001 +5.38900000E+018 -2.77000000E+000 +1.08500000E+004 /
PLOG /                           +1.33400000E+000 +8.62400000E+019 -2.93000000E+000 +1.17300000E+004 /
PLOG /                           +5.62300000E+000 +2.40500000E+020 -2.87000000E+000 +1.24300000E+004 /
PLOG /                           +2.37140000E+001 +3.21400000E+019 -2.42000000E+000 +1.27400000E+004 /
PLOG /                           +1.00000000E+002 +1.03200000E+017 -1.48000000E+000 +1.24800000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONHO2
!___________________________________________________________________________________________________________ 
CH2O+HO2<=>OCH2O2H                                +1.50000000E+011 +0.00000000E+000 +1.19000000E+004 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
OCH2O2H<=>HOCH2O2                                 +3.00000000E+011 +0.00000000E+000 +8.60000000E+003 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
HOCH2O2+HO2<=>HOCH2O2H+O2                         +3.50000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
HOCH2O+OH<=>HOCH2O2H                              +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>RO2
!___________________________________________________________________________________________________________ 
HCO+O2<=>O2CHO                                    +1.20000000E+011 +0.00000000E+000 -1.10000000E+003 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
O2CHO+HO2=>O2+HO2CHO    2.0E11 0.0 0.0E0
!===========================================================================================================
!\SUBSPECIES: HOCHO
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
HOCHO(+M)<=>CO+H2O(+M)                            +7.50000000E+014 +0.00000000E+000 +6.87100000E+004 !\Author: SP !\Ref: J.-G. CHANG, ET AL. J. PHYS. CHEM. A, 111(2007) 6789-6797 !\Comment: WARNING 
LOW /                                             +4.10000000E+015 +0.00000000E+000 +5.29800000E+004 /
HOCHO(+M)<=>CO2+H2(+M)                            +4.50000000E+013 +0.00000000E+000 +6.82400000E+004 !\Author: SP !\Ref: J.-G. CHANG, ET AL. J. PHYS. CHEM. A, 111(2007) 6789-6797 !\Comment: WARNING 
LOW /                                             +1.70000000E+015 +0.00000000E+000 +5.11100000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
HOCO+HO2<=>HOCHO+O2                               +4.00000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: H.G. YU, ET AL. J. CHEM. PHYS. 129(2008) 214307 !\Comment: WARNING 
HOCHO+O2<=>OCHO+HO2                               +3.00000000E+013 +0.00000000E+000 +6.30000000E+004 !\Author: UB !\Ref: P. MARSHALL, P. GLARBORG, PROC. COMBUST. INST. 35(2015) 153-160 !\Comment: WARNING 
HOCHO+H<=>HOCO+H2                                 +2.30000000E+002 +3.27200000E+000 +4.85800000E+003 !\Author: UB !\Ref: P. MARSHALL, P. GLARBORG, PROC. COMBUST. INST. 35(2015) 153-160 !\Comment: WARNING 
HOCHO+H<=>OCHO+H2                                 +4.20000000E+005 +2.25500000E+000 +1.40910000E+004 !\Author: UB !\Ref: P. MARSHALL, P. GLARBORG, PROC. COMBUST. INST. 35(2015) 153-160 !\Comment: WARNING 
HOCHO+O<=>HOCO+OH                                 +5.10000000E+001 +3.42200000E+000 +4.21600000E+003 !\Author: UB !\Ref: P. MARSHALL, P. GLARBORG, PROC. COMBUST. INST. 35(2015) 153-160 !\Comment: WARNING 
HOCHO+O<=>OCHO+OH                                 +1.70000000E+005 +2.10300000E+000 +9.88000000E+003 !\Author: UB !\Ref: P. MARSHALL, P. GLARBORG, PROC. COMBUST. INST. 35(2015) 153-160 !\Comment: WARNING 
HOCHO+OH<=>HOCO+H2O                               +7.80000000E-006 +5.57000000E+000 -2.36500000E+003 !\Author: UB !\Ref: J.M. ANGLADA, J. AM. CHEM. SOC. 126(2004) 9809-9820 !\Comment: WARNING 
HOCHO+OH<=>OCHO+H2O                               +4.90000000E-005 +4.91000000E+000 -5.06700000E+003 !\Author: UB !\Ref: J.M. ANGLADA, J. AM. CHEM. SOC. 126(2004) 9809-9820 !\Comment: WARNING 
HOCHO+CH3=>CH4+CO+OH                              +3.90000000E-007 +5.80000000E+000 +2.20000000E+003 !\Author: WARNING !\Ref: MARINOV ESTIMATE !\Comment: WARNING 
HOCHO+HO2<=>HOCO+H2O2                             +4.70000000E-001 +3.97500000E+000 +1.67870000E+004 !\Author: UB !\Ref: P. MARSHALL, P. GLARBORG, PROC. COMBUST. INST. 35(2015) 153-160 !\Comment: WARNING 
HOCHO+HO2<=>OCHO+H2O2                             +3.90000000E+001 +3.08000000E+000 +2.52060000E+004 !\Author: UB !\Ref: P. MARSHALL, P. GLARBORG, PROC. COMBUST. INST. 35(2015) 153-160 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>RO2
!___________________________________________________________________________________________________________ 
OCHO+O2<=>CO2+HO2                                 +5.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: P. MARSHALL, P. GLARBORG, PROC. COMBUST. INST. 35(2015) 153-160 !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: HOCHO
!===========================================================================================================
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: CH2O
!----------------------------------------------------------------------------------------------------------------------------------
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\END_KINETICS_MODULE: C1
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\KINETICS_MODULE: C2
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C2H6
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 

C2H5+H(+M)<=>C2H6(+M)                             +5.21000000E+017 -9.90000000E-001 +1.58000000E+003 !\Author: WARNING !\Ref: WANG ET AL., JPC A 107 !\Comment: WARNING 
LOW /                                             +1.99000000E+041 -7.08000000E+000 +6.68500000E+003 /
TROE /                           +8.42000000E-001 +1.25000000E+002 +2.21900000E+003 +6.88200000E+003 /
HE / +0.7000 / AR / +0.7000 / CO / +1.5000 / CO2 / +2.0000 / H2 / +2.0000 / CH4 / +2.0000 / C2H6 / +3.0000 / H2O / +6.0000 / 

CH3+CH3(+M)<=>C2H6(+M)                                       +2.3500000E+014 -3.3700000E-001 -4.9410000E+000   !\AUTHOR: SP !\REF: M.A.BLITZ, N.J.B.GREEN, R.J.SHANNON, M.J.PILLING, P.W.SEAKINS, C.M.WESTERN, S.H.ROBERTSON, J.PHYS.CHEM.A, 119 (2015) 7668-7682 !\COMMENT: TROE PARAMETER AND K0 BASED ON WANG ET AL.
LOW /                                             +8.05400000E+031 -3.75000000E+000 +9.81600000E+002 /
TROE /                           +0.00000000E+000 +5.70000000E+002 +1.00000000E+030 +1.00000000E+030 /
H2O / 5.000 / CO / 2.000 / CO2 / 3.000 /  !\3RD BODY COLLIDER EFFICIENCIES

CH3+CH3<=>H+C2H5                                  +1.03200000E+002 +3.23000000E+000 +1.12361000E+004 !\Author: WARNING !\Ref: STEWART ET AL C&F 1989 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.74000000E+012 +1.05000000E-001 +1.06643000E+004 /
PLOG /                           +1.00000000E-001 +2.57000000E+013 -9.60000000E-002 +1.14061000E+004 /
PLOG /                           +1.00000000E+000 +3.10000000E+014 -3.62000000E-001 +1.33725000E+004 /
PLOG /                           +1.00000000E+001 +2.15000000E+010 +8.85000000E-001 +1.35325000E+004 /
PLOG /                           +1.00000000E+002 +1.03200000E+002 +3.23000000E+000 +1.12361000E+004 /

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C2H6+O2<=>C2H5+HO2                                +6.03000000E+013 +0.00000000E+000 +5.18700000E+004 !\Author: WARNING !\Ref: BAULCH ET AL., J. PHYS. CHEM. REF DATA, 21 !\Comment: WARNING 
C2H6+O<=>C2H5+OH                                  +3.55000000E+006 +2.40000000E+000 +5.83000000E+003 !\Author: WARNING !\Ref: MIYOSHI,A. ET AL., CHEM. PHYS. LETT. 204, 241-247(1993) !\Comment: WARNING 
C2H6+H<=>C2H5+H2                                  +7.35000000E+003 +3.10000000E+000 +5.34000000E+003 !\Author: UB !\Ref: R.SIVARAMAKRISHNAN, J.V.MICHAEL, B.RUSCIC, INT. J. CHEM. KINET. 44(2012) 194-205 !\Comment: WARNING 
DUP
C2H6+H<=>C2H5+H2                                  +3.26000000E+014 +0.00000000E+000 +1.37000000E+004 !\Author: UB !\Ref: R.SIVARAMAKRISHNAN, J.V.MICHAEL, B.RUSCIC, INT. J. CHEM. KINET. 44(2012) 194-205 !\Comment: WARNING 
DUP
C2H6+OH<=>C2H5+H2O                                +1.61390000E+006 +2.22400000E+000 +7.41230000E+002 !\Author: UB !\Ref: L.N. KRASNOPEROV, J.V.MICAHEL, J.PHYS.CHEM.A, 108(2004) 5643-5648 !\Comment: WARNING 

!C2H6+HO2<=>C2H5+H2O2                              +2.77000000E+001 +3.59000000E+000 +1.56000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H6+HO2<=>C2H5+H2O2                              2.493E+001 +3.59000000E+000 +1.56000000E+004!\Author: WARNING !\Ref: WARNING !\Comment: decrease by 10% from nuigmech1.1 
C2H6+O2CHO<=>C2H5+HO2CHO                          +4.23000000E+003 +2.96000000E+000 +1.05000000E+004 !\Author: SP !\Ref: H-H CARSTENSEN, A.M. DEAN, O. DEUTSCHMANN, PROC. COMBUST. INST. 31(2007) 149-157 ! !\Comment: WARNING 
HO2CHO(+M)<=>OCHO+OH(+M)                          +4.04972000E+019 -1.15300000E+000 +4.42504900E+004 !\Author: ANALOGY TO CH3CO2H<=>CH3O+OH(BASED ON BDE) !\Ref: WARNING !\Comment: WARNING 
LOW /                                             +3.80285000E+042 -7.50200000E+000 +4.67560970E+004 /
TROE /                           +8.37500000E-001 +3.65620000E+004 +4.98800000E+002 +9.99000000E+003 /
C2H6+CH<=>C2H5+CH2                                +1.10000000E+014 +0.00000000E+000 -2.60000000E+002 !\Author: WARNING !\Ref: TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15 !\Comment: WARNING 
C2H6+CH2(S)<=>C2H5+CH3                            +1.20000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: MECHANISM AND MODELING OF NITROGEN CHEMISTRY IN COMBUSTION, WSS / CI, AUTUMN 1988 !\Comment: WARNING 
C2H6+CH3<=>C2H5+CH4                               +3.45000000E+001 +3.44000000E+000 +1.03910000E+004 !\Author: UB !\Ref: S.L.PEUKERT, N.J.LABBE, R.SIVARAMAKRISHNAN, J.V.MICHAEL, J.PHYS.CHEM.A, 117(2013) 10228-10238 !\Comment: WARNING 
C2H6+CH3O<=>C2H5+CH3OH                            +2.41000000E+011 +0.00000000E+000 +7.09000000E+003 !\Author: WARNING !\Ref: TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15 !\Comment: WARNING 
C2H6+CH3O2=C2H5+CH3O2H                            +4.04000000E+001 +3.55000000E+000 +1.69000000E+004 !\Author: WARNING !\Ref: CARSTENSEN AND DEAN PROC COMBUST INST 30(2007) 995?003 !\Comment: WARNING 
C2H6+C2H5O2=C2H5+C2H5O2H                          +5.88000000E+001 +3.49000000E+000 +1.71000000E+004 !\Author: WARNING !\Ref: CARSTENSEN AND DEAN PROC COMBUST INST 30(2007) 995?003 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 

C2H4+H(+M)<=>C2H5(+M)                             +9.56900000E+008 +1.46300000E+000 +1.35500000E+003 !\Author: WARNING !\Ref: MILLER KLIPPENSTEIN PCCP 2004, 6, 1192-1202 !\Comment: WARNING 
LOW /                                             +1.41900000E+039 -6.64200000E+000 +5.76900000E+003 /
TROE /                           -5.69000000E-001 +2.99000000E+002 -9.14700000E+003 +1.52400000E+002 /
AR / +0.7000 / CO / +1.5000 / H2 / +2.0000 / CH4 / +2.0000 / CO2 / +2.0000 / C2H6 / +3.0000 / H2O / +6.0000 / HE / 0.5 /

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>RH+RH
!___________________________________________________________________________________________________________ 
C2H5+H<=>C2H4+H2                                  +1.81000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: Y.ZHANG, Q.S.LI, S.W.ZHANG, J.MOL.STRUCT.(THEOCHEM) 682(2004) 163-170 !\Comment: WARNING 
C2H4+C2H4<=>C2H5+C2H3                             +4.82000000E+014 +0.00000000E+000 +7.15300000E+004 !\Author: WARNING !\Ref: TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15 !\Comment: WARNING 
C2H5+CH3<=>CH4+C2H4                               +1.18000000E+004 +2.45000000E+000 -2.92100000E+003 !\Author: WARNING !\Ref: ZHU, R.S. ET AL.,J. CHEM. PHYS. 120 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONO
!___________________________________________________________________________________________________________ 
C2H5+O<=>C2H5O                                    +3.17000000E+013 +3.00000000E-002 -3.94000000E+002 !\Author: UB !\Ref: L.B.HARDING, S.J.KLIPPENSTEIN, Y.GEORGIEVSHII, PROC.COMBUST.INST, 30(2005) 985-993 !\Comment: WARNING 
C2H5+O<=>C2H4+OH                                  +3.17000000E+012 +3.00000000E-002 -3.94000000E+002 !\Author: UB !\Ref: L.B.HARDING, S.J.KLIPPENSTEIN, Y.GEORGIEVSHII, PROC.COMBUST.INST, 30(2005) 985-993 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONOH
!___________________________________________________________________________________________________________ 
C2H5+OH<=>C2H4+H2O                                +4.69610000E+018 -1.58050000E+000 +7.99920000E+003 !\Author: UB !\Ref: N.J.LABBE, R.SIVARAMAKRISHNAN, S.J.KLIPPENSTEIN, PROC.COMBUST.INST. 35(2015) 447-455 !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.29260000E+019 -1.96000000E+000 +2.72700000E+002 /
PLOG /                           +1.00000000E-002 +1.21840000E+019 -1.95330000E+000 +2.38800000E+002 /
PLOG /                           +1.00000000E-001 +4.10520000E+019 -2.10070000E+000 +6.25400000E+002 /
PLOG /                           +1.00000000E+000 +7.94060000E+022 -2.98920000E+000 +3.86260000E+003 /
PLOG /                           +1.00000000E+001 +2.79260000E+024 -3.32870000E+000 +7.74880000E+003 /
PLOG /                           +1.00000000E+002 +4.69610000E+018 -1.58050000E+000 +7.99920000E+003 /
C2H5+OH<=>CH3+CH2OH                               +6.50440000E+022 -2.44270000E+000 +1.26466000E+004 !\Author: UB !\Ref: N.J.LABBE, R.SIVARAMAKRISHNAN, S.J.KLIPPENSTEIN, PROC.COMBUST.INST. 35(2015) 447-455 !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +9.20170000E+017 -1.29940000E+000 +2.50460000E+003 /
PLOG /                           +1.00000000E-002 +1.09810000E+018 -1.32060000E+000 +2.56940000E+003 /
PLOG /                           +1.00000000E-001 +5.73670000E+018 -1.51820000E+000 +3.18480000E+003 /
PLOG /                           +1.00000000E+000 +6.52780000E+021 -2.35150000E+000 +6.02270000E+003 /
PLOG /                           +1.00000000E+001 +1.87990000E+025 -3.24950000E+000 +1.05762000E+004 /
PLOG /                           +1.00000000E+002 +6.50440000E+022 -2.44270000E+000 +1.26466000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONHO2
!___________________________________________________________________________________________________________ 
C2H5+HO2<=>C2H5O+OH                               +1.00000000E+012 +2.69000000E-001 -6.88000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H5+HO2<=>C2H4+H2O2                              +6.20000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: W.LUDWIG, B.BRANDT, G.FRIEDRICHS, F.TEMPS, J.PHYS.CHEM.A, 110(2006) 3330-3337, 80 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONCH3O2
!___________________________________________________________________________________________________________ 
C2H5+CH3O2<=>C2H5O+CH3O                           +8.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: CURRAN. BASED ON CH3+HO2<=>PRODUCTS !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C2H5+O2<=>C2H5O2                                  +1.59000000E+030 -5.56000000E+000 +5.90900000E+003 !\Author: UB !\Ref: S.J. KLIPPENSTEIN, PROC. COMBUST. INST. 36(2017) 77-111 !\Comment: WARNING 
PLOG /                           +1.00000000E-004 +1.28000000E+042 -1.11200000E+001 +5.13700000E+003 /
PLOG /                           +3.00000000E-004 +1.95000000E+043 -1.13000000E+001 +5.48500000E+003 /
PLOG /                           +1.00000000E-003 +1.22000000E+044 -1.13600000E+001 +5.85000000E+003 /
PLOG /                           +3.00000000E-003 +3.23000000E+044 -1.13200000E+001 +6.19800000E+003 /
PLOG /                           +1.00000000E-002 +1.31000000E+045 -1.13300000E+001 +6.76100000E+003 /
PLOG /                           +3.00000000E-002 +1.20000000E+045 -1.11500000E+001 +7.16300000E+003 /
PLOG /                           +1.00000000E-001 +4.34000000E+044 -1.08300000E+001 +7.56400000E+003 /
PLOG /                           +3.00000000E-001 +4.87000000E+043 -1.03700000E+001 +7.81000000E+003 /
PLOG /                           +1.00000000E+000 +3.98000000E+042 -9.86000000E+000 +8.12400000E+003 /
PLOG /                           +3.00000000E+000 +1.24000000E+040 -8.95000000E+000 +7.85700000E+003 /
PLOG /                           +1.00000000E+001 +2.16000000E+037 -7.95000000E+000 +7.52500000E+003 /
PLOG /                           +3.00000000E+001 +1.59000000E+034 -6.88000000E+000 +6.91300000E+003 /
PLOG /                           +1.00000000E+002 +1.59000000E+030 -5.56000000E+000 +5.90900000E+003 /
C2H5+O2<=>C2H4O2H                                 +1.90000000E+015 -1.72000000E+000 +8.03400000E+003 !\Author: UB !\Ref: S.J. KLIPPENSTEIN, PROC. COMBUST. INST. 36(2017) 77-111 !\Comment: WARNING 
PLOG /                           +1.00000000E-004 +3.23000000E+021 -5.53000000E+000 -8.35000000E+001 /
PLOG /                           +3.00000000E-004 +4.60000000E+023 -6.12000000E+000 +5.86300000E+002 /
PLOG /                           +1.00000000E-003 +2.86000000E+025 -6.60000000E+000 +1.27900000E+003 /
PLOG /                           +3.00000000E-003 +2.90000000E+024 -6.19000000E+000 +1.22900000E+003 /
PLOG /                           +1.00000000E-002 +5.88000000E+025 -6.49000000E+000 +2.02600000E+003 /
PLOG /                           +3.00000000E-002 +2.90000000E+025 -6.26000000E+000 +2.44900000E+003 /
PLOG /                           +1.00000000E-001 +4.63000000E+026 -6.47000000E+000 +3.59800000E+003 /
PLOG /                           +3.00000000E-001 +4.74000000E+026 -6.29000000E+000 +4.51800000E+003 /
PLOG /                           +1.00000000E+000 +3.59000000E+026 -6.03000000E+000 +5.71500000E+003 /
PLOG /                           +3.00000000E+000 +6.32000000E+025 -5.58000000E+000 +6.79300000E+003 /
PLOG /                           +1.00000000E+001 +6.63000000E+023 -4.74000000E+000 +7.75600000E+003 /
PLOG /                           +3.00000000E+001 +7.71000000E+020 -3.63000000E+000 +8.31900000E+003 /
PLOG /                           +1.00000000E+002 +1.90000000E+015 -1.72000000E+000 +8.03400000E+003 /
C2H5+O2<=>C2H4+HO2                                +1.89000000E+011 +1.40000000E-001 +6.37300000E+003 !\Author: UB !\Ref: S.J. KLIPPENSTEIN, PROC. COMBUST. INST. 36(2017) 77-111 !\Comment: WARNING 
PLOG /                           +1.00000000E-004 +9.10000000E+000 +2.87000000E+000 -5.09900000E+003 /
PLOG /                           +3.00000000E-004 +1.18000000E+001 +2.84000000E+000 -5.02900000E+003 /
PLOG /                           +1.00000000E-003 +2.82000000E+001 +2.73000000E+000 -4.78000000E+003 /
PLOG /                           +3.00000000E-003 +1.10000000E+002 +2.56000000E+000 -4.38000000E+003 /
PLOG /                           +1.00000000E-002 +9.57000000E+002 +2.30000000E+000 -3.73500000E+003 /
PLOG /                           +3.00000000E-002 +1.32000000E+004 +1.98000000E+000 -2.93300000E+003 /
PLOG /                           +1.00000000E-001 +4.90000000E+005 +1.54000000E+000 -1.79000000E+003 /
PLOG /                           +3.00000000E-001 +2.41000000E+007 +1.07000000E+000 -4.97700000E+002 /
PLOG /                           +1.00000000E+000 +2.47000000E+009 +5.10000000E-001 +1.15700000E+003 /
PLOG /                           +3.00000000E+000 +1.36000000E+011 +4.00000000E-002 +2.78900000E+003 /
PLOG /                           +1.00000000E+001 +3.13000000E+012 -3.10000000E-001 +4.50100000E+003 /
PLOG /                           +3.00000000E+001 +5.29000000E+012 -3.30000000E-001 +5.72800000E+003 /
PLOG /                           +1.00000000E+002 +1.89000000E+011 +1.40000000E-001 +6.37300000E+003 /
C2H5+O2<=>C2H4O1-2+OH                             +9.68000000E+014 -1.22000000E+000 +1.25000000E+004 !\Author: UB !\Ref: S.J. KLIPPENSTEIN, PROC. COMBUST. INST. 36(2017) 77-111 !\Comment: WARNING 
PLOG /                           +1.00000000E-004 +1.37000000E-005 +4.20000000E+000 -5.61800000E+003 /
PLOG /                           +3.00000000E-004 +1.85000000E-005 +4.16000000E+000 -5.53700000E+003 /
PLOG /                           +1.00000000E-003 +4.96000000E-005 +4.04000000E+000 -5.26000000E+003 /
PLOG /                           +3.00000000E-003 +2.27000000E-004 +3.85000000E+000 -4.82500000E+003 /
PLOG /                           +1.00000000E-002 +2.59000000E-003 +3.55000000E+000 -4.12100000E+003 /
PLOG /                           +3.00000000E-002 +5.18000000E-002 +3.18000000E+000 -3.23800000E+003 /
PLOG /                           +1.00000000E-001 +4.06000000E+000 +2.65000000E+000 -1.92800000E+003 /
PLOG /                           +3.00000000E-001 +6.08000000E+002 +2.04000000E+000 -3.70900000E+002 /
PLOG /                           +1.00000000E+000 +4.86000000E+005 +1.22000000E+000 +1.80200000E+003 /
PLOG /                           +3.00000000E+000 +4.99000000E+008 +3.90000000E-001 +4.21800000E+003 /
PLOG /                           +1.00000000E+001 +8.78000000E+011 -4.90000000E-001 +7.19000000E+003 /
PLOG /                           +3.00000000E+001 +1.69000000E+014 -1.09000000E+000 +9.93600000E+003 /
PLOG /                           +1.00000000E+002 +9.68000000E+014 -1.22000000E+000 +1.25000000E+004 /
C2H5O2<=>C2H4O2H                                  +1.87000000E+008 +5.70000000E-001 +2.85900000E+004 !\Author: UB !\Ref: S.J. KLIPPENSTEIN, PROC. COMBUST. INST. 36(2017) 77-111 !\Comment: WARNING 
PLOG /                           +1.00000000E-004 +3.15000000E+031 -8.25000000E+000 +2.93600000E+004 /
PLOG /                           +3.00000000E-004 +3.50000000E+030 -7.88000000E+000 +2.93300000E+004 /
PLOG /                           +1.00000000E-003 +1.52000000E+029 -7.37000000E+000 +2.92100000E+004 /
PLOG /                           +3.00000000E-003 +3.47000000E+027 -6.77000000E+000 +2.90000000E+004 /
PLOG /                           +1.00000000E-002 +3.57000000E+025 -6.04000000E+000 +2.87800000E+004 /
PLOG /                           +3.00000000E-002 +1.60000000E+024 -5.51000000E+000 +2.88000000E+004 /
PLOG /                           +1.00000000E-001 +1.44000000E+021 -4.40000000E+000 +2.84100000E+004 /
PLOG /                           +3.00000000E-001 +2.85000000E+019 -3.73000000E+000 +2.84900000E+004 /
PLOG /                           +1.00000000E+000 +1.27000000E+017 -2.81000000E+000 +2.85000000E+004 /
PLOG /                           +3.00000000E+000 +5.27000000E+014 -1.90000000E+000 +2.84700000E+004 /
PLOG /                           +1.00000000E+001 +4.67000000E+013 -1.40000000E+000 +2.89700000E+004 /
PLOG /                           +3.00000000E+001 +4.21000000E+012 -9.20000000E-001 +2.93800000E+004 /
PLOG /                           +1.00000000E+002 +1.87000000E+008 +5.70000000E-001 +2.85900000E+004 /
C2H5O2<=>C2H4+HO2                                 +2.37000000E+026 -4.37000000E+000 +3.48400000E+004 !\Author: SERJIO !\Ref: S.J. KLIPPENSTEIN, PROC. COMBUST. INST. 36(2017) 77-111 !\Comment: WARNING 
PLOG /                           +1.00000000E-004 +1.91000000E+046 -1.18500000E+001 +3.64400000E+004 /
PLOG /                           +3.00000000E-004 +4.21000000E+046 -1.18800000E+001 +3.68200000E+004 /
PLOG /                           +1.00000000E-003 +3.63000000E+046 -1.17700000E+001 +3.71000000E+004 /
PLOG /                           +3.00000000E-003 +1.70000000E+046 -1.15800000E+001 +3.73300000E+004 /
PLOG /                           +1.00000000E-002 +4.36000000E+045 -1.12800000E+001 +3.75700000E+004 /
PLOG /                           +3.00000000E-002 +8.12000000E+044 -1.09400000E+001 +3.77800000E+004 /
PLOG /                           +1.00000000E-001 +4.61000000E+043 -1.04300000E+001 +3.79100000E+004 /
PLOG /                           +3.00000000E-001 +8.69000000E+041 -9.77000000E+000 +3.78600000E+004 /
PLOG /                           +1.00000000E+000 +8.65000000E+039 -9.01000000E+000 +3.77800000E+004 /
PLOG /                           +3.00000000E+000 +7.24000000E+036 -7.95000000E+000 +3.72400000E+004 /
PLOG /                           +1.00000000E+001 +4.30000000E+033 -6.84000000E+000 +3.66600000E+004 /
PLOG /                           +3.00000000E+001 +1.92000000E+030 -5.71000000E+000 +3.59100000E+004 /
PLOG /                           +1.00000000E+002 +2.37000000E+026 -4.37000000E+000 +3.48400000E+004 /

C2H5O2<=>C2H4O1-2+OH                              +2.45000000E+031 -6.10000000E+000 +4.45600000E+004 !\Author: UB !\Ref: S.J. KLIPPENSTEIN, PROC. COMBUST. INST. 36(2017) 77-111 !\Comment: WARNING 
PLOG /                           +1.00000000E-004 +2.00000000E+049 -1.33200000E+001 +3.88200000E+004 /
PLOG /                           +3.00000000E-004 +1.66000000E+050 -1.35200000E+001 +3.95100000E+004 /
PLOG /                           +1.00000000E-003 +6.61000000E+050 -1.36200000E+001 +4.01800000E+004 /
PLOG /                           +3.00000000E-003 +3.89000000E+048 -1.28500000E+001 +3.98300000E+004 /
PLOG /                           +1.00000000E-002 +7.63000000E+048 -1.28200000E+001 +4.06200000E+004 /
PLOG /                           +3.00000000E-002 +9.69000000E+046 -1.21100000E+001 +4.06400000E+004 /
PLOG /                           +1.00000000E-001 +9.94000000E+046 -1.19400000E+001 +4.16700000E+004 /
PLOG /                           +3.00000000E-001 +1.25000000E+045 -1.12000000E+001 +4.20200000E+004 /
PLOG /                           +1.00000000E+000 +1.48000000E+044 -1.07100000E+001 +4.30400000E+004 /
PLOG /                           +3.00000000E+000 +1.03000000E+042 -9.86000000E+000 +4.36400000E+004 /
PLOG /                           +1.00000000E+001 +2.46000000E+039 -8.87000000E+000 +4.42900000E+004 /
PLOG /                           +3.00000000E+001 +1.85000000E+036 -7.75000000E+000 +4.46600000E+004 /
PLOG /                           +1.00000000E+002 +2.45000000E+031 -6.10000000E+000 +4.45600000E+004 /
C2H4O2H<=>C2H4O1-2+OH                             +3.18000000E+021 -2.97000000E+000 +1.64000000E+004 !\Author: UB !\Ref: S.J. KLIPPENSTEIN, PROC. COMBUST. INST. 36(2017) 77-111 !\Comment: WARNING 
PLOG /                           +1.00000000E-004 +2.20000000E+024 -5.76000000E+000 +1.24100000E+004 /
PLOG /                           +3.00000000E-004 +7.31000000E+026 -6.39000000E+000 +1.33400000E+004 /
PLOG /                           +1.00000000E-003 +1.26000000E+029 -6.91000000E+000 +1.42400000E+004 /
PLOG /                           +3.00000000E-003 +1.68000000E+028 -6.45000000E+000 +1.42300000E+004 /
PLOG /                           +1.00000000E-002 +2.19000000E+030 -6.94000000E+000 +1.52200000E+004 /
PLOG /                           +3.00000000E-002 +1.40000000E+030 -6.70000000E+000 +1.55400000E+004 /
PLOG /                           +1.00000000E-001 +9.95000000E+031 -7.10000000E+000 +1.66100000E+004 /
PLOG /                           +3.00000000E-001 +6.33000000E+031 -6.87000000E+000 +1.70800000E+004 /
PLOG /                           +1.00000000E+000 +2.01000000E+031 -6.53000000E+000 +1.75500000E+004 /
PLOG /                           +3.00000000E+000 +1.19000000E+030 -6.00000000E+000 +1.77500000E+004 /
PLOG /                           +1.00000000E+001 +4.00000000E+027 -5.08000000E+000 +1.75500000E+004 /
PLOG /                           +3.00000000E+001 +7.84000000E+024 -4.12000000E+000 +1.71300000E+004 /
PLOG /                           +1.00000000E+002 +3.18000000E+021 -2.97000000E+000 +1.64000000E+004 /
C2H4+HO2<=>C2H4O2H                                +4.40000000E+018 -2.17000000E+000 +1.88400000E+004 !\Author: pw !\Ref: S.J. KLIPPENSTEIN, PROC. COMBUST. INST. 36(2017) 77-111 !\Comment: Ea+2000 
	PLOG/1.0E-4	3.14E+20	-5.24E+00	1.30E+04	/
	PLOG/3.0E-4	2.70E+20	-5.14E+00	1.34E+04	/
	PLOG/1.0E-3	2.57E+21	-5.24E+00	1.42E+04	/
	PLOG/3.0E-3	1.17E+23	-5.53E+00	1.50E+04	/
	PLOG/1.0E-2	6.65E+25	-6.13E+00	1.61E+04	/
	PLOG/3.0E-2	2.22E+27	-6.37E+00	1.70E+04	/
	PLOG/1.0E-1	8.69E+28	-6.60E+00	1.80E+04	/
	PLOG/3.0E-1	3.44E+29	-6.55E+00	1.88E+04	/
	PLOG/1.0E0	2.67E+29	-6.27E+00	1.95E+04	/
	PLOG/3.0E0	2.15E+28	-5.71E+00	1.99E+04	/
	PLOG/1.0E1	1.49E+26	-4.82E+00	2.01E+04	/
	PLOG/3.0E1	2.14E+23	-3.77E+00	1.98E+04	/
	PLOG/1.0E2	4.40E+18	-2.17E+00	1.88E+04	/
C2H4+HO2<=>C2H4O1-2+OH                            +2.22000000E+012 +1.60000000E-001 +1.99800000E+004 !\Author: UB !\Ref: S.J. KLIPPENSTEIN, PROC. COMBUST. INST. 36(2017) 77-111 !\Comment: WARNING 
PLOG /                           +1.00000000E-004 +1.03000000E+004 +2.42000000E+000 +1.20500000E+004 /
PLOG /                           +3.00000000E-004 +1.07000000E+004 +2.41000000E+000 +1.20600000E+004 /
PLOG /                           +1.00000000E-003 +1.09000000E+004 +2.41000000E+000 +1.20700000E+004 /
PLOG /                           +3.00000000E-003 +1.15000000E+004 +2.41000000E+000 +1.20800000E+004 /
PLOG /                           +1.00000000E-002 +1.34000000E+004 +2.39000000E+000 +1.21200000E+004 /
PLOG /                           +3.00000000E-002 +2.01000000E+004 +2.34000000E+000 +1.22300000E+004 /
PLOG /                           +1.00000000E-001 +5.97000000E+004 +2.20000000E+000 +1.25300000E+004 /
PLOG /                           +3.00000000E-001 +4.15000000E+005 +1.96000000E+000 +1.30900000E+004 /
PLOG /                           +1.00000000E+000 +1.32000000E+007 +1.54000000E+000 +1.41200000E+004 /
PLOG /                           +3.00000000E+000 +9.33000000E+008 +1.02000000E+000 +1.54700000E+004 /
PLOG /                           +1.00000000E+001 +1.08000000E+011 +4.50000000E-001 +1.72200000E+004 /
PLOG /                           +3.00000000E+001 +2.12000000E+012 +1.10000000E-001 +1.87500000E+004 /
PLOG /                           +1.00000000E+002 +2.22000000E+012 +1.60000000E-001 +1.99800000E+004 /

O2+C2H4O2H=C2-OOQOOH	7.95E+29	-5.56	5.91E+03	!\Author: PW !\Ref: analogy by using rate of C2 part R+O2=RO2 A/2 !\Comment: WARNING 
	PLOG/1.0E-4	6.40E+41	-1.11E+01	5.137E3/
	PLOG/3.0E-4	9.75E+42	-1.13E+01	5.485E3/
	PLOG/1.0E-3	6.10E+43	-1.14E+01	5.85E3/
	PLOG/3.0E-3	1.62E+44	-1.13E+01	6.198E3/
	PLOG/1.0E-2	6.55E+44	-1.13E+01	6.761E3/
	PLOG/3.0E-2	6.00E+44	-1.12E+01	7.163E3/
	PLOG/1.0E-1	2.17E+44	-1.08E+01	7.564E3/
	PLOG/3.0E-1	2.44E+43	-1.04E+01	7.81E3/
	PLOG/1.0E0	1.99E+42	-9.86E+00	8.124E3/
	PLOG/3.0E0	6.20E+39	-8.95E+00	7.857E3/
	PLOG/1.0E1	1.08E+37	-7.95E+00	7.525E3/
	PLOG/3.0E1	7.95E+33	-6.88E+00	6.913E3/
	PLOG/1.0E2	7.95E+29	-5.56E+00	5.909E3/
C2-OOQOOH=>HO2CH2CHO+OH    2.47E+12    -2.40E-01    2.80E+04!1.0E12	 0.0	 2.85E4
!C2-OQOOH=>OH+CH2O+HCO    2.0E+15	0.00	42500
!C2H4O2H=>CH2OH+CH2O    2.0E13 0.0 2.75E4

!===========================================================================================================
!\SUBSPECIES: C2H5O2H
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
!C2H5O2+HO2<=>C2H5O2H+O2                           +1.05000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: TSANG, JPC REF. DATA, 16 !\Comment: WARNING 
!C2H5O2+CH2O<=>C2H5O2H+HCO                         +1.99000000E+012 +0.00000000E+000 +1.16600000E+004 !\Author: WARNING !\Ref: TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15 !\Comment: WARNING 
!C2H5O2+CH4<=>C2H5O2H+CH3                          +1.24000000E+001 +3.69000000E+000 +2.13000000E+004 !\Author: SP !\Ref: H-H CARSTENSEN, A.M. DEAN, O. DEUTSCHMANN, PROC. COMBUST. INST. 31(2007) 149-157 !\Comment: WARNING 
!C2H5O2+CH3OH<=>C2H5O2H+CH2OH                      +1.81000000E+012 +0.00000000E+000 +1.37100000E+004 !\Author: WARNING !\Ref: TSANG, JPC REF. DATA, 16 !\Comment: WARNING 
!C2H5O2+H2<=>C2H5O2H+H                             +1.50000000E+014 +0.00000000E+000 +2.60300000E+004 !\Author: WARNING !\Ref: TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 !\Comment: WARNING 
!C2H5O2+H2O2<=>C2H5O2H+HO2                           +2.41000000E+012 +0.00000000E+000 +9.93600000E+003 !\Author: WARNING !\Ref: !REF !\Comment: ADDED 29 / 07 / 2015 
!C2H5O2H+HO2<=>C2H5O2+H2O2            7.1E-3 4.517 11.58E3 !CH2O+HO2 EA+5 KCAL
NC3H7O2H+HO2<=>NC3H7O2+H2O2            7.1E-3 4.517 11.58E3 !CH2O+HO2 EA+5 KCAL
IC3H7O2H+HO2<=>IC3H7O2+H2O2            7.1E-3 4.517 11.58E3 !CH2O+HO2 EA+5 KCAL


C2H5O2+H=C2H5O+OH                9.6E13   0.000       0
	! est CH3OO+H
! ------ ------ ------ !
C2H5O2+O=C2H5O+O2                2.850E+10  1.0 -724
	! est CH3OO+O
! ------ ------ ------ !
C2H5O2+OH=C2H5OH+O2					 5.11E+15	-0.8100		0.0
	! est CH3OO+OH
! ------ ------ ------ !
C2H5O2+HO2=C2H5O2H+O2			3.62E+11	0.0000	-1267.0

! ------ ------ ------ !
C2H5O2+CO=C2H5O+CO2              1.6E05   2.180   17940
	! est CH3OO+CO
! ------ ------ ------ !
C2H5O2+CH3=C2H5O+CH3O            5.1E12   0.000   -1411
	! est CH3OO+CH3
! ------ ------ ------ !
C2H5O2+CH4=C2H5O2H+CH3			1.24E1		3.69		2.13E4
	! H-H Carstensen, A.M. Dean, O. Deutschmann, Proc. Combust. Inst. 31 (2007) 149-157
! ------ ------ ------ !
C2H5O2+CH3OH=C2H5O2H+CH2OH       4.0E13   0.000   19400
	! est CH3OO+CH3OH
! ------ ------ ------ !
	! CH3CH2OO+CH2O=CH3CH2OOH+HCO          4.1E04   2.500   10206
	! est CH3OO+CH2O
	! Considering prompt dissociation of HCO (following Labbe et al., J. Phys. Chem. Lett. 2016)
	! CH3CH2OO+CH2O=CH3CH2OOH+HCO          4.1E04   2.500   10206
	!  DUPLICATE
	! CH3CH2OO+CH2O=CH3CH2OOH+HCO          -2.454E+14   0.027   30133.3
	!  DUPLICATE
	! Re-fitting to positive 'A's:
C2H5O2+CH2O=C2H5O2H+HCO			 	1.981E+09   1.111   12499.5
C2H5O2+CH2O=C2H5O2H+H+CO         	 2.454E+14   0.027   30133.3
! ------ ------ ------ !
C2H5O2+C2H5=C2H5O+C2H5O        5.1E12   0.000   -1411
	! est CH3OO+CH3
! ------ ------ ------ !
!C2H5O2+C2H6=C2H5O2H+C2H5		5.88E1		3.49		1.71E4
	! H-H Carstensen, A.M. Dean, O. Deutschmann, Proc. Combust. Inst. 31 (2007) 149-157
! ------ ------ ------ !
C2H5O2+C2H5O2=C2H5O+C2H5O+O2	1.4E16 -1.61 1.86E3!2.18E+10	0.0		45.7
	! (221-296 K) Noell et al., J. Phys. Chem. A 2010, 114, 6983-6995
! ------ ------ ------ !
C2H5O2+C2H5O2=CH3CHO+C2H5OH+O2	  3.11E14 -1.61 -1.051E3   !5.59E+10	0.0		45.7
	! (221-296 K) Noell et al., J. Phys. Chem. A 2010, 114, 6983-6995


2NC3H7O2=>2NC3H7O+O2    7.00000000E+016 -1.61000000E+000 +1.86000000E+003 
2NC3H7O2=>NC3H7OH+O2+C2H5CHO  1.5e11   0  0
2IC3H7O2=>2IC3H7O+O2    7.00000000E+016 -1.61000000E+000 +1.86000000E+003 
2IC3H7O2=>IC3H7OH+O2+CH3COCH3   1.5e11   0  0



C2H5O2H+H=CH3CHOOH+H2              6.5E10   0.000    1860
	! est CH3OOH+H
! ------ ------ ------ !
C2H5O2H+H=C2H5O2+H2              4.3E10   0.000    1860
	! est CH3OOH+H
! ------ ------ ------ !
C2H5O2H+H=C2H5O+H2O              1.2E10   0.000    1860
	! est CH3OOH+H
! ------ ------ ------ !
C2H5O2H+O=CH3CHOOH+OH              1.6E13   0.000    4750
	! est  CH3OOH+O
! ------ ------ ------ !
C2H5O2H+O=C2H5O2+OH              8.7E12   0.000    4750
	! est CH3OOH+O
! ------ ------ ------ !
C2H5O2H+OH=CH3CHOOH+H2O            7.2E11   0.000    -258
	! est CH3OOH+OH
! ------ ------ ------ !
C2H5O2H+OH=C2H5O2+H2O            1.1E12   0.000    -437
	! est CH3OOH+OH
! ------ ------ ------ !
C2H5O2H+HO2=C2H5O2+H2O2          4.1E04   2.500   10206
	! est CH2O+HO2

CH3CHOOH=CH3CHO+OH                   3.50E12  -0.947     979
PLOG /1.0         		           3.50E12  -0.947     979/
PLOG /10.0			                 3.50E13  -0.947     980/
PLOG /100.0			                 5.75E14  -1.012    1068/



!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: KHP_HOMOLYTIC_FISSION
!___________________________________________________________________________________________________________ 
!C2H5O2H(+M)<=>C2H5O+OH(+M)                        +4.04972000E+019 -1.15300000E+000 +4.42504900E+004 !\Author: SP !\Ref: A.W.JASPER, S.J.KLIPPENSTEIN, L.B.HARDING, PROC.COMBUST.INST. 32(2009) 279-286 !\Comment: WARNING 
!LOW /                                             +3.80285000E+042 -7.50200000E+000 +4.67560970E+004 /
!TROE /                           +8.37500000E-001 +3.65620000E+004 +4.98800000E+002 +9.99000000E+003 /

C2H5O2H=C2H5O+OH   1  1  1
PLOG / 0.1   6.05E58   -14.05   54131 /
PLOG / 1.0   9.26E52   -11.91   53378 /
PLOG / 100   1.38E33   -5.27    48696 /
	! (300-1000 K) from D. Chen et al., J. Phys. Chem. A 115 (2011) 602-611.

!C2H5O2H<=>C2H5O+OH                              +2.05000000E+019 -1.09000000E+000 +4.44000000E+004 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: C2H5O2H
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: C2H4O1-2
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C2H4O1-2<=>CH3+HCO                                +3.63000000E+013 +0.00000000E+000 +5.72000000E+004 !\Author: WARNING !\Ref: LIFSHITZ ET AL. 1983 !\Comment: WARNING 
C2H4O1-2<=>CH3CHO                                 +7.40700000E+012 +0.00000000E+000 +5.38000000E+004 !\Author: WARNING !\Ref: CURRAN, FIT TO NIST DATABASE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C2H4O1-2+H<=>C2H3O1-2+H2                          +8.00000000E+013 +0.00000000E+000 +9.68000000E+003 !\Author: WARNING !\Ref: BALDWIN ET AL., J. CHEM. SOC. FARADAY TRANS. 1, 80, 435(1984) !\Comment: WARNING 
C2H4O1-2+OH<=>C2H3O1-2+H2O                        +1.78000000E+013 +0.00000000E+000 +3.61000000E+003 !\Author: WARNING !\Ref: BALDWIN ET AL., J. CHEM. SOC. FARADAY TRANS. 1, 80, 435(1984) !\Comment: WARNING 
C2H4O1-2+HO2<=>C2H3O1-2+H2O2                      +1.13000000E+013 +0.00000000E+000 +3.04300000E+004 !\Author: WARNING !\Ref: ANALOGY WITH ETHENE !\Comment: WARNING 
C2H4O1-2+CH3<=>C2H3O1-2+CH4                       +1.07000000E+012 +0.00000000E+000 +1.18300000E+004 !\Author: WARNING !\Ref: BALDWIN ET AL., J. CHEM. SOC. FARADAY TRANS. 1, 80, 435(1984) !\Comment: WARNING 
C2H4O1-2+CH3O<=>C2H3O1-2+CH3OH                    +1.20000000E+011 +0.00000000E+000 +6.75000000E+003 !\Author: WARNING !\Ref: BALDWIN ET AL., J. CHEM. SOC. FARADAY TRANS. 1, 80, 435(1984) !\Comment: WARNING 
C2H4O1-2+CH3O2<=>C2H3O1-2+CH3O2H                  +1.13000000E+013 +0.00000000E+000 +3.04300000E+004 !\Author: WARNING !\Ref: ANALOGY WITH ETHENE !\Comment: WARNING 
C2H4O1-2+C2H5O2<=>C2H3O1-2+C2H5O2H                +1.13000000E+013 +0.00000000E+000 +3.04300000E+004 !\Author: WARNING !\Ref: ANALOGY WITH ETHENE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ISOMERISATION
!___________________________________________________________________________________________________________ 
C2H3O1-2<=>CH3CO                                  +8.50000000E+014 +0.00000000E+000 +1.40000000E+004 !\Author: WARNING !\Ref: BALDWIN ET AL., J. CHEM. SOC. FARADAY TRANS. 1, 80, 435(1984) !\Comment: WARNING 
C2H3O1-2<=>CH2CHO                                 +1.00000000E+014 +0.00000000E+000 +1.40000000E+004 !\Author: WARNING !\Ref: BALDWIN ET AL., J. CHEM. SOC. FARADAY TRANS. 1, 80, 435(1984) !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: C2H4O1-2
!===========================================================================================================
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C2H6
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C2H4
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C2H3+H<=>C2H4                                     +1.24950000E+019 -1.59200000E+000 +1.96108900E+003 !\Author: ABS REFIT_ARAMCO BASIS !\Ref: S.J.KLIPPENSTEIN, L.B.HARDING, PHYS.CHEM.CHEM.PHYS. 1(1999) 989 !\Comment: BASIS FOR THE CHEMICALLY ACTIVATED PATHWAY 
PLOG /                           +1.00000000E-003 +1.19350000E+026 -5.02100000E+000 +3.08975700E+003 /
PLOG /                           +1.00000000E-002 +1.05350000E+027 -5.00000000E+000 +3.07336400E+003 /
PLOG /                           +1.00000000E-001 +2.10700000E+028 -5.08500000E+000 +3.48577200E+003 /
PLOG /                           +1.00000000E+000 +8.82000000E+029 -5.23600000E+000 +5.08016400E+003 /
PLOG /                           +1.00000000E+001 +3.62390000E+022 -2.79100000E+000 +2.63700500E+003 /
PLOG /                           +1.00000000E+002 +1.24950000E+019 -1.59200000E+000 +1.96108900E+003 /
C2H4(+M)<=>H2+H2CC(+M)                            +8.00000000E+012 +4.40000000E-001 +8.88000000E+004 !\Author: ABS GLARBORG_ET AL 2016_WANG !\Ref: WARNING !\Comment: WARNING 
LOW /                                             +7.00000000E+050 -9.31000000E+000 +9.99000000E+004 /
TROE /                           +7.34500000E-001 +1.80000000E+002 +1.03500000E+003 +5.41700000E+003 /
AR / +0.7000 / CO / +1.5000 / CO2 / +2.0000 / CH4 / +2.0000 / H2 / +2.0000 / C2H6 / +3.0000 / H2O / +6.0000 / 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C2H4+O2<=>C2H3+HO2                                +7.17000000E+013 +0.00000000E+000 +6.00100000E+004 !\Author: UB !\Ref: H.HUA, B.RUSCIC, B.S.WANG, CHEM. PHYS. 311(2005) 335-341 !\Comment: WARNING 
!C2H4+H<=>C2H3+H2                                   4.79E+05           2.55E+00         1.24E+04!\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT 
C2H4+H<=>C2H3+H2                                  +6.18900000E+006 +2.31000000E+000 +1.28299000E+004 !\Author: UB !\Ref: K.P.SOMERS PERSONAL COMMUNICATION WB97XD/CC-PVTZ//QCISD-T !\Comment: WARNING 
C2H4+OH<=>C2H3+H2O                                +1.34880000E-001 +4.19650000E+000 -8.65630000E+002 !\Author: UB !\Ref: J.P. SENOSIAIN, S.J. KLIPPENSTEIN, J.A. MILLER, J. PHYS. CHEM. A, 110(2006) 6960-6970 !\Comment: WARNING 
C2H4+HO2<=>C2H3+H2O2                              +1.91400000E+003 +3.05900000E+000 +2.07986000E+004 !\Author: UB !\Ref: C3 NUIG CALCULATION J.M !\Comment: ADDED AS ANALOGY TO ABSTRACTION FROM PROPENE VINYL SITE INCREASED AX2 TO ACCOUNT FOR NO. H-ATOMS 
C2H4+CH3O<=>C2H3+CH3OH                            +1.20000000E+011 +0.00000000E+000 +6.75000000E+003 !\Author: WARNING !\Ref: TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15 !\Comment: WARNING 
C2H4+CH3O2<=>C2H3+CH3O2H                          +3.82800000E+003 +3.05900000E+000 +2.07986000E+004 !\Author: UB !\Ref: ANALOGY TO C2H4+HO2 !\Comment: REDUCED BY FACTOR OF 2.5 RELATIVE TO HO2 'K' SIMILAR TO APPROACH IN C3H6 
C2H4+C2H5O2<=>C2H3+C2H5O2H                        +3.82800000E+003 +3.05900000E+000 +2.07986000E+004 !\Author: UB !\Ref: ANALOGY TO C2H4+HO2 !\Comment: REDUCED BY FACTOR OF 2.5 RELATIVE TO HO2 'K' SIMILAR TO APPROACH IN C3H6 
C2H4+CH3CO3<=>C2H3+CH3CO3H                        +1.13000000E+013 +0.00000000E+000 +3.04300000E+004 !\Author: WARNING !\Ref: BAULCH ET AL., J. PHYS. CHEM. REF DATA, 21 !\Comment: WARNING 
C2H4+CH3<=>C2H3+CH4                               +9.75564000E+002 +2.94700000E+000 +1.51480000E+004 !\Author: UB !\Ref: J.A. MILLER, S.J. KLIPPENSTEIN, J. PHYS. CHEM. 117(2013) 2718-2727 !\Comment: WARNING 
DUP
C2H4+CH3<=>C2H3+CH4                               +8.12970000E-005 +4.41700000E+000 +8.83580000E+003 !\Author: UB !\Ref: J.A. MILLER, S.J. KLIPPENSTEIN, J. PHYS. CHEM. 117(2013) 2718-2727 !\Comment: WARNING 
DUP
C2H4+C2H5<=>C2H3+C2H6                             +4.87782000E+002 +2.94700000E+000 +1.51480000E+004 !\Author: UB !\Ref: J.A. MILLER, S.J. KLIPPENSTEIN, J. PHYS. CHEM. 117(2013) 2718-2727 !\Comment: ANALOGY TO ABSTRACTION BY CH3 
DUP
C2H4+C2H5<=>C2H3+C2H6                             +4.06485000E-005 +4.41700000E+000 +8.83580000E+003 !\Author: UB !\Ref: J.A. MILLER, S.J. KLIPPENSTEIN, J. PHYS. CHEM. 117(2013) 2718-2727 !\Comment: ANALOGY TO ABSTRACTION BY CH3 
DUP
C2H4+C2H3OO<=>C2H3+C2H3OOH                        +3.82800000E+003 +3.05900000E+000 +2.07986000E+004 !\Author: UB !\Ref: ANALOGY TO C2H4+HO2 !\Comment: REDUCED BY FACTOR OF 2.5 RELATIVE TO HO2 'K' SIMILAR TO APPROACH IN C3H6 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONO
!___________________________________________________________________________________________________________ 
C2H4+O<=>CH3+HCO                                  +5.70800000E+017 -1.71300000E+000 +2.88776000E+003 !\Author: UB !\Ref: X.LI, A.W.JASPER, J.ZADOR, J.A.MILLER, S.J.KLIPPENSTEIN !\Comment: WARNING 
C2H4+O<=>CH3CO+H                                  +8.41400000E+012 -4.81000000E-001 +1.95250000E+003 !\Author: UB !\Ref: X.LI, A.W.JASPER, J.ZADOR, J.A.MILLER, S.J.KLIPPENSTEIN !\Comment: WARNING 
C2H4+O<=>CH2CHO+H                                 +3.00500000E+010 +7.95000000E-001 +1.95253000E+003 !\Author: UB !\Ref: X.LI, A.W.JASPER, J.ZADOR, J.A.MILLER, S.J.KLIPPENSTEIN !\Comment: WARNING 
C2H4+O<=>CH2+CH2O                                 +5.77500000E+006 +1.99100000E+000 +2.85975000E+003 !\Author: UB !\Ref: X.LI, A.W.JASPER, J.ZADOR, J.A.MILLER, S.J.KLIPPENSTEIN !\Comment: WARNING 
C2H4+O<=>CH2CO+H2                                 +2.11800000E+016 -1.61700000E+000 +2.85963000E+003 !\Author: UB !\Ref: X.LI, A.W.JASPER, J.ZADOR, J.A.MILLER, S.J.KLIPPENSTEIN !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONH
!___________________________________________________________________________________________________________ 
CH+CH4<=>C2H4+H                                   +6.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: BUTLER, FLEMING, GOSS, LIN, ACS SYMP. SER. 134(1980). !\Comment: WARNING 
CH2(S)+CH3<=>C2H4+H                               +2.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: MARINOV ESTIMATE. !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONOH
!___________________________________________________________________________________________________________ 
C2H4+OH<=>CH3+CH2O                                +2.76000000E+013 -5.00000000E-001 +1.14551000E+004 !\Author: WARNING !\Ref: SJK, J PHYS CHEM 110 2006 6960-6970 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.35000000E+000 +2.92000000E+000 -1.73270000E+003 /
PLOG /                           +2.50000000E-002 +3.19000000E+001 +2.71000000E+000 -1.17230000E+003 /
PLOG /                           +1.00000000E-001 +5.55000000E+002 +2.36000000E+000 -1.80800000E+002 /
PLOG /                           +1.00000000E+000 +1.78000000E+005 +1.68000000E+000 +2.06050000E+003 /
PLOG /                           +1.00000000E+001 +2.37000000E+009 +5.60000000E-001 +6.00670000E+003 /
PLOG /                           +1.00000000E+002 +2.76000000E+013 -5.00000000E-001 +1.14551000E+004 /
C2H4+OH<=>CH3CHO+H                                +6.80000000E+009 +8.10000000E-001 +1.38673000E+004 !\Author: WARNING !\Ref: SJK, J PHYS CHEM 110 2006 6960-6970 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.37000000E-007 +5.30000000E+000 -2.05060000E+003 /
PLOG /                           +2.50000000E-002 +8.73000000E-005 +4.57000000E+000 -6.18000000E+002 /
PLOG /                           +1.00000000E-001 +4.03000000E-001 +3.54000000E+000 +1.88170000E+003 /
PLOG /                           +1.00000000E+000 +2.38000000E-002 +3.91000000E+000 +1.72270000E+003 /
PLOG /                           +1.00000000E+001 +8.25000000E+008 +1.01000000E+000 +1.05073000E+004 /
PLOG /                           +1.00000000E+002 +6.80000000E+009 +8.10000000E-001 +1.38673000E+004 /
C2H4+OH<=>C2H3OH+H                                +8.55000000E+010 +7.50000000E-001 +1.14908000E+004 !\Author: WARNING !\Ref: SJK, J PHYS CHEM 110 2006 6960-6970 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.04000000E+004 +2.60000000E+000 +4.12100000E+003 /
PLOG /                           +2.50000000E-002 +1.07000000E+004 +2.60000000E+000 +4.12900000E+003 /
PLOG /                           +1.00000000E-001 +1.52000000E+004 +2.56000000E+000 +4.23830000E+003 /
PLOG /                           +1.00000000E+000 +3.19000000E+005 +2.19000000E+000 +5.25560000E+003 /
PLOG /                           +1.00000000E+001 +1.94000000E+008 +1.43000000E+000 +7.82880000E+003 /
PLOG /                           +1.00000000E+002 +8.55000000E+010 +7.50000000E-001 +1.14908000E+004 /
C2H4+OH<=>PC2H4OH                                 +1.12000000E+026 -4.10100000E+000 +5.75700000E+003 !\Author: WARNING !\Ref: SJK, J PHYS CHEM 110 2006 6960-6970 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.74000000E+043 -1.04610000E+001 +7.69870000E+003 /
PLOG /                           +2.50000000E-002 +3.25000000E+037 -8.62900000E+000 +5.21470000E+003 /
PLOG /                           +1.00000000E-001 +1.84000000E+035 -7.75000000E+000 +4.90890000E+003 /
PLOG /                           +1.00000000E+000 +2.56000000E+036 -7.75200000E+000 +6.94610000E+003 /
PLOG /                           +1.00000000E+001 +3.70000000E+033 -6.57300000E+000 +7.60590000E+003 /
PLOG /                           +1.00000000E+002 +1.12000000E+026 -4.10100000E+000 +5.75700000E+003 /
!===========================================================================================================
!\SUBSPECIES: C2H3
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C2H2+H(+M)<=>C2H3(+M)                             +1.71000000E+010 +1.26600000E+000 +2.70900000E+003 !\Author: WARNING !\Ref: MILLER KLIPPENSTEIN PCCP 2004, 6, 1192-1202 !\Comment: WARNING 
LOW /                                             +6.34600000E+031 -4.66400000E+000 +3.78000000E+003 /
TROE /                                            +7.88000000E-001 -1.02000000E+004 +1.00000000E-030 /
AR / +0.7000 / N2 / +1.4000 / CO / +1.5000 / CO2 / +2.0000 / H2 / +2.0000 / CH4 / +2.0000 / C2H6 / +3.0000 / H2O / +6.0000 / HE/0.7/
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C2H3+O2<=>C2H3OO                                  +3.41000000E+039 -8.04000000E+000 +1.43600000E+004 !\Author: WARNING !\Ref: GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.55000000E+024 -5.45000000E+000 +9.66200000E+003 /
PLOG /                           +1.00000000E-002 +1.78000000E-009 +4.15000000E+000 -4.70700000E+003 /
PLOG /                           +1.00000000E-001 +3.48000000E+056 -1.50100000E+001 +1.91600000E+004 /
PLOG /                           +1.00000000E-001 +2.36000000E+022 -4.52000000E+000 +2.83900000E+003 /
PLOG /                           +3.16000000E-001 +1.25000000E+064 -1.69700000E+001 +2.12900000E+004 /
PLOG /                           +3.16000000E-001 +2.00000000E+026 -5.43000000E+000 +2.72500000E+003 /
PLOG /                           +1.00000000E+000 +3.34000000E+061 -1.57900000E+001 +2.01500000E+004 /
PLOG /                           +1.00000000E+000 +6.13000000E+028 -5.89000000E+000 +3.15400000E+003 /
PLOG /                           +3.16000000E+000 +7.34000000E+053 -1.31100000E+001 +1.73000000E+004 /
PLOG /                           +3.16000000E+000 +2.14000000E+029 -5.80000000E+000 +3.52000000E+003 /
PLOG /                           +1.00000000E+001 +4.16000000E+048 -1.12100000E+001 +1.60000000E+004 /
PLOG /                           +1.00000000E+001 +3.48000000E+028 -5.37000000E+000 +3.63600000E+003 /
PLOG /                           +3.16000000E+001 +2.33000000E+043 -9.38000000E+000 +1.48100000E+004 /
PLOG /                           +3.16000000E+001 +3.32000000E+027 -4.95000000E+000 +3.61000000E+003 /
PLOG /                           +1.00000000E+002 +3.41000000E+039 -8.04000000E+000 +1.43600000E+004 /
PLOG /                           +1.00000000E+002 +1.03000000E+027 -4.72000000E+000 +3.68000000E+003 /
C2H3+O2<=>CHCHO+OH                                +1.65000000E+030 -5.35000000E+000 +1.84300000E+004 !\Author: WARNING !\Ref: GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.91000000E+011 -1.10000000E-001 +2.13100000E+003 /
PLOG /                           +1.00000000E-002 +9.91000000E+011 -6.60000000E-001 -6.00000000E-001 /
PLOG /                           +1.00000000E-001 +1.13000000E+009 +5.50000000E-001 +4.60000000E+001 /
PLOG /                           +1.00000000E-001 +6.94000000E+014 -1.16000000E+000 +4.54200000E+003 /
PLOG /                           +3.16000000E-001 +8.46000000E+008 +5.60000000E-001 +7.00000000E-001 /
PLOG /                           +3.16000000E-001 +2.79000000E+013 -7.20000000E-001 +3.47900000E+003 /
PLOG /                           +1.00000000E+000 +2.75000000E+014 -1.83000000E+000 +4.60000000E+000 /
PLOG /                           +1.00000000E+000 +4.99000000E+011 -1.40000000E-001 +1.99500000E+003 /
PLOG /                           +3.16000000E+000 +2.58000000E+020 -2.84000000E+000 +7.53000000E+003 /
PLOG /                           +3.16000000E+000 +2.35000000E+010 +2.30000000E-001 +1.57300000E+003 /
PLOG /                           +1.00000000E+001 +9.18000000E+014 -2.26000000E+000 -4.00000000E-001 /
PLOG /                           +1.00000000E+001 +1.70000000E+014 -8.20000000E-001 +4.45000000E+003 /
PLOG /                           +3.16000000E+001 +6.11000000E+025 -4.21000000E+000 +1.30500000E+004 /
PLOG /                           +3.16000000E+001 +1.42000000E+011 +5.00000000E-002 +3.77400000E+003 /
PLOG /                           +1.00000000E+002 +1.65000000E+030 -5.35000000E+000 +1.84300000E+004 /
PLOG /                           +1.00000000E+002 +3.17000000E+011 -2.00000000E-002 +5.33800000E+003 /
C2H3+O2<=>CH2CHO+O                                +9.27000000E+025 -3.80000000E+000 +1.39100000E+004 !\Author: UB !\Ref: GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +7.16000000E+020 -2.67000000E+000 +6.74200000E+003 /
PLOG /                           +1.00000000E-002 +1.24000000E+010 +6.20000000E-001 -2.77600000E+002 /
PLOG /                           +1.00000000E-001 +7.02000000E+020 -2.67000000E+000 +6.71300000E+003 /
PLOG /                           +1.00000000E-001 +1.29000000E+010 +6.20000000E-001 -2.47700000E+002 /
PLOG /                           +3.16000000E-001 +8.97000000E+020 -2.70000000E+000 +6.72400000E+003 /
PLOG /                           +3.16000000E-001 +1.51000000E+010 +6.00000000E-001 -1.62500000E+002 /
PLOG /                           +1.00000000E+000 +6.45000000E+020 -2.65000000E+000 +6.48900000E+003 /
PLOG /                           +1.00000000E+000 +1.84000000E+010 +5.80000000E-001 +3.84000000E+001 /
PLOG /                           +3.16000000E+000 +4.09000000E+020 -2.53000000E+000 +6.40600000E+003 /
PLOG /                           +3.16000000E+000 +8.86000000E+009 +6.70000000E-001 +2.48000000E+002 /
PLOG /                           +1.00000000E+001 +1.60000000E+023 -3.22000000E+000 +8.69700000E+003 /
PLOG /                           +1.00000000E+001 +6.67000000E+009 +7.20000000E-001 +7.78100000E+002 /
PLOG /                           +3.16000000E+001 +2.85000000E+025 -3.77000000E+000 +1.15300000E+004 /
PLOG /                           +3.16000000E+001 +1.43000000E+009 +9.20000000E-001 +1.21900000E+003 /
PLOG /                           +1.00000000E+002 +9.27000000E+025 -3.80000000E+000 +1.39100000E+004 /
PLOG /                           +1.00000000E+002 +7.14000000E+007 +1.28000000E+000 +1.40100000E+003 /
C2H3+O2<=>C2H2+HO2                                +1.06000000E+017 -1.45000000E+000 +1.22300000E+004 !\Author: WARNING !\Ref: GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.08000000E+007 +1.28000000E+000 +3.32200000E+003 /
PLOG /                           +1.00000000E-002 +4.76000000E+001 +2.75000000E+000 -7.96400000E+002 /
PLOG /                           +1.00000000E-001 +7.75000000E+006 +1.33000000E+000 +3.21600000E+003 /
PLOG /                           +1.00000000E-001 +5.16000000E+001 +2.73000000E+000 -7.68300000E+002 /
PLOG /                           +3.16000000E-001 +1.21000000E+007 +1.27000000E+000 +3.31100000E+003 /
PLOG /                           +3.16000000E-001 +5.55000000E+001 +2.73000000E+000 -6.58500000E+002 /
PLOG /                           +1.00000000E+000 +2.15000000E+007 +1.19000000E+000 +3.36700000E+003 /
PLOG /                           +1.00000000E+000 +4.60000000E+001 +2.76000000E+000 -4.92800000E+002 /
PLOG /                           +3.16000000E+000 +1.13000000E+008 +1.00000000E+000 +3.69500000E+003 /
PLOG /                           +3.16000000E+000 +3.75000000E+000 +3.07000000E+000 -6.01000000E+002 /
PLOG /                           +1.00000000E+001 +1.31000000E+011 +1.20000000E-001 +5.87200000E+003 /
PLOG /                           +1.00000000E+001 +5.48000000E+000 +3.07000000E+000 +8.57000000E+001 /
PLOG /                           +3.16000000E+001 +1.19000000E+009 +8.20000000E-001 +5.61700000E+003 /
PLOG /                           +3.16000000E+001 +4.47000000E+008 +0.00000000E+000 +9.55000000E+002 /
PLOG /                           +1.00000000E+002 +1.06000000E+017 -1.45000000E+000 +1.22300000E+004 /
PLOG /                           +1.00000000E+002 +2.02000000E+001 +2.94000000E+000 +1.84700000E+003 /
C2H3+O2<=>CHOCHO+H                                +3.28000000E+031 -5.76000000E+000 +1.62500000E+004 !\Author: WARNING !\Ref: GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.79000000E+014 -1.03000000E+000 +9.12000000E+002 /
PLOG /                           +1.00000000E-002 +2.80000000E-004 +4.04000000E+000 -7.01900000E+003 /
PLOG /                           +1.00000000E-001 +5.03000000E+014 -1.04000000E+000 +9.22500000E+002 /
PLOG /                           +1.00000000E-001 +3.45000000E-004 +4.01000000E+000 -6.97800000E+003 /
PLOG /                           +3.16000000E-001 +6.43000000E+014 -1.07000000E+000 +9.82900000E+002 /
PLOG /                           +3.16000000E-001 +9.73000000E-004 +3.89000000E+000 -6.76800000E+003 /
PLOG /                           +1.00000000E+000 +3.73000000E+015 -1.29000000E+000 +1.44100000E+003 /
PLOG /                           +1.00000000E+000 +4.98000000E-001 +3.15000000E+000 -5.49600000E+003 /
PLOG /                           +3.16000000E+000 +2.44000000E+018 -2.13000000E+000 +3.23400000E+003 /
PLOG /                           +3.16000000E+000 +1.34000000E+005 +1.67000000E+000 -2.93100000E+003 /
PLOG /                           +1.00000000E+001 +1.30000000E+015 -1.09000000E+000 +2.39300000E+003 /
PLOG /                           +1.00000000E+001 +4.50000000E+015 -3.08000000E+000 -4.83600000E+003 /
PLOG /                           +3.16000000E+001 +3.57000000E+033 -6.50000000E+000 +1.49100000E+004 /
PLOG /                           +3.16000000E+001 +3.84000000E+010 +2.20000000E-001 +9.41300000E+002 /
PLOG /                           +1.00000000E+002 +3.28000000E+031 -5.76000000E+000 +1.62500000E+004 /
PLOG /                           +1.00000000E+002 +2.75000000E+008 +8.30000000E-001 +8.57600000E+002 /
C2H3+O2<=>CH2CO+OH                                +1.66000000E+010 +3.60000000E-001 +1.20100000E+004 !\Author: WARNING !\Ref: GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.66000000E+002 +2.41000000E+000 +6.06100000E+003 /
PLOG /                           +1.00000000E-002 +1.82000000E-001 +3.12000000E+000 +1.33100000E+003 /
PLOG /                           +1.00000000E-001 +8.91000000E+002 +2.41000000E+000 +6.07800000E+003 /
PLOG /                           +1.00000000E-001 +2.07000000E-001 +3.11000000E+000 +1.38300000E+003 /
PLOG /                           +3.16000000E-001 +9.43000000E+002 +2.40000000E+000 +6.11200000E+003 /
PLOG /                           +3.16000000E-001 +2.71000000E-001 +3.08000000E+000 +1.49600000E+003 /
PLOG /                           +1.00000000E+000 +1.06000000E+003 +2.39000000E+000 +6.18000000E+003 /
PLOG /                           +1.00000000E+000 +5.26000000E-001 +3.01000000E+000 +1.77700000E+003 /
PLOG /                           +3.16000000E+000 +1.09000000E+003 +2.38000000E+000 +6.17900000E+003 /
PLOG /                           +3.16000000E+000 +1.37000000E+000 +2.90000000E+000 +2.22500000E+003 /
PLOG /                           +1.00000000E+001 +1.39000000E+003 +2.36000000E+000 +6.07400000E+003 /
PLOG /                           +1.00000000E+001 +4.19000000E-001 +2.93000000E+000 +2.05200000E+003 /
PLOG /                           +3.16000000E+001 +2.49000000E+006 +1.42000000E+000 +8.48000000E+003 /
PLOG /                           +3.16000000E+001 +1.19000000E-004 +4.21000000E+000 +2.04300000E+003 /
PLOG /                           +1.00000000E+002 +1.66000000E+010 +3.60000000E-001 +1.20100000E+004 /
PLOG /                           +1.00000000E+002 +1.30000000E-003 +3.97000000E+000 +3.41400000E+003 /
C2H3+O2<=>CH2O+HCO                                +3.03000000E+033 -6.28000000E+000 +1.60000000E+004 !\Author: UB !\Ref: GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.77000000E+036 -7.60000000E+000 +1.26400000E+004 /
PLOG /                           +1.00000000E-002 +5.04000000E+015 -1.28000000E+000 +5.15300000E+002 /
PLOG /                           +1.00000000E-001 +2.70000000E+036 -7.60000000E+000 +1.26100000E+004 /
PLOG /                           +1.00000000E-001 +5.10000000E+015 -1.28000000E+000 +5.13000000E+002 /
PLOG /                           +3.16000000E-001 +2.17000000E+036 -7.57000000E+000 +1.24900000E+004 /
PLOG /                           +3.16000000E-001 +5.34000000E+015 -1.29000000E+000 +5.20600000E+002 /
PLOG /                           +1.00000000E+000 +3.03000000E+035 -7.32000000E+000 +1.18200000E+004 /
PLOG /                           +1.00000000E+000 +6.76000000E+015 -1.31000000E+000 +6.45700000E+002 /
PLOG /                           +3.16000000E+000 +1.59000000E+036 -7.47000000E+000 +1.24600000E+004 /
PLOG /                           +3.16000000E+000 +1.05000000E+016 -1.36000000E+000 +1.06600000E+003 /
PLOG /                           +1.00000000E+001 +5.76000000E+035 -7.20000000E+000 +1.34300000E+004 /
PLOG /                           +1.00000000E+001 +2.84000000E+015 -1.18000000E+000 +1.42900000E+003 /
PLOG /                           +3.16000000E+001 +3.54000000E+020 -2.57000000E+000 +5.57800000E+003 /
PLOG /                           +3.16000000E+001 +1.14000000E+069 -1.92300000E+001 +1.47600000E+004 /
PLOG /                           +1.00000000E+002 +3.03000000E+033 -6.28000000E+000 +1.60000000E+004 /
PLOG /                           +1.00000000E+002 +4.68000000E+010 +1.90000000E-001 +8.30600000E+002 /
C2H3+O2=>CH2O+H+CO                                +7.07000000E+033 -6.28000000E+000 +1.60000000E+004 !\Author: UB !\Ref: GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.47000000E+036 -7.60000000E+000 +1.26400000E+004 /
PLOG /                           +1.00000000E-002 +1.18000000E+016 -1.28000000E+000 +5.15300000E+002 /
PLOG /                           +1.00000000E-001 +6.29000000E+036 -7.60000000E+000 +1.26100000E+004 /
PLOG /                           +1.00000000E-001 +1.19000000E+016 -1.28000000E+000 +5.13000000E+002 /
PLOG /                           +3.16000000E-001 +5.06000000E+036 -7.57000000E+000 +1.24900000E+004 /
PLOG /                           +3.16000000E-001 +1.26000000E+016 -1.29000000E+000 +5.20600000E+002 /
PLOG /                           +1.00000000E+000 +7.07000000E+035 -7.32000000E+000 +1.18200000E+004 /
PLOG /                           +1.00000000E+000 +1.58000000E+016 -1.31000000E+000 +6.45700000E+002 /
PLOG /                           +3.16000000E+000 +3.72000000E+036 -7.47000000E+000 +1.24600000E+004 /
PLOG /                           +3.16000000E+000 +2.44000000E+016 -1.36000000E+000 +1.06600000E+003 /
PLOG /                           +1.00000000E+001 +1.34000000E+036 -7.20000000E+000 +1.34300000E+004 /
PLOG /                           +1.00000000E+001 +6.64000000E+015 -1.18000000E+000 +1.42900000E+003 /
PLOG /                           +3.16000000E+001 +8.26000000E+020 -2.57000000E+000 +5.57800000E+003 /
PLOG /                           +3.16000000E+001 +2.66000000E+069 -1.92300000E+001 +1.47600000E+004 /
PLOG /                           +1.00000000E+002 +7.07000000E+033 -6.28000000E+000 +1.60000000E+004 /
PLOG /                           +1.00000000E+002 +1.09000000E+011 +1.90000000E-001 +8.30600000E+002 /
C2H3+O2<=>CO+CH3O                                 +5.79000000E+032 -6.45000000E+000 +1.68100000E+004 !\Author: WARNING !\Ref: GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.19000000E+018 -2.66000000E+000 +3.20100000E+003 /
PLOG /                           +1.00000000E-002 +1.29000000E+009 +1.80000000E-001 -1.71700000E+003 /
PLOG /                           +1.00000000E-001 +4.06000000E+014 -1.32000000E+000 +8.85800000E+002 /
PLOG /                           +1.00000000E-001 +5.99000000E+011 -2.93000000E+000 -9.56400000E+003 /
PLOG /                           +3.16000000E-001 +4.34000000E+014 -1.33000000E+000 +9.00600000E+002 /
PLOG /                           +3.16000000E-001 +2.91000000E+011 -2.93000000E+000 -1.01200000E+004 /
PLOG /                           +1.00000000E+000 +1.03000000E+011 -3.30000000E-001 -7.47800000E+002 /
PLOG /                           +1.00000000E+000 +5.77000000E+021 -3.54000000E+000 +4.77200000E+003 /
PLOG /                           +3.16000000E+000 +1.89000000E+012 -3.00000000E+000 -8.99500000E+003 /
PLOG /                           +3.16000000E+000 +4.99000000E+015 -1.62000000E+000 +1.84900000E+003 /
PLOG /                           +1.00000000E+001 +1.93000000E+024 -5.63000000E+000 +1.80000000E+000 /
PLOG /                           +1.00000000E+001 +9.33000000E+016 -1.96000000E+000 +3.32400000E+003 /
PLOG /                           +3.16000000E+001 +1.10000000E+018 -2.22000000E+000 +5.17800000E+003 /
PLOG /                           +3.16000000E+001 +1.02000000E+072 -2.06900000E+001 +1.58600000E+004 /
PLOG /                           +1.00000000E+002 +5.79000000E+032 -6.45000000E+000 +1.68100000E+004 /
PLOG /                           +1.00000000E+002 +1.10000000E+009 +3.10000000E-001 +1.02400000E+003 /
C2H3+O2<=>CO2+CH3                                 +1.21000000E+032 -6.32000000E+000 +1.61900000E+004 !\Author: WARNING !\Ref: GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.37000000E+035 -7.76000000E+000 +1.26300000E+004 /
PLOG /                           +1.00000000E-002 +6.27000000E+013 -1.16000000E+000 +4.06300000E+002 /
PLOG /                           +1.00000000E-001 +1.73000000E+035 -7.72000000E+000 +1.25200000E+004 /
PLOG /                           +1.00000000E-001 +6.24000000E+013 -1.16000000E+000 +4.01400000E+002 /
PLOG /                           +3.16000000E-001 +4.47000000E+034 -7.55000000E+000 +1.21400000E+004 /
PLOG /                           +3.16000000E-001 +6.12000000E+013 -1.16000000E+000 +3.97000000E+002 /
PLOG /                           +1.00000000E+000 +7.25000000E+031 -6.70000000E+000 +1.04400000E+004 /
PLOG /                           +1.00000000E+000 +5.32000000E+013 -1.14000000E+000 +4.46700000E+002 /
PLOG /                           +3.16000000E+000 +3.63000000E+035 -7.75000000E+000 +1.28300000E+004 /
PLOG /                           +3.16000000E+000 +1.45000000E+014 -1.26000000E+000 +9.87700000E+002 /
PLOG /                           +1.00000000E+001 +2.09000000E+035 -7.53000000E+000 +1.40500000E+004 /
PLOG /                           +1.00000000E+001 +5.02000000E+013 -1.11000000E+000 +1.40900000E+003 /
PLOG /                           +3.16000000E+001 +3.84000000E+018 -2.44000000E+000 +5.40800000E+003 /
PLOG /                           +3.16000000E+001 +1.40000000E+070 -2.01100000E+001 +1.54300000E+004 /
PLOG /                           +1.00000000E+002 +1.21000000E+032 -6.32000000E+000 +1.61900000E+004 /
PLOG /                           +1.00000000E+002 +9.21000000E+008 +2.50000000E-001 +8.55300000E+002 /
C2H3OO<=>CHCHO+OH                                 +9.54000000E+195 -5.22700000E+001 +1.63500000E+005 !\Author: WARNING !\Ref: GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.64000000E+049 -1.21300000E+001 +6.74200000E+004 /
PLOG /                           +1.00000000E-002 +1.17000000E+056 -1.48100000E+001 +6.07000000E+004 /
PLOG /                           +1.00000000E-001 +1.44000000E+036 -9.92000000E+000 +4.12200000E+004 /
PLOG /                           +1.00000000E-001 +2.32000000E+040 -9.39000000E+000 +5.04200000E+004 /
PLOG /                           +3.16000000E-001 +4.18000000E+040 -1.05300000E+001 +4.36700000E+004 /
PLOG /                           +3.16000000E-001 +1.61000000E+043 -9.99000000E+000 +5.02900000E+004 /
PLOG /                           +1.00000000E+000 +3.79000000E+046 -1.07200000E+001 +5.19000000E+004 /
PLOG /                           +1.00000000E+000 +2.33000000E+124 -3.67700000E+001 +7.01000000E+004 /
PLOG /                           +3.16000000E+000 +1.60000000E+049 -1.12400000E+001 +5.41500000E+004 /
PLOG /                           +3.16000000E+000 +1.88000000E+103 -2.94900000E+001 +6.54100000E+004 /
PLOG /                           +1.00000000E+001 +2.38000000E+051 -1.16400000E+001 +5.69800000E+004 /
PLOG /                           +1.00000000E+001 +5.96000000E+086 -2.38100000E+001 +6.21700000E+004 /
PLOG /                           +3.16000000E+001 +2.00000000E+054 -1.22200000E+001 +6.18400000E+004 /
PLOG /                           +3.16000000E+001 +1.51000000E+057 -1.39400000E+001 +5.53900000E+004 /
PLOG /                           +1.00000000E+002 +9.54000000E+195 -5.22700000E+001 +1.63500000E+005 /
PLOG /                           +1.00000000E+002 +1.79000000E+034 -6.40000000E+000 +5.00000000E+004 /
C2H3OO<=>CH2CHO+O                                 +4.30000000E+048 -1.03100000E+001 +5.60900000E+004 !\Author: WARNING !\Ref: GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.70000000E+180 -4.81900000E+001 +1.69300000E+005 /
PLOG /                           +1.00000000E-002 +1.47000000E+030 -6.64000000E+000 +4.11100000E+004 /
PLOG /                           +1.00000000E-001 +9.65000000E-012 +5.96000000E+000 +2.28900000E+004 /
PLOG /                           +1.00000000E-001 +3.90000000E+038 -8.69000000E+000 +4.27700000E+004 /
PLOG /                           +3.16000000E-001 +4.57000000E+047 -1.12100000E+001 +4.70500000E+004 /
PLOG /                           +3.16000000E-001 +3.95000000E+022 -3.71000000E+000 +3.62700000E+004 /
PLOG /                           +1.00000000E+000 +7.62000000E+081 -2.12800000E+001 +6.50800000E+004 /
PLOG /                           +1.00000000E+000 +2.39000000E+033 -6.62000000E+000 +4.12800000E+004 /
PLOG /                           +3.16000000E+000 +1.86000000E+068 -1.68300000E+001 +6.06800000E+004 /
PLOG /                           +3.16000000E+000 +6.37000000E+031 -5.96000000E+000 +4.12600000E+004 /
PLOG /                           +1.00000000E+001 +2.02000000E+055 -1.26900000E+001 +5.58400000E+004 /
PLOG /                           +1.00000000E+001 +2.13000000E+029 -5.10000000E+000 +4.07100000E+004 /
PLOG /                           +3.16000000E+001 +1.11000000E+053 -1.17900000E+001 +5.66900000E+004 /
PLOG /                           +3.16000000E+001 +4.66000000E+027 -4.50000000E+000 +4.05300000E+004 /
PLOG /                           +1.00000000E+002 +4.30000000E+048 -1.03100000E+001 +5.60900000E+004 /
PLOG /                           +1.00000000E+002 +5.99000000E+025 -3.85000000E+000 +4.01200000E+004 /
C2H3OO<=>CHOCHO+H                                 +1.30000000E+032 -5.92000000E+000 +4.06600000E+004 !\Author: WARNING !\Ref: GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.41000000E+080 -2.22000000E+001 +5.17500000E+004 /
PLOG /                           +1.00000000E-002 +1.19000000E+028 -6.01000000E+000 +2.87400000E+004 /
PLOG /                           +1.00000000E-001 +3.31000000E+065 -1.70100000E+001 +4.80900000E+004 /
PLOG /                           +1.00000000E-001 +1.40000000E+025 -4.80000000E+000 +2.89400000E+004 /
PLOG /                           +3.16000000E-001 +5.98000000E+051 -1.26200000E+001 +4.30000000E+004 /
PLOG /                           +3.16000000E-001 +2.91000000E+020 -3.29000000E+000 +2.75500000E+004 /
PLOG /                           +1.00000000E+000 +1.48000000E+044 -1.01200000E+001 +4.07900000E+004 /
PLOG /                           +1.00000000E+000 +1.58000000E+019 -2.82000000E+000 +2.76200000E+004 /
PLOG /                           +3.16000000E+000 +1.26000000E+059 -1.43300000E+001 +5.13900000E+004 /
PLOG /                           +3.16000000E+000 +1.93000000E+022 -3.54000000E+000 +2.99800000E+004 /
PLOG /                           +1.00000000E+001 +4.93000000E+026 -4.67000000E+000 +3.43200000E+004 /
PLOG /                           +1.00000000E+001 +7.51000000E+029 -5.75000000E+000 +3.44900000E+004 /
PLOG /                           +3.16000000E+001 +2.06000000E+033 -6.38000000E+000 +3.95200000E+004 /
PLOG /                           +3.16000000E+001 +7.14000000E+061 -1.61600000E+001 +4.32800000E+004 /
PLOG /                           +1.00000000E+002 +1.30000000E+032 -5.92000000E+000 +4.06600000E+004 /
PLOG /                           +1.00000000E+002 +1.14000000E+019 -2.56000000E+000 +2.96700000E+004 /
C2H3OO<=>CH2CO+OH                                 +9.08000000E+035 -7.21000000E+000 +5.75500000E+004 !\Author: WARNING !\Ref: GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.15000000E+047 -1.22800000E+001 +7.53300000E+004 /
PLOG /                           +1.00000000E-002 +2.31000000E+002 -7.30000000E-001 +2.57100000E+004 /
PLOG /                           +1.00000000E-001 +8.43000000E+009 -2.06000000E+000 +3.37200000E+004 /
PLOG /                           +1.00000000E-001 +1.83000000E-023 +7.84000000E+000 +2.01900000E+004 /
PLOG /                           +3.16000000E-001 +6.06000000E+004 +1.70000000E-001 +3.42200000E+004 /
PLOG /                           +3.16000000E-001 +3.82000000E+063 -2.04400000E+001 +4.34200000E+004 /
PLOG /                           +1.00000000E+000 +1.51000000E+019 -3.61000000E+000 +4.30600000E+004 /
PLOG /                           +1.00000000E+000 +3.18000000E+027 -7.76000000E+000 +3.72300000E+004 /
PLOG /                           +3.16000000E+000 +2.13000000E+033 -7.39000000E+000 +5.16100000E+004 /
PLOG /                           +3.16000000E+000 +2.32000000E-005 +3.47000000E+000 +3.15600000E+004 /
PLOG /                           +1.00000000E+001 +4.44000000E+036 -7.99000000E+000 +5.46800000E+004 /
PLOG /                           +1.00000000E+001 +1.06000000E-001 +2.64000000E+000 +3.41600000E+004 /
PLOG /                           +3.16000000E+001 +1.19000000E+037 -7.80000000E+000 +5.64600000E+004 /
PLOG /                           +3.16000000E+001 +5.62000000E+002 +1.70000000E+000 +3.64500000E+004 /
PLOG /                           +1.00000000E+002 +9.08000000E+035 -7.21000000E+000 +5.75500000E+004 /
PLOG /                           +1.00000000E+002 +1.11000000E+007 +5.20000000E-001 +3.86700000E+004 /
C2H3OO<=>CH2O+HCO                                 +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 !\Author: WARNING !\Ref: GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.66000000E+174 -5.55200000E+001 +6.03200000E+004 /
PLOG /                           +1.00000000E-002 +2.27000000E+035 -7.97000000E+000 +3.12800000E+004 /
PLOG /                           +1.00000000E-001 +9.03000000E+066 -1.72500000E+001 +4.81200000E+004 /
PLOG /                           +1.00000000E-001 +2.08000000E+026 -4.96000000E+000 +2.87800000E+004 /
PLOG /                           +3.16000000E-001 +1.82000000E+043 -9.87000000E+000 +3.79600000E+004 /
PLOG /                           +3.16000000E-001 +1.45000000E+020 -3.08000000E+000 +2.66300000E+004 /
PLOG /                           +1.00000000E+000 +8.64000000E+033 -6.88000000E+000 +3.43700000E+004 /
PLOG /                           +1.00000000E+000 +1.06000000E+130 -3.93800000E+001 +5.47000000E+004 /
PLOG /                           +3.16000000E+000 +7.29000000E+171 -4.35300000E+001 +1.91900000E+005 /
PLOG /                           +3.16000000E+000 +2.35000000E+034 -6.87000000E+000 +3.57000000E+004 /
PLOG /                           +1.00000000E+001 +1.03000000E+032 -6.06000000E+000 +3.55000000E+004 /
PLOG /                           +1.00000000E+001 +2.18000000E+175 -5.37800000E+001 +6.85000000E+004 /
PLOG /                           +3.16000000E+001 +1.85000000E+034 -6.57000000E+000 +3.85100000E+004 /
PLOG /                           +3.16000000E+001 +1.07000000E+185 -5.42200000E+001 +8.89900000E+004 /
PLOG /                           +1.00000000E+002 +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+002 +4.68000000E+002 +1.81000000E+000 +1.81000000E+004 /
C2H3OO=>CH2O+H+CO                                 +1.33000000E+030 -5.19000000E+000 +3.68000000E+004 !\Author: WARNING !\Ref: GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.88000000E+174 -5.55200000E+001 +6.03200000E+004 /
PLOG /                           +1.00000000E-002 +5.29000000E+035 -7.97000000E+000 +3.12800000E+004 /
PLOG /                           +1.00000000E-001 +2.11000000E+067 -1.72500000E+001 +4.81200000E+004 /
PLOG /                           +1.00000000E-001 +4.85000000E+026 -4.96000000E+000 +2.87800000E+004 /
PLOG /                           +3.16000000E-001 +4.26000000E+043 -9.87000000E+000 +3.79600000E+004 /
PLOG /                           +3.16000000E-001 +3.37000000E+020 -3.08000000E+000 +2.66300000E+004 /
PLOG /                           +1.00000000E+000 +2.02000000E+034 -6.88000000E+000 +3.43700000E+004 /
PLOG /                           +1.00000000E+000 +2.46000000E+130 -3.93800000E+001 +5.47000000E+004 /
PLOG /                           +3.16000000E+000 +1.70000000E+172 -4.35300000E+001 +1.91900000E+005 /
PLOG /                           +3.16000000E+000 +5.49000000E+034 -6.87000000E+000 +3.57000000E+004 /
PLOG /                           +1.00000000E+001 +2.40000000E+032 -6.06000000E+000 +3.55000000E+004 /
PLOG /                           +1.00000000E+001 +5.09000000E+175 -5.37800000E+001 +6.85000000E+004 /
PLOG /                           +3.16000000E+001 +4.32000000E+034 -6.57000000E+000 +3.85100000E+004 /
PLOG /                           +3.16000000E+001 +2.49000000E+185 -5.42200000E+001 +8.89900000E+004 /
PLOG /                           +1.00000000E+002 +1.33000000E+030 -5.19000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+002 +1.09000000E+003 +1.81000000E+000 +1.81000000E+004 /
C2H3OO=CO+CH3O                             1.60E+04    1.676	  22805.65 !\Author: WARNING !\Ref: GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /  1.00E-02  5.20E+33   -7.920   31320 /
PLOG /  1.00E-02 2.31E+129  -41.860   45850 /
PLOG /  1.00E-01  1.26E+98  -27.090   64060 /
PLOG /  1.00E-01  2.42E+28   -5.990   30540 /
PLOG /  3.16E-01  1.80E+33   -7.270   33760 /
PLOG /  3.16E-01  8.69E-50   16.630   -3900 /
PLOG /  1.00E+00  3.83E+33   -7.200   35100 /
PLOG /  1.00E+00  1.19E-39   13.610   -1317 /
PLOG /  3.16E+00  1.28E+79  -19.610   74870 /
PLOG /  3.16E+00  8.80E+86  -23.080   61010 /
PLOG /  1.00E+01  4.07E+32   -6.620   37210 /
PLOG /  1.00E+01  1.27E+03    1.440   18660 /
PLOG /  3.16E+01  6.86E+44  -10.040   47030 /
PLOG /  3.16E+01  1.97E+17   -2.230   28590 /
!DONG 1027 REFIT CONVERGE!PLOG /  1.00E+02 -1.07E+04    1.330   15620 /
!DONG 1027 REFIT CONVERGE!PLOG /  1.00E+02  1.16E-07    4.810   12010 /
PLOG /  1.00E+02  8.18E-07    4.747	  19711.98 /  ! fit btw. 500 and 2000 K with MAE of 76%, 40%
PLOG /  1.00E+02  1.60E+04    1.676	  22805.65 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>RH_RH
!___________________________________________________________________________________________________________ 
!C2H3+H<=>C2H2+H2                                  +4.50000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: ABS !\Ref: !MONKS PS NESBITT FL PAYNE WA SCANLON M STIEF LJ SHALLCROSS DE JPC 99 !\Comment: WARNING 
C2H3+H<=>C2H2+H2                                   8.78E13 0.0 0.0E0      !\Author: PW !\Ref: ! WARNING!\Comment: Decrease about 50% to improve flame speed of C2H2 
C2H3+H<=>H2CC+H2                                  +6.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: ABS !\Ref: USC ESTIMATE !\Comment: WARNING 
C2H3+OH<=>C2H3OH                                  +3.01100000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15 !\Comment: PRODUCT CHANGED BASED ON G.X.LIU, ET AL. CHEM. J. CHIN. UNIV. 23(2002) 1147-1150 
C2H3+CH3<=>C2H2+CH4                               +2.05000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: A. FAHR ET AL. J. PHYS. CHEM. 95(1991) 3218-3224 !\Comment: WARNING 
C2H3+C2H3<=>C2H2+C2H4                             +1.45000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: A. FAHR ET AL. J. PHYS. CHEM. 95(1991) 3218-3224 !\Comment: WARNING 
C2H3+HO2=>CH2CHO+OH                               +3.01100000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: W.TSANG, R.F.HAMPSON, J. PHYS. CHEM. REF. DATA, 15(1986) !\Comment: WARNING 
C2H3+O<=>CH2CHO                                   +1.03000000E+013 +2.00000000E-001 -4.27000000E+002 !\Author: UB !\Ref: L.B.HARDING, S.J.KLIPPENSTEIN, Y.GEORGIEVSHII, PROC.COMBUST.INST. 30(2005) 985-993 !\Comment: WARNING 
C2H3+O<=>C2H2+OH                                  +1.03000000E+012 +2.00000000E-001 -4.27000000E+002 !\Author: UB !\Ref: L.B.HARDING, S.J.KLIPPENSTEIN, Y.GEORGIEVSHII, PROC.COMBUST.INST. 30(2005) 985-993 !\Comment: WARNING 
C2H3+HCO<=>C2H4+CO                                +9.03300000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15 !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: C2H3
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: C2H3OOH
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C2H3OOH<=>CH2CHO+OH                               +2.22000000E+017 -4.20000000E-001 +4.46220000E+004 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
PLOG /                           +1.00000000E+000 +2.00000000E+035 -6.70000000E+000 +4.74500000E+004 /
PLOG /                           +1.00000000E+001 +1.12000000E+028 -4.15000000E+000 +4.61900000E+004 /
PLOG /                           +5.00000000E+001 +2.80000000E+026 -3.50000000E+000 +4.63400000E+004 /
PLOG /                           +1.00000000E+002 +2.22000000E+017 -4.20000000E-001 +4.46220000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C2H3OOH+H<=>C2H3OO+H2                             +4.30000000E+010 +0.00000000E+000 +1.86000000E+003 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
C2H3OOH+H<=>CH2CHO+H2O                            +1.20000000E+010 +0.00000000E+000 +1.86000000E+003 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
C2H3OOH+O<=>C2H3OO+OH                             +8.70000000E+012 +0.00000000E+000 +4.75000000E+003 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
C2H3OOH+OH<=>C2H3OO+H2O                           +1.10000000E+012 +0.00000000E+000 -4.37000000E+002 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
C2H3OOH+HO2<=>C2H3OO+H2O2                         +4.10000000E+004 +2.50000000E+000 +1.02060000E+004 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONMISC
!___________________________________________________________________________________________________________ 
C2H3OO+H<=>CH2CHO+OH                              +9.60000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
C2H3OO+O<=>CH2CHO+O2                              +1.60000000E+013 +0.00000000E+000 -1.45000000E+002 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
C2H3OO+OH<=>C2H3OH+O2                             +2.00000000E+015 -6.00000000E-001 +0.00000000E+000 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
C2H3OO+OH<=>CH2CHO+HO2                            +4.00000000E+011 +6.00000000E-001 +0.00000000E+000 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
C2H3OOH+O2=C2H3OO+HO2                             +9.00000000E+013 +0.00000000E+000 +4.04000000E+004 !\Author: SP !GK_RATE_ESTIAMTES BASED ON SWW ANALYSIS.. GK ! ! !\Ref: WARNING !\Comment: WARNING 
C2H3OO+CO<=>CH2CHO+CO2                            +1.60000000E+005 +2.18000000E+000 +1.79400000E+004 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
C2H3OO+CH3<=>CH2CHO+CH3O                          +5.10000000E+012 +0.00000000E+000 -1.41100000E+003 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
C2H3OO+CH4<=>C2H3OOH+CH3                          +4.70000000E+004 +2.50000000E+000 +2.10000000E+004 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
C2H3OO+CH3OH<=>C2H3OOH+CH2OH                      +4.00000000E+013 +0.00000000E+000 +1.94000000E+004 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
C2H3OO+CH2O<=>C2H3OOH+HCO                         +4.10000000E+004 +2.50000000E+000 +1.02060000E+004 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
C2H3OO+C2H6<=>C2H3OOH+C2H5                        +8.60000000E+000 +3.76000000E+000 +1.72000000E+004 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: C2H3OOH
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: CHCHO
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONMISC
!___________________________________________________________________________________________________________ 
CHCHO+H<=>CH2CO+H                                 +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
CHCHO+O2=>CO2+H+HCO                               +4.80000000E+003 +2.88200000E+000 -1.62167200E+003 !\Author: SP !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: BR INCREASED 
CHCHO+O2<=>CHOCHO+O                               +1.02000000E+006 +2.42000000E+000 +1.60668600E+003 !\Author: SP !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: CHCHO
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: CHOCHO
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CHOCHO<=>CH2O+CO                                  +5.50000000E+056 -1.26000000E+001 +7.99640000E+004 !\Author: UB !\Ref: G. FRIEDRICHS ET AL. PHYS. CHEM. CHEM. PHYS. 10(2008) 6520-6533 !\Comment: WARNING 
PLOG /                           +9.86900000E-003 +4.20000000E+053 -1.25000000E+001 +7.08450000E+004 /
PLOG /                           +4.93500000E-002 +5.10000000E+054 -1.26000000E+001 +7.30120000E+004 /
PLOG /                           +9.86900000E-002 +1.00000000E+055 -1.26000000E+001 +7.38770000E+004 /
PLOG /                           +4.93500000E-001 +4.50000000E+055 -1.26000000E+001 +7.58690000E+004 /
PLOG /                           +9.86900000E-001 +8.00000000E+055 -1.26000000E+001 +7.67130000E+004 /
PLOG /                           +4.93500000E+000 +1.10000000E+056 -1.22000000E+001 +7.76430000E+004 /
PLOG /                           +9.86900000E+000 +5.50000000E+056 -1.26000000E+001 +7.99640000E+004 /
CHOCHO<=>HCOH+CO                                  +5.70000000E+059 -1.33000000E+001 +8.35390000E+004 !\Author: UB !\Ref: G. FRIEDRICHS ET AL. PHYS. CHEM. CHEM. PHYS. 10(2008) 6520-6533 !\Comment: WARNING 
PLOG /                           +9.86900000E-003 +8.40000000E+052 -1.26000000E+001 +7.23930000E+004 /
PLOG /                           +4.93500000E-002 +8.30000000E+054 -1.29000000E+001 +7.51130000E+004 /
PLOG /                           +9.86900000E-002 +4.40000000E+055 -1.30000000E+001 +7.62570000E+004 /
PLOG /                           +4.93500000E-001 +1.30000000E+057 -1.32000000E+001 +7.88510000E+004 /
PLOG /                           +9.86900000E-001 +2.60000000E+057 -1.32000000E+001 +7.97540000E+004 /
PLOG /                           +4.93500000E+000 +1.00000000E+057 -1.29000000E+001 +8.11610000E+004 /
PLOG /                           +9.86900000E+000 +5.70000000E+059 -1.33000000E+001 +8.35390000E+004 /
CHOCHO=>CO+CO+H2                                  +3.40000000E+059 -1.33000000E+001 +8.42940000E+004 !\Author: UB !\Ref: G. FRIEDRICHS ET AL. PHYS. CHEM. CHEM. PHYS. 10(2008) 6520-6533 !\Comment: WARNING 
PLOG /                           +9.86900000E-003 +6.00000000E+051 -1.21000000E+001 +7.18540000E+004 /
PLOG /                           +4.93500000E-002 +1.40000000E+054 -1.25000000E+001 +7.47510000E+004 /
PLOG /                           +9.86900000E-002 +1.80000000E+055 -1.27000000E+001 +7.61370000E+004 /
PLOG /                           +4.93500000E-001 +1.30000000E+057 -1.30000000E+001 +7.89720000E+004 /
PLOG /                           +9.86900000E-001 +6.10000000E+057 -1.31000000E+001 +8.01470000E+004 /
PLOG /                           +4.93500000E+000 +5.80000000E+057 -1.29000000E+001 +8.18710000E+004 /
PLOG /                           +9.86900000E+000 +3.40000000E+059 -1.33000000E+001 +8.42940000E+004 /
CHOCHO<=>HCO+HCO                                  +3.00000000E+060 -1.33000000E+001 +8.89930000E+004 !\Author: UB !\Ref: G. FRIEDRICHS ET AL. PHYS. CHEM. CHEM. PHYS. 10(2008) 6520-6533 !\Comment: WARNING 
PLOG /                           +9.86900000E-003 +1.00000000E+042 -9.70000000E+000 +7.35340000E+004 /
PLOG /                           +4.93500000E-002 +6.00000000E+048 -1.11000000E+001 +7.74620000E+004 /
PLOG /                           +9.86900000E-002 +1.70000000E+051 -1.16000000E+001 +7.91110000E+004 /
PLOG /                           +4.93500000E-001 +5.30000000E+055 -1.25000000E+001 +8.27740000E+004 /
PLOG /                           +9.86900000E-001 +1.90000000E+057 -1.28000000E+001 +8.43210000E+004 /
PLOG /                           +4.93500000E+000 +2.20000000E+059 -1.31000000E+001 +8.72580000E+004 /
PLOG /                           +9.86900000E+000 +3.00000000E+060 -1.33000000E+001 +8.89930000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTIONLUMPED
!___________________________________________________________________________________________________________ 
CHOCHO+OH=>HCO+CO+H2O                             +6.13299000E+004 +2.65000000E+000 -4.58640000E+003 !\Author: WARNING !\Ref: J. MENDES, C-W ZHOU, AND H. J. CURRAN. JPCA, 2014, 118, 12089-12104. !\Comment: WARNING 
CHOCHO+O=>HCO+CO+OH                               +5.94000000E+012 +0.00000000E+000 +1.86800000E+003 !\Author: UB !\Ref: ANALOGY TO CH3CHO+O<=>CH3CO+OH !\Comment: WARNING 
CHOCHO+HO2=>HCO+CO+H2O2                           +1.70000000E+013 +0.00000000E+000 +1.62900000E+004 !\Author: SP\REF !\Ref: WARNING !\Comment: WARNING 
CHOCHO+HO2=>HOCHO+CO+OH                           +3.30000000E-004 +3.99500000E+000 +3.00000000E+002 !\Author: UB !\Ref: G. DA SILVA J. PHYS. CHEM. A, 115(2011) 191-197 !\Comment: WARNING 
CHOCHO+O2=>HCO+CO+HO2                             +3.01000000E+013 +0.00000000E+000 +3.91500000E+004 !\Author: UB !\Ref: ANALOGY TO CH3CHO+O2<=>CH3CO+HO2 !\Comment: WARNING 
CHOCHO+H<=>CH2O+HCO                               +5.40000000E+013 +0.00000000E+000 +4.30000000E+003 !\Author: UB !\Ref: M. COLBERG, G. FRIEDRICHS, J. PHYS. CHEM. A, 110(2006) 160-170 !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: CHOCHO
!===========================================================================================================
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C2H4
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C2H2
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONO2
!___________________________________________________________________________________________________________ 
C2H2+O2<=>HCO+HCO                                 +6.10000000E+012 +0.00000000E+000 +5.32500000E+004 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
DUP
C2H2+O2<=>HCO+HCO                                 +1.70000000E+007 +1.67000000E+000 +7.09600000E+004 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
DUP
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C2H+H2<=>H+C2H2                                   +4.10000000E+005 +2.39000000E+000 +8.64000000E+002 !\Author: UB !\Ref: L.B. HARDING ET AL. J. CHEM. PHYS. 76, 10(1982) 5172 !\Comment: WARNING 
C2H2+OH<=>C2H+H2O                                 +2.63200000E+006 +2.14000000E+000 +1.70600000E+004 !\Author: WARNING !\Ref: SJK J. PHYS. CHEM A 2005, 109, 6045-6055 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C2H+H(+M)<=>C2H2(+M)                              +2.25000000E+013 +3.20000000E-001 +0.00000000E+000 !\Author: UB !\Ref: L.B.HARDING, Y.GEORGIEVSKII, S.J.KLIPPENSTEIN, J.PHYS.CHEM.A. 109(2005) 4646-4656 !\Comment: WARNING 
LOW /                                             +3.75000000E+033 -4.80000000E+000 +1.90000000E+003 /
TROE /                           +6.46000000E-001 +1.32000000E+002 +1.31500000E+003 +5.56600000E+003 /
HE / +0.7000 / AR / +0.7000 / CO / +1.5000 / CO2 / +2.0000 / CH4 / +2.0000 / H2 / +2.0000 / C2H6 / +3.0000 / H2O / +6.0000 / 
C2H2(+M)<=>H2CC(+M)                               +8.00000000E+014 -5.20000000E-001 +5.07500000E+004 !\Author: WARNING !\Ref: 99 LAS / WA !\Comment: WARNING 
LOW /                                             +2.45000000E+015 -6.40000000E-001 +4.97000000E+004 /
CO / +1.5000 / CO2 / +2.0000 / CH4 / +2.0000 / H2 / +2.0000 / C2H4 / +2.5000 / C2H2 / +2.5000 / C2H6 / +3.0000 / H2O / +6.0000 / 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONHCO
!___________________________________________________________________________________________________________ 
C2H2+HCO<=>C2H3+CO                                +1.00000000E+007 +2.00000000E+000 +6.00000000E+003 !\Author: WARNING !\Ref: GRI 3.0 AND USC II !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONCH3O2
!___________________________________________________________________________________________________________ 
C2H2+CH3O2<=>CH2O+CH2CHO                          +4.45800000E-003 +4.30100000E+000 +9.04302000E+003 !\Author: UB !\Ref: K EST. BASED ON TOTAL K FOR C2H2+HO2, P'S BASED ON ADD-ISOM-BETA-S !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONOH
!___________________________________________________________________________________________________________ 
C2H2+OH<=>HCCOH+H                                 +7.34700000E+006 +1.89000000E+000 +1.36000000E+004 !\Author: WARNING !\Ref: SJK J. PHYS. CHEM A 2005, 109, 6045-6055 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.80000000E+005 +2.28000000E+000 +1.24200000E+004 /
PLOG /                           +2.50000000E-002 +7.46700000E+005 +2.16000000E+000 +1.25500000E+004 /
PLOG /                           +1.00000000E-001 +1.77600000E+006 +2.04000000E+000 +1.26700000E+004 /
PLOG /                           +1.00000000E+000 +2.41500000E+006 +2.00000000E+000 +1.27100000E+004 /
PLOG /                           +1.00000000E+001 +3.21000000E+006 +1.97000000E+000 +1.28100000E+004 /
PLOG /                           +1.00000000E+002 +7.34700000E+006 +1.89000000E+000 +1.36000000E+004 /
C2H2+OH<=>CH2CO+H                                 +1.45700000E+004 +2.45000000E+000 +4.47700000E+003 !\Author: WARNING !\Ref: SJK J. PHYS. CHEM A 2005, 109, 6045-6055 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.57800000E+003 +2.56000000E+000 -8.44500000E+002 /
PLOG /                           +2.50000000E-002 +1.51800000E+004 +2.28000000E+000 -2.92100000E+002 /
PLOG /                           +1.00000000E-001 +3.01700000E+005 +1.92000000E+000 +5.98100000E+002 /
PLOG /                           +1.00000000E+000 +7.52800000E+006 +1.55000000E+000 +2.10600000E+003 /
PLOG /                           +1.00000000E+001 +5.10100000E+006 +1.65000000E+000 +3.40000000E+003 /
PLOG /                           +1.00000000E+002 +1.45700000E+004 +2.45000000E+000 +4.47700000E+003 /
C2H2+OH<=>CH3+CO                                  +8.25000000E+005 +1.77000000E+000 +4.69700000E+003 !\Author: WARNING !\Ref: SJK J. PHYS. CHEM A 2005, 109, 6045-6055 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.75700000E+005 +1.68000000E+000 -3.29800000E+002 /
PLOG /                           +2.50000000E-002 +4.37200000E+006 +1.40000000E+000 +2.26500000E+002 /
PLOG /                           +1.00000000E-001 +7.64800000E+007 +1.05000000E+000 +1.11500000E+003 /
PLOG /                           +1.00000000E+000 +1.27700000E+009 +7.30000000E-001 +2.57900000E+003 /
PLOG /                           +1.00000000E+001 +4.31200000E+008 +9.20000000E-001 +3.73600000E+003 /
PLOG /                           +1.00000000E+002 +8.25000000E+005 +1.77000000E+000 +4.69700000E+003 /
C2H2+OH<=>C2H2OH                                  +6.20000000E+020 -2.80000000E+000 +2.83100000E+003 !\Author: WARNING !\Ref: SJK J. PHYS. CHEM A 2005, 109, 6045-6055 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.90000000E+064 -1.85700000E+001 +1.00090000E+004 /
PLOG /                           +1.00000000E-002 +2.60000000E+033 -7.36000000E+000 +6.39200000E+003 /
PLOG /                           +2.50000000E-002 +4.70000000E+059 -1.68700000E+001 +9.08700000E+003 /
PLOG /                           +2.50000000E-002 +4.40000000E+032 -7.02000000E+000 +5.93300000E+003 /
PLOG /                           +1.00000000E-001 +1.20000000E+028 -5.56000000E+000 +3.72400000E+003 /
PLOG /                           +1.00000000E-001 +6.40000000E+042 -9.96000000E+000 +1.17370000E+004 /
PLOG /                           +1.00000000E+000 +1.90000000E+044 -1.13800000E+001 +6.29900000E+003 /
PLOG /                           +1.00000000E+000 +3.50000000E+031 -6.20000000E+000 +6.63500000E+003 /
PLOG /                           +1.00000000E+001 +1.50000000E+024 -4.06000000E+000 +3.26100000E+003 /
PLOG /                           +1.00000000E+001 +4.50000000E+031 -5.92000000E+000 +8.76100000E+003 /
PLOG /                           +1.00000000E+002 +6.20000000E+020 -2.80000000E+000 +2.83100000E+003 /
PLOG /                           +1.00000000E+002 +1.60000000E+029 -4.91000000E+000 +9.73400000E+003 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONO
!___________________________________________________________________________________________________________ 
C2H2+O<=>CH2+CO                                   +7.39500000E+008 +1.28000000E+000 +2.47200000E+003 !\Author: SP !\Ref: NGUYEN ET AL. J.PHYS.CHEM A 2006, 110, 6696-6706 !\Comment: WARNING 
C2H2+O<=>HCCO+H                                   +2.95800000E+009 +1.28000000E+000 +2.47200000E+003 !\Author: SP !\Ref: NGUYEN ET AL. J.PHYS.CHEM A 2006, 110, 6696-6706 !\Comment: WARNING 
C2H2+O<=>CHCHO                                    +3.80000000E+044 -9.63000000E+000 +3.76000000E+004 !\Author: UB !\Ref: DAVIS AND LAW J. PHYS. CHEM. A 1999, 103, 5889-589 !\Comment: ANALOGY TO THE DECOMPOSITION OF ALLYL RADICAL 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONHO2
!___________________________________________________________________________________________________________ 
!\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING
C2H2+HO2=CHCHO+OH    8.96E10 0.48 1.77E4
PLOG/1.0E-2	3.38E+09	9.10E-01	1.85E4/
PLOG/1.0E-2	1.48E+07	1.54E+00	1.47E4/
PLOG/1.0E-1	3.65E+09	9.00E-01	1.86E4/
PLOG/1.0E-1	1.53E+07	1.54E+00	1.47E4/
PLOG/3.16E-1	4.18E+09	8.80E-01	1.86E4/
PLOG/3.16E-1	1.62E+07	1.54E+00	1.47E4/
PLOG/1.0E0	9.60E+09	7.70E-01	1.9E4/
PLOG/1.0E0	1.54E+07	1.56E+00	1.48E4/
PLOG/3.16E0	2.14E+09	9.90E-01	1.88E4/
PLOG/3.16E0	9.04E+07	1.32E+00	1.51E4/
PLOG/1.0E1	3.32E+10	6.10E-01	2.07E4/
PLOG/1.0E1	9.92E+07	1.36E+00	1.54E4/
PLOG/3.16E1	2.28E+08	1.23E+00	1.6E4/
PLOG/3.16E1	1.02E+07	1.59E+00	1.59E4/
PLOG/1.0E2	8.96E+10	4.80E-01	1.77E4/
PLOG/1.0E2 4.44E6 1.73E0 1.6E4/
C2H2+HO2<=>CH2CHO+O                               +5.78000000E+018 -2.09000000E+000 +2.43500000E+004 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.50000000E+006 +1.19000000E+000 +1.28800000E+004 /
PLOG /                           +1.00000000E-002 +2.94000000E-004 +4.16000000E+000 +7.73600000E+003 /
PLOG /                           +1.00000000E-001 +1.16000000E+008 +7.70000000E-001 +1.36000000E+004 /
PLOG /                           +1.00000000E-001 +6.14000000E-003 +3.81000000E+000 +8.39400000E+003 /
PLOG /                           +3.16000000E-001 +1.20000000E+007 +1.09000000E+000 +1.30500000E+004 /
PLOG /                           +3.16000000E-001 +5.44000000E-004 +4.09000000E+000 +8.04400000E+003 /
PLOG /                           +1.00000000E+000 +3.02000000E+007 +9.80000000E-001 +1.33100000E+004 /
PLOG /                           +1.00000000E+000 +2.48000000E-004 +4.19000000E+000 +8.20300000E+003 /
PLOG /                           +3.16000000E+000 +1.98000000E+074 -1.63300000E+001 +1.09200000E+005 /
PLOG /                           +3.16000000E+000 +6.57000000E+004 +1.85000000E+000 +1.23600000E+004 /
PLOG /                           +1.00000000E+001 +7.50000000E+014 -1.17000000E+000 +1.83500000E+004 /
PLOG /                           +1.00000000E+001 +2.92000000E-001 +3.38000000E+000 +1.05900000E+004 /
PLOG /                           +3.16000000E+001 +8.63000000E+018 -2.27000000E+000 +2.22300000E+004 /
PLOG /                           +3.16000000E+001 +1.95000000E+000 +3.17000000E+000 +1.17400000E+004 /
PLOG /                           +1.00000000E+002 +5.78000000E+018 -2.09000000E+000 +2.43500000E+004 /
PLOG /                           +1.00000000E+002 +1.10000000E-001 +3.52000000E+000 +1.19800000E+004 /
C2H2+HO2<=>CHOCHO+H                               +5.91000000E+021 -3.32000000E+000 +2.50300000E+004 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.51000000E+007 +4.80000000E-001 +1.17200000E+004 /
PLOG /                           +1.00000000E-002 +2.43000000E-006 +4.43000000E+000 +5.57800000E+003 /
PLOG /                           +1.00000000E-001 +7.43000000E+007 +5.00000000E-001 +1.16900000E+004 /
PLOG /                           +1.00000000E-001 +2.00000000E-006 +4.45000000E+000 +5.56400000E+003 /
PLOG /                           +3.16000000E-001 +7.91000000E+007 +4.90000000E-001 +1.17000000E+004 /
PLOG /                           +3.16000000E-001 +1.81000000E-006 +4.46000000E+000 +5.65400000E+003 /
PLOG /                           +1.00000000E+000 +2.18000000E+009 +6.00000000E-002 +1.24700000E+004 /
PLOG /                           +1.00000000E+000 +2.24000000E-005 +4.17000000E+000 +6.41600000E+003 /
PLOG /                           +3.16000000E+000 +7.00000000E+049 -1.01800000E+001 +7.71100000E+004 /
PLOG /                           +3.16000000E+000 +7.65000000E+005 +1.18000000E+000 +1.13400000E+004 /
PLOG /                           +1.00000000E+001 +4.06000000E+016 -2.03000000E+000 +1.76300000E+004 /
PLOG /                           +1.00000000E+001 +2.01000000E-002 +3.38000000E+000 +8.69600000E+003 /
PLOG /                           +3.16000000E+001 +9.38000000E+016 -2.03000000E+000 +1.95900000E+004 /
PLOG /                           +3.16000000E+001 +6.06000000E-003 +3.53000000E+000 +9.21700000E+003 /
PLOG /                           +1.00000000E+002 +5.91000000E+021 -3.32000000E+000 +2.50300000E+004 /
PLOG /                           +1.00000000E+002 +6.76000000E-002 +3.27000000E+000 +1.07600000E+004 /
C2H2+HO2<=>CH2CO+OH                               +3.58000000E+003 +1.97000000E+000 +2.30100000E+004 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.25000000E-007 +4.75000000E+000 +1.55300000E+004 /
PLOG /                           +1.00000000E-002 +1.31000000E-014 +6.58000000E+000 +1.02700000E+004 /
PLOG /                           +1.00000000E-001 +6.70000000E-007 +4.74000000E+000 +1.55500000E+004 /
PLOG /                           +1.00000000E-001 +1.29000000E-014 +6.59000000E+000 +1.03300000E+004 /
PLOG /                           +3.16000000E-001 +4.18000000E-007 +4.81000000E+000 +1.54100000E+004 /
PLOG /                           +3.16000000E-001 +3.99000000E-014 +6.36000000E+000 +1.02700000E+004 /
PLOG /                           +1.00000000E+000 +5.28000000E-007 +4.78000000E+000 +1.54600000E+004 /
PLOG /                           +1.00000000E+000 +3.28000000E-015 +6.70000000E+000 +1.00900000E+004 /
PLOG /                           +3.16000000E+000 +1.04000000E-006 +4.69000000E+000 +1.56400000E+004 /
PLOG /                           +3.16000000E+000 +8.71000000E-021 +8.30000000E+000 +8.10700000E+003 /
PLOG /                           +1.00000000E+001 +4.68000000E-005 +4.22000000E+000 +1.67800000E+004 /
PLOG /                           +1.00000000E+001 +8.36000000E-022 +8.76000000E+000 +8.80400000E+003 /
PLOG /                           +3.16000000E+001 +8.99000000E-001 +2.97000000E+000 +1.97300000E+004 /
PLOG /                           +3.16000000E+001 +6.87000000E-014 +6.67000000E+000 +1.31300000E+004 /
PLOG /                           +1.00000000E+002 +3.58000000E+003 +1.97000000E+000 +2.30100000E+004 /
PLOG /                           +1.00000000E+002 +6.63000000E-012 +6.15000000E+000 +1.47300000E+004 /
C2H2+HO2<=>CH2O+HCO                               +2.47000000E+016 -1.70000000E+000 +2.00300000E+004 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.90000000E+013 -1.17000000E+000 +1.37500000E+004 /
PLOG /                           +1.00000000E-002 +8.43000000E+000 +2.56000000E+000 +7.38200000E+003 /
PLOG /                           +1.00000000E-001 +4.26000000E+000 +2.64000000E+000 +7.25300000E+003 /
PLOG /                           +1.00000000E-001 +1.56000000E+013 -1.05000000E+000 +1.35200000E+004 /
PLOG /                           +3.16000000E-001 +2.59000000E-006 +4.34000000E+000 +4.52500000E+003 /
PLOG /                           +3.16000000E-001 +6.90000000E+009 -0.00000000E+000 +1.17200000E+004 /
PLOG /                           +1.00000000E+000 +3.33000000E+102 -2.41800000E+001 +1.38600000E+005 /
PLOG /                           +1.00000000E+000 +8.07000000E+007 +6.00000000E-001 +1.08500000E+004 /
PLOG /                           +3.16000000E+000 +5.22000000E+015 -1.75000000E+000 +1.51800000E+004 /
PLOG /                           +3.16000000E+000 +3.54000000E+000 +2.69000000E+000 +8.02500000E+003 /
PLOG /                           +1.00000000E+001 +7.32000000E+035 -7.77000000E+000 +2.69700000E+004 /
PLOG /                           +1.00000000E+001 +9.84000000E+006 +9.10000000E-001 +1.17100000E+004 /
PLOG /                           +3.16000000E+001 +1.78000000E+028 -5.30000000E+000 +2.51300000E+004 /
PLOG /                           +3.16000000E+001 +1.79000000E+004 +1.70000000E+000 +1.12500000E+004 /
PLOG /                           +1.00000000E+002 +2.47000000E+016 -1.70000000E+000 +2.00300000E+004 /
PLOG /                           +1.00000000E+002 +4.32000000E-006 +4.31000000E+000 +6.82900000E+003 /
C2H2+HO2=>CH2O+H+CO                               +5.77000000E+016 -1.70000000E+000 +2.00300000E+004 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +9.10000000E+013 -1.17000000E+000 +1.37500000E+004 /
PLOG /                           +1.00000000E-002 +1.97000000E+001 +2.56000000E+000 +7.38200000E+003 /
PLOG /                           +1.00000000E-001 +9.94000000E+000 +2.64000000E+000 +7.25300000E+003 /
PLOG /                           +1.00000000E-001 +3.63000000E+013 -1.05000000E+000 +1.35200000E+004 /
PLOG /                           +3.16000000E-001 +6.05000000E-006 +4.34000000E+000 +4.52500000E+003 /
PLOG /                           +3.16000000E-001 +1.61000000E+010 -0.00000000E+000 +1.17200000E+004 /
PLOG /                           +1.00000000E+000 +7.77000000E+102 -2.41800000E+001 +1.38600000E+005 /
PLOG /                           +1.00000000E+000 +1.88000000E+008 +6.00000000E-001 +1.08500000E+004 /
PLOG /                           +3.16000000E+000 +1.22000000E+016 -1.75000000E+000 +1.51800000E+004 /
PLOG /                           +3.16000000E+000 +8.26000000E+000 +2.69000000E+000 +8.02500000E+003 /
PLOG /                           +1.00000000E+001 +1.71000000E+036 -7.77000000E+000 +2.69700000E+004 /
PLOG /                           +1.00000000E+001 +2.30000000E+007 +9.10000000E-001 +1.17100000E+004 /
PLOG /                           +3.16000000E+001 +4.14000000E+028 -5.30000000E+000 +2.51300000E+004 /
PLOG /                           +3.16000000E+001 +4.19000000E+004 +1.70000000E+000 +1.12500000E+004 /
PLOG /                           +1.00000000E+002 +5.77000000E+016 -1.70000000E+000 +2.00300000E+004 /
PLOG /                           +1.00000000E+002 +1.01000000E-005 +4.31000000E+000 +6.82900000E+003 /
C2H2+HO2<=>CO+CH3O                                +1.17000000E+018 -2.57000000E+000 +2.23600000E+004 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.54000000E+011 +0.00000000E+000 +4.95100000E+004 /
PLOG /                           +1.00000000E-002 +2.89000000E+004 +1.23000000E+000 +9.90300000E+003 /
PLOG /                           +1.00000000E-001 +2.78000000E+008 +1.00000000E-002 +1.19200000E+004 /
PLOG /                           +1.00000000E-001 +9.67000000E-007 +4.15000000E+000 +5.17300000E+003 /
PLOG /                           +3.16000000E-001 +8.06000000E+007 +1.80000000E-001 +1.16500000E+004 /
PLOG /                           +3.16000000E-001 +1.84000000E-008 +4.62000000E+000 +4.51700000E+003 /
PLOG /                           +1.00000000E+000 +8.94000000E+069 -1.58500000E+001 +1.02500000E+005 /
PLOG /                           +1.00000000E+000 +5.38000000E+005 +8.60000000E-001 +1.07000000E+004 /
PLOG /                           +3.16000000E+000 +5.66000000E+012 -1.25000000E+000 +1.45700000E+004 /
PLOG /                           +3.16000000E+000 +5.37000000E-004 +3.42000000E+000 +7.21800000E+003 /
PLOG /                           +1.00000000E+001 +3.30000000E+023 -4.45000000E+000 +2.12100000E+004 /
PLOG /                           +3.16000000E+001 +2.43000000E+022 -3.96000000E+000 +2.26500000E+004 /
PLOG /                           +3.16000000E+001 +8.11000000E+000 +2.30000000E+000 +1.05600000E+004 /
PLOG /                           +1.00000000E+002 +1.17000000E+018 -2.57000000E+000 +2.23600000E+004 /
PLOG /                           +1.00000000E+002 +6.86000000E-004 +3.42000000E+000 +9.32900000E+003 /
C2H2+HO2<=>CO2+CH3                                +1.71000000E+015 -1.80000000E+000 +2.03700000E+004 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.15000000E-007 +4.31000000E+000 +4.61400000E+003 /
PLOG /                           +1.00000000E-002 +2.01000000E+008 +0.00000000E+000 +1.17900000E+004 /
PLOG /                           +1.00000000E-001 +1.10000000E-007 +4.32000000E+000 +4.62200000E+003 /
PLOG /                           +1.00000000E-001 +2.01000000E+008 +0.00000000E+000 +1.17800000E+004 /
PLOG /                           +3.16000000E-001 +1.75000000E+142 -3.50400000E+001 +1.88700000E+005 /
PLOG /                           +3.16000000E-001 +1.55000000E+005 +9.50000000E-001 +1.02000000E+004 /
PLOG /                           +1.00000000E+000 +3.96000000E+084 -1.98000000E+001 +1.19800000E+005 /
PLOG /                           +1.00000000E+000 +1.38000000E+006 +6.80000000E-001 +1.08100000E+004 /
PLOG /                           +3.16000000E+000 +5.02000000E+013 -1.60000000E+000 +1.49800000E+004 /
PLOG /                           +3.16000000E+000 +9.29000000E-003 +3.00000000E+000 +7.65900000E+003 /
PLOG /                           +1.00000000E+001 +8.56000000E+028 -6.15000000E+000 +2.40300000E+004 /
PLOG /                           +1.00000000E+001 +1.86000000E+004 +1.26000000E+000 +1.12300000E+004 /
PLOG /                           +3.16000000E+001 +1.28000000E+027 -5.42000000E+000 +2.53800000E+004 /
PLOG /                           +3.16000000E+001 +2.89000000E+002 +1.79000000E+000 +1.12400000E+004 /
PLOG /                           +1.00000000E+002 +1.71000000E+015 -1.80000000E+000 +2.03700000E+004 /
PLOG /                           +1.00000000E+002 +3.90000000E-007 +4.21000000E+000 +7.31400000E+003 /
C2H2+HO2<=>C2H3OO                                 +2.53000000E+035 -7.26000000E+000 +2.63900000E+004 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.99000000E+006 -1.02000000E+000 +9.15200000E+003 /
PLOG /                           +1.00000000E-002 +1.88000000E+026 -8.34000000E+000 +9.24900000E+003 /
PLOG /                           +1.00000000E-001 +6.02000000E+017 -3.82000000E+000 +1.07900000E+004 /
PLOG /                           +1.00000000E-001 +5.26000000E+129 -4.17400000E+001 +3.59300000E+004 /
PLOG /                           +3.16000000E-001 +2.47000000E+048 -1.28200000E+001 +2.52200000E+004 /
PLOG /                           +3.16000000E-001 +1.96000000E+018 -3.67000000E+000 +1.04800000E+004 /
PLOG /                           +1.00000000E+000 +4.06000000E+050 -1.30700000E+001 +2.72200000E+004 /
PLOG /                           +1.00000000E+000 +4.93000000E+021 -4.37000000E+000 +1.22200000E+004 /
PLOG /                           +3.16000000E+000 +9.08000000E+046 -1.15700000E+001 +2.68800000E+004 /
PLOG /                           +3.16000000E+000 +1.92000000E+022 -4.28000000E+000 +1.30800000E+004 /
PLOG /                           +1.00000000E+001 +4.60000000E+043 -1.02400000E+001 +2.69300000E+004 /
PLOG /                           +1.00000000E+001 +2.11000000E+021 -3.78000000E+000 +1.33800000E+004 /
PLOG /                           +3.16000000E+001 +5.61000000E+038 -8.49000000E+000 +2.62100000E+004 /
PLOG /                           +3.16000000E+001 +1.39000000E+020 -3.30000000E+000 +1.34100000E+004 /
PLOG /                           +1.00000000E+002 +2.53000000E+035 -7.26000000E+000 +2.63900000E+004 /
PLOG /                           +1.00000000E+002 +1.42000000E+019 -2.91000000E+000 +1.34200000E+004 /
!===========================================================================================================
!\SUBSPECIES: H2CC
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONMISC
!___________________________________________________________________________________________________________ 
H2CC+OH<=>CH2CO+H                                 +2.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: USC II !\Comment: WARNING 
H2CC+O2<=>HCO+HCO                                 +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: FROM USCII/A.LASKIN, H.WANG CHEM. PHYS. LETT. 30(1999) 43-49 !\Comment: WARNING 
H2CC+H<=>C2H2+H                                   +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: USC II !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: H2CC
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: C2H
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITION
!___________________________________________________________________________________________________________ 
C2H+O2<=>CO2+CHV                                  +2.17000000E+010 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: DEVRIENDT, VAN LOOK, CEURSTERS, AND PEETERS, CHEM PHYS LETT. 261(1996) 450, C2H+O2 !\Comment: WARNING 
C2H+O2=>CO+CO+H                                   +4.70000000E+013 -1.60000000E-001 +0.00000000E+000 !\Author: UB !\Ref: H. THIESEMANN, C.A. TAATJES, CHEM. PHYS. LETT. 270, 5-6(1997) 580-586 !\Comment: WARNING 
C2H+O<=>CO+CHV                                    +6.20000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: OHV KATHROTIA ET AL. COMB & FLAME 2010 !\Comment: WARNING 
C2H+O<=>CO+CH                                     +5.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: GRI3.0 !\Comment: WARNING 
C2+H2<=>C2H+H                                     +4.00000000E+005 +2.40000000E+000 +1.00000000E+003 !\Author: UB !\Ref: P. GLARBORG ET AL. COMBUST. FLAME, 115, 1(1998) 1-27 !\Comment: WARNING 
C2H+CH4<=>CH3+C2H2                                +7.20000000E+012 +0.00000000E+000 +9.76000000E+002 !\Author: UB !\Ref: B.J. OPANSKY ET AL. J. PHYS. CHEM., 100(1996) 4888-4892 !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: C2H
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: C2
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: MISC
!___________________________________________________________________________________________________________ 
C2+M<=>C+C+M                                      +1.50000000E+016 +0.00000000E+000 +1.42300000E+005 !\Author: UB !\Ref: T. KRUSE, P. ROTH, J. PHYS. CHEM. A, 101(1997) 2138-2146 !\Comment: WARNING 
C2+O<=>C+CO                                       +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
C2+OH<=>C2O+H                                     +5.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: P. GLARBORG ET AL. COMBUST. FLAME, 115, 1(1998) 1-27 !\Comment: WARNING 
C2+O2<=>CO+CO                                     +9.00000000E+012 +0.00000000E+000 +9.80000000E+002 !\Author: UB !\Ref: S.L. BAUGHUM, R.C. OLDENBORG, AMERICAN CHEM. SOC. SYMP. SER., 249, ED. T.M. SLOANE, WASHINGTON DC, 1984, 257-266 !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: C2
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: C2O
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: MISC
!___________________________________________________________________________________________________________ 
C2O+M=>C+CO+M                                     +2.00000000E+015 +0.00000000E+000 +4.42000000E+004 !\Author: UB !\Ref: G. FRIEDRICHS ET AL. Z. PHYS. CHEM. 203(1998) 1-14 !\Comment: WARNING 
C2O+H<=>CH+CO                                     +1.30000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: W. BAUER ET AL. BER. BUNSENGES. PHYS. CHEM. 89(1985) 340 !\Comment: WARNING 
C2O+O<=>CO+CO                                     +5.20000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: W. BAUER ET AL. BER. BUNSENGES. PHYS. CHEM. 89(1985) 340 !\Comment: WARNING 
C2O+OH=>CO+CO+H                                   +2.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
C2O+O2=>CO+CO+O                                   +1.00000000E+013 +0.00000000E+000 +2.60000000E+003 !\Author: UB !\Ref: K.H. BECKER ET AL. J. PHOTOCHEM. PHOTOBIOL. A, 64(1992) 1-14 !\Comment: D.G. WILLIAMSON K.D. BAYES JACS 89 
C2O+O2<=>CO+CO2                                   +1.00000000E+013 +0.00000000E+000 +2.60000000E+003 !\Author: UB !\Ref: K.H. BECKER ET AL. J. PHOTOCHEM. PHOTOBIOL. A, 64(1992) 1-14 !\Comment: D.G. WILLIAMSON K.D. BAYES JACS 89 
C2O+C<=>CO+C2                                     +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: G. FRIEDRICHS ET AL. Z. PHYS. CHEM. 203(1998) 1-14 !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: C2O
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: HCCOH
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONH
!___________________________________________________________________________________________________________ 
H+HCCOH<=>H2+HCCO                                 +3.00000000E+007 +2.00000000E+000 +1.00000000E+003 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONOH
!___________________________________________________________________________________________________________ 
OH+HCCOH<=>H2O+HCCO                               +1.00000000E+007 +2.00000000E+000 +1.00000000E+003 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: HCCOH
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: C2H2OH
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C2H2OH<=>HCCOH+H                                  +5.50000000E+029 -5.05700000E+000 +5.23770000E+004 !\Author: UB !\Ref: W.-C. ING ET AL. FUEL PROC. TECH. 83, 1-3(2003) 111-145 !\Comment: WARNING 
PLOG /                           +4.00000000E-002 +4.40000000E+029 -6.15300000E+000 +5.13830000E+004 /
PLOG /                           +1.00000000E+000 +1.10000000E+031 -6.15300000E+000 +5.13830000E+004 /
PLOG /                           +1.00000000E+001 +1.50000000E+032 -6.16800000E+000 +5.22390000E+004 /
PLOG /                           +1.00000000E+002 +5.50000000E+029 -5.05700000E+000 +5.23770000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONH
!___________________________________________________________________________________________________________ 
C2H2OH+H<=>CH2CHO+H                               +5.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: P. GLARBORG ET AL. COMBUST. FLAME, 115, 1(1998) 1-27 !\Comment: WARNING 
C2H2OH+H<=>HCCOH+H2                               +2.40881250E+013 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15 !\Comment: ESTIMATED BASED ON C2H3+H 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONOH
!___________________________________________________________________________________________________________ 
C2H2OH+OH<=>HCCOH+H2O                             +3.01100000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONO
!___________________________________________________________________________________________________________ 
C2H2OH+O<=>CHOCHO+H                               +5.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: P. GLARBORG ET AL. COMBUST. FLAME, 115, 1(1998) 1-27 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONO2
!___________________________________________________________________________________________________________ 
C2H2OH+O2=CHOCHO+OH                               +1.80000000E+012 +0.00000000E+000 -1.87000000E+002 !\Author: SP !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
C2H2OH+O2=HOCHO+HCO                               +1.27800000E+022 -2.87100000E+000 +8.25130000E+003 !\Author: SP !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
DUP
C2H2OH+O2=HOCHO+HCO                               +5.89500000E+015 -1.19500000E+000 +1.19050000E+003 !\Author: SP !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
DUP
C2H2OH+O2=>HOCHO+H+CO                              +1.43500000E+022 -2.52800000E+000 +2.03454000E+004 !\Author: SP !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONMISC
!___________________________________________________________________________________________________________ 
C2H2OH+CH2O<=>C2H3OH+HCO                          +5.40000000E+003 +2.81000000E+000 +5.86000000E+003 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
C2H2OH+HCO<=>C2H3OH+CO                            +9.03300000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15 !\Comment: BASE ON VINYL+RADICAL 
C2H2OH+CH3<=>HCCOH+CH4                            +2.05000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: A. FAHR ET AL. J. PHYS. CHEM. 95(1991) 3218-3224 !\Comment: BASE ON VINYL+RADICAL 
!===========================================================================================================
!\ENDSUBSPECIES: C2H2OH
!===========================================================================================================
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C2H2
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: CH3CHO
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CH3CHO(+M)<=>CH3+HCO(+M)                          +2.72000000E+022 -1.74000000E+000 +8.63550000E+004 !\Author: WARNING !\Ref: SIVARAMAKRISHNAN THE JOURNAL OF PHYSICAL CHEMISTRY A 28(2015) 7724-7733. !\Comment: WARNING 
LOW /                                             +1.14400000E+059 -1.13000000E+001 +9.59125000E+004 /
TROE /                           +1.83000000E-001 +4.62000000E+002 +1.67730000E+005 +1.58000000E+006 /
CH3CHO<=>CH4+CO                                   +1.63900000E+045 -9.10000000E+000 +9.27930000E+004 !\Author: WARNING !\Ref: SIVARAMAKRISHNAN THE JOURNAL OF PHYSICAL CHEMISTRY A 28(2015) 7724-7733. !\Comment: WARNING 
PLOG /                           +5.00000000E-002 +5.12400000E+045 -9.85000000E+000 +8.90180000E+004 /
PLOG /                           +1.00000000E-001 +1.43800000E+045 -9.65000000E+000 +8.79250000E+004 /
PLOG /                           +1.00000000E+000 +1.86700000E+045 -9.43000000E+000 +8.94150000E+004 /
PLOG /                           +1.00000000E+001 +1.63900000E+045 -9.10000000E+000 +9.27930000E+004 /
CH3CHO<=>CH2CO+H2                                 +2.21900000E+045 -9.55000000E+000 +9.48790000E+004 !\Author: WARNING !\Ref: SIVARAMAKRISHNAN THE JOURNAL OF PHYSICAL CHEMISTRY A 28(2015) 7724-7733. !\Comment: WARNING 
PLOG /                           +5.00000000E-002 +3.97900000E+044 -1.00700000E+001 +8.74280000E+004 /
PLOG /                           +1.00000000E-001 +7.38000000E+044 -1.00500000E+001 +8.84220000E+004 /
PLOG /                           +1.00000000E+000 +8.54400000E+044 -9.77000000E+000 +9.09050000E+004 /
PLOG /                           +1.00000000E+001 +2.21900000E+045 -9.55000000E+000 +9.48790000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
CH3CHO+O2<=>CH3CO+HO2                             +1.20000000E+005 +2.50000000E+000 +3.75600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH3CHO+O<=>CH3CO+OH                               +5.94000000E+012 +0.00000000E+000 +1.86800000E+003 !\Author: WARNING !\Ref: CURRAN, FIT TO NIST DATABASE !\Comment: WARNING 
CH3CHO+H=CH3CO+H2                                 +6.90000000E+005 +2.40000000E+000 +1.90500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH3CHO+H=CH2CHO+H2                                +1.05000000E+005 +2.50000000E+000 +8.04100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH3CHO+OH=CH3CO+H2O                               +2.80000000E+012 +0.00000000E+000 -7.09000000E+002 !\Author: SP !\Ref: S. WANG, D.F. DAVIDSON, R.K. HANSON, PROC. COMBUST. INST. 35(2015) 473-480. !\Comment: WARNING 
CH3CHO+OH<=>CH2CHO+H2O                            +8.50000000E+013 +0.00000000E+000 +5.31300000E+003 !\Author: SP !\Ref: S. WANG, D.F. DAVIDSON, R.K. HANSON, PROC. COMBUST. INST. 35(2015) 473-480. !\Comment: WARNING 
CH3CHO+HO2=CH3CO+H2O2                             +1.70000000E+013 +0.00000000E+000 +1.62930000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH3CHO+HO2=CH2CHO+H2O2                            +1.10000000E+013 +0.00000000E+000 +2.32480000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH3CHO+CH3<=>CH3CO+CH4                            +7.08000000E-004 +4.58000000E+000 +9.66000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH3CHO+CH3<=>CH2CHO+CH4                           +1.43700000E+000 +3.70000000E+000 +8.85700000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH3CHO+C2H3<=>CH3CO+C2H4                          +1.65000000E+001 +3.17000000E+000 +9.39980000E+003 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325? 3346 !\Comment: WARNING 
CH3CHO+CH3O2<=>CH3CO+CH3O2H                       +4.83000000E-001 +3.94000000E+000 +9.50000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
CH3CHO+CH3O2<=>CH3CO+CH3O2H                       +4.99000000E-006 +4.97560000E+000 +5.26820000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
CH3CHO+CH3O2<=>CH2CHO+CH3O2H                      +8.23000000E-003 +4.27590000E+000 +1.68170000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
CH3CHO+CH3O2<=>CH2CHO+CH3O2H                      +7.08000000E-009 +5.65710000E+000 +1.16990000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
CH3CHO+CH3CO3<=>CH2CHO+CH3CO3H                    +2.54000000E-003 +4.35740000E+000 +1.34260000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
CH3CHO+CH3CO3<=>CH2CHO+CH3CO3H                    +3.60000000E-011 +6.20000000E+000 +7.35080000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
CH3CHO+CH3CO3<=>CH3CO+CH3CO3H                     +1.91580000E+000 +3.64260000E+000 +5.64190000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
CH3CHO+CH3CO3<=>CH3CO+CH3CO3H                     +9.81000000E-004 +4.32010000E+000 +2.63610000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONOH
!___________________________________________________________________________________________________________ 
!DONG 211118, TEST!CH3CHO+OH<=>CH3+HOCHO                             +3.00000000E+015 -1.07600000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: TAYLOR ET AL. 1996 !\Comment: WARNING 

!!DONG 211119!CH3CHO+OH<=>CH3CHOHOJ                             +6.32000000E+006 +1.63000000E+000 +4.28400000E+003 !CH2O+OH<=>HOCH2O \Author: KPS !\Ref: DAMES, CNF, 2016 !\Comment: ORIGINALLY FROM XU /ZHU2006 
CH3CHO+OH<=>CH3CHOHOJ                             +1.26400000E+007 +1.63000000E+000 +4.28400000E+003 !A*2.0, CH2O+OH<=>HOCH2O \Author: KPS !\Ref: DAMES, CNF, 2016 !\Comment: ORIGINALLY FROM XU /ZHU2006 
CH3CHOHOJ<=>CH3COOH+H                             +1.03200000E+017 -1.48000000E+000 +1.24800000E+004 !HOCH2O<=>HOCHO+H \Author: KPS !\Ref: DAMES, CNF, 2016 !\Comment: WARNING 
CH3CHOHOJ(+M)<=>CH3+HOCHO(+M)                             +6.30000000E+010 +9.30000000E-001 +1.70980000E+004 !C2H5O(+M)<=>CH3+CH2O(+M)\Author: SD !\Ref: E.E. DAMES, INT. J. CHEM. KINET. 46(2014) 176-188 !\Comment: WARNING 
LOW /                                             +4.70000000E+025 -3.00000000E+000 +1.65320000E+004 /
TROE /                           +4.26000000E-001 +3.00000000E-001 +2.27800000E+003 +1.00000000E+005 /

!===========================================================================================================
!\SUBSPECIES: CH3CO
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ALPHA_SCISSION
!___________________________________________________________________________________________________________ 
CH3CO(+M)<=>CH3+CO(+M)                            +1.07000000E+012 +6.30000000E-001 +1.69000000E+004 !\Author: WARNING !\Ref: J. PHYS. CHEM. A 2006, 110, 5772-5781 !\Comment: WARNING 
LOW /                                             +5.65000000E+018 -9.70000000E-001 +1.46000000E+004 /
TROE /                           +6.29000000E-001 +8.73000000E+009 +5.52000000E+000 +7.60000000E+007 /
CH2CO+H=CH3CO                                     +2.30000000E+008 +1.61000000E+000 +2.62700000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>RH_RH
!___________________________________________________________________________________________________________ 
CH3CO+H<=>CH2CO+H2                                +2.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
CH3CO+O<=>CH2CO+OH                                +2.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
CH3CO+CH3<=>CH2CO+CH4                             +5.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CH2CO2=CH2(S)+CO2                                 +1.24000000E+011 -8.50000000E-001 +1.65630000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!H2COCO#<=>CH2O+CO                                 +1.21000000E+012 +0.00000000E+000 +3.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH3CHO+CH3O<=>CH3CO+CH3OH                         +1.69000000E+005 +2.04380000E+000 +2.35320000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
CH3CHO+CH3O<=>CH3CO+CH3OH                         +9.62000000E+003 +2.50050000E+000 +1.58950000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
CH3CHO+CH3O<=>CH2CHO+CH3OH                        +2.65020000E+001 +3.45190000E+000 +5.87330000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
CH3CHO+CH3O<=>CH2CHO+CH3OH                        +5.64000000E-006 +4.93000000E+000 +6.27690000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
CH2CHO+HO2=>CO+CH2O+H2O                           +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH2CHO+HO2=>HCO+CH2O+OH                           +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 


!CH3CO+O2=CH3CO3    3.15E59 -15.3 1.46E4
!    PLOG/1.0E-1 1.08E95 -2.7336E1 2.5141E4/
!    PLOG/1.0E-1 1.21E45 -1.1733E1 5.3583E3/
!    PLOG/1.0E0 9.27E68 -1.87E1 1.67E4/
!    PLOG/1.0E0 6.18E43 -1.1E1 5.69E3/
!    PLOG/1.0E1 3.15E59 -1.53E1 1.46E4/
!    PLOG/1.0E1 2.46E45 -1.14E1 6.41E3/
	

CH3CO+O2=CH3CO3                  2.8E34  -7.210    6060 	!
PLOG /0.1                           3.6E31  -4.769    2188 /
PLOG /1.0                           2.8E34  -7.210    6060 /
PLOG /10                            4.9E31  -6.087    6541 /
	! J.W. Allen, C.F. Goldsmith, W.H. Green, PhysChemChemPhys 2012, 14, 1131-1155.
	! fitted from figure
! ------ ------ ------ !
CH3CO+O2=CH2CO+HO2                   3.6E10   0.544    3721 	!
PLOG /0.1                           1.3E08   1.986     228 /
PLOG /1.0                           3.6E10   0.544    3721 /
PLOG /10                            7.7E13  -0.335    7510 /
	! J.W. Allen, C.F. Goldsmith, W.H. Green, PhysChemChemPhys 2012, 14, 1131-1155.
	! fitted from figure
! ------ ------ ------ !
CH3CO+O2=CH2O+CO+OH                  4.9E23  -3.712    5895 	!
PLOG /0.1                           5.1E22  -3.524    3255 /
PLOG /1.0                           4.9E23  -3.712    5895 /
PLOG /10                            4.8E22  -3.303    8598 /
	! J.W. Allen, C.F. Goldsmith, W.H. Green, PhysChemChemPhys 2012, 14, 1131-1155.
	! fitted from figure



!===========================================================================================================
!\ENDSUBSPECIES: CH3CO
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: C2H3OH
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C2H3OH(+M)<=>CH3CHO(+M)                           +9.66000000E+023 -3.29000000E+000 +5.99875300E+004 !\Author: SP !\Ref: E.E. DAMES, INT. J. CHEM. KINET. 46(2014) 176-188 !\Comment: WARNING 
LOW /                                             +2.87000000E+043 -8.12000000E+000 +5.21984900E+004 /
TROE /                           +5.00000000E-001 +8.63000000E+002 +3.20000000E+002 +1.00000000E+005 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C2H3OH+O2<=>CH2CHO+HO2                            +5.31000000E+011 +2.10000000E-001 +3.98300000E+004 !\Author: WARNING !\Ref: ETHENOL CHEMISTRY FROM CURRAN / YASUNAGA !\Comment: WARNING 
C2H3OH+O<=>CH2CHO+OH                              +1.87500000E+006 +1.90000000E+000 -8.60000000E+002 !\Author: WARNING !\Ref: ETHENOL CHEMISTRY FROM CURRAN / YASUNAGA !\Comment: WARNING 
C2H3OH+H<=>CH2CHO+H2                              +1.48000000E+003 +3.07700000E+000 +7.22000000E+003 !\Author: WARNING !\Ref: ENOL+H RAO |J. PHYS. CHEM. A 2011, 115, 1602-1608, !\Comment: WARNING 
C2H3OH+OH<=>CH2CHO+H2O                            +3.33000000E+009 +1.10000000E+000 +5.40500000E+002 !\Author: WARNING !\Ref: ETHENOL CHEMISTRY FROM CURRAN / YASUNAGA !\Comment: WARNING 
C2H3OH+CH3<=>CH2CHO+CH4                           +2.03000000E-008 +5.90000000E+000 +1.05200000E+003 !\Author: WARNING !\Ref: ETHENOL CHEMISTRY FROM CURRAN / YASUNAGA !\Comment: WARNING 
C2H3OH+CH3O2<=>CH2CHO+CH3O2H                      +3.40000000E+003 +2.50000000E+000 +8.92200000E+003 !\Author: WARNING !\Ref: ETHENOL CHEMISTRY FROM CURRAN / YASUNAGA !\Comment: WARNING 
C2H3OH+H<=>C2H2OH+H2                              +2.47000000E+007 +2.03000000E+000 +1.52000000E+004 !\Author: WARNING !\Ref: ENOL+H RAO |J. PHYS. CHEM. A 2011, 115, 1602-1608, !\Comment: WARNING 
C2H3OH+HOCHO<=>CH3CHO+HOCHO                     +2.81000000E-002 +3.28600000E+000 -4.50900000E+003
!DONG 0603!C2H3OH+HOCHO=CH3CHO+HOCHO                              2.81E-02    3.286   -4509 
REV /  7.04E+04    1.209     556 /

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONH
!___________________________________________________________________________________________________________ 
C2H3OH+H<=>PC2H4OH                                +3.01000000E+008 +1.57700000E+000 +3.67000000E+003 !\Author: WARNING !\Ref: ENOL+H RAO |J. PHYS. CHEM. A 2011, 115, 1602-1608, !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONHO2
!___________________________________________________________________________________________________________ 
C2H3OH+HO2<=>CH3CHO+HO2                           +1.49000000E+005 +1.67000000E+000 +6.81000000E+003 !\Author: WARNING !\Ref: DA SILVA BOZZELLI CHEMICAL PHYSICS LETTERS 483(2009) 25-29 !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: C2H3OH
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: CH2CHO
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
CH2CHO<=>H+CH2CO                                  +1.18000000E+036 -6.48000000E+000 +5.51710000E+004 !\Author: UB !\Ref: J.P. SENOSIAIN, ET AL. J. PHYS. CHEM. A, 110(2006) 5772-5781 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.39000000E+025 -4.80000000E+000 +4.34240000E+004 /
PLOG /                           +2.50000000E-002 +2.48000000E+027 -5.23000000E+000 +4.43040000E+004 /
PLOG /                           +1.00000000E-001 +2.37000000E+030 -5.86000000E+000 +4.61140000E+004 /
PLOG /                           +1.00000000E+000 +1.32000000E+034 -6.57000000E+000 +4.94540000E+004 /
PLOG /                           +1.00000000E+001 +3.46000000E+036 -6.92000000E+000 +5.29790000E+004 /
PLOG /                           +1.00000000E+002 +1.18000000E+036 -6.48000000E+000 +5.51710000E+004 /
CH2CHO<=>CH3+CO                                   +2.23000000E+033 -5.97000000E+000 +5.04480000E+004 !\Author: UB !\Ref: J.P. SENOSIAIN, ET AL. J. PHYS. CHEM. A, 110(2006) 5772-5781 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.16000000E+030 -6.07000000E+000 +4.13320000E+004 /
PLOG /                           +2.50000000E-002 +1.54000000E+031 -6.27000000E+000 +4.24780000E+004 /
PLOG /                           +1.00000000E-001 +6.37000000E+032 -6.57000000E+000 +4.42820000E+004 /
PLOG /                           +1.00000000E+000 +6.51000000E+034 -6.87000000E+000 +4.71910000E+004 /
PLOG /                           +1.00000000E+001 +2.15000000E+035 -6.67000000E+000 +4.95480000E+004 /
PLOG /                           +1.00000000E+002 +2.23000000E+033 -5.97000000E+000 +5.04480000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+H<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CH2CHO+H<=>CH3+HCO                                +7.46730000E+020 -1.69300000E+000 +1.34293000E+004 !\Author: UB !\Ref: N.J. LABBE, ET AL. PROC. COMBUST. INST. 35(2015) 447-455 !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.48650000E+017 -9.03000000E-001 +3.02350000E+003 /
PLOG /                           +1.00000000E-002 +1.93310000E+017 -9.35000000E-001 +3.11980000E+003 /
PLOG /                           +1.00000000E-001 +2.53580000E+018 -1.24300000E+000 +4.06180000E+003 /
PLOG /                           +1.00000000E+000 +1.92820000E+022 -2.30000000E+000 +7.69270000E+003 /
PLOG /                           +1.00000000E+001 +2.78760000E+025 -3.10000000E+000 +1.24544000E+004 /
PLOG /                           +1.00000000E+002 +7.46730000E+020 -1.69300000E+000 +1.34293000E+004 /
CH2CHO+H<=>H+CH3CO                                +8.07038000E+019 -1.50969000E+000 +1.55339280E+004 !\Author: UB !\Ref: N.J. LABBE, ET AL. PROC. COMBUST. INST. 35(2015) 447-455 !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +3.60192000E+013 +5.13900000E-002 +4.30182000E+003 /
PLOG /                           +1.00000000E-002 +4.63879000E+013 +2.10100000E-002 +4.39221300E+003 /
PLOG /                           +1.00000000E-001 +3.37344000E+014 -2.16860000E-001 +5.11319290E+003 /
PLOG /                           +1.00000000E+000 +9.20824000E+017 -1.15762000E+000 +8.19254000E+003 /
PLOG /                           +1.00000000E+001 +1.58439000E+022 -2.27331000E+000 +1.32607140E+004 /
PLOG /                           +1.00000000E+002 +8.07038000E+019 -1.50969000E+000 +1.55339280E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+OH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CH2CHO+OH<=>CH2CO+H2O                             +2.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: C.J. POPE, J.A. MILLER, PROC. COMBUST. INST. 28(2000) 1518-1529 !\Comment: WARNING 
CH2CHO+OH<=>CH2OH+HCO                             +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: C.J. POPE, J.A. MILLER, PROC. COMBUST. INST. 28(2000) 1518-1529 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CH2CHO+O<=>CH2O+HCO                               +5.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: C.J. POPE, J.A. MILLER, PROC. COMBUST. INST. 28(2000) 1518-1529 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CH2CHO+O2<=>O2CH2CHO                              +3.05000000E+050 -1.22000000E+001 +1.56300000E+004 !\Author: WARNING !\Ref: J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107(19), 3778-3791 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.58000000E+077 -2.19000000E+001 +1.93500000E+004 /
PLOG /                           +1.00000000E-001 +3.88000000E+069 -1.88400000E+001 +1.92400000E+004 /
PLOG /                           +1.00000000E+000 +7.80000000E+059 -1.54000000E+001 +1.76500000E+004 /
PLOG /                           +1.00000000E+001 +3.05000000E+050 -1.22000000E+001 +1.56300000E+004 /
CH2CHO+O2<=>CH2CO+HO2                             +7.05000000E+007 +1.63000000E+000 +2.52900000E+004 !\Author: WARNING !\Ref: J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107(19), 3778-3791 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.88000000E+005 +2.37000000E+000 +2.37300000E+004 /
PLOG /                           +1.00000000E-001 +1.88000000E+005 +2.37000000E+000 +2.73700000E+004 /
PLOG /                           +1.00000000E+000 +2.51000000E+005 +2.33000000E+000 +2.38000000E+004 /
PLOG /                           +1.00000000E+001 +7.05000000E+007 +1.63000000E+000 +2.52900000E+004 /
CH2CHO+O2=>CH2O+CO+OH                             +8.95300000E+013 -6.00000000E-001 +1.01200000E+004 !\Author: WARNING !\Ref: J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107(19), 3778-3791 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.68000000E+017 -1.84000000E+000 +6.53000000E+003 /
PLOG /                           +1.00000000E-001 +1.52000000E+020 -2.58000000E+000 +8.98000000E+003 /
PLOG /                           +1.00000000E+000 +1.65000000E+019 -2.22000000E+000 +1.03400000E+004 /
PLOG /                           +1.00000000E+001 +8.95300000E+013 -6.00000000E-001 +1.01200000E+004 /
CH2CHO+O2<=>HO2CH2CO                              +4.80000000E+038 -1.21400000E+001 +1.49600000E+004 !\Author: WARNING !\Ref: J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107(19), 3778-3791 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.64000000E+065 -2.18700000E+001 +1.90200000E+004 /
PLOG /                           +1.00000000E-001 +3.64000000E+058 -1.90000000E+001 +1.90900000E+004 /
PLOG /                           +1.00000000E+000 +6.65000000E+048 -1.55500000E+001 +1.74600000E+004 /
PLOG /                           +1.00000000E+001 +4.80000000E+038 -1.21400000E+001 +1.49600000E+004 /
O2CH2CHO<=>HO2CH2CO                               +1.43000000E+016 -1.67000000E+000 +2.12100000E+004 !\Author: WARNING !\Ref: J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107(19), 3778-3791 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.27000000E+030 -6.65000000E+000 +2.45000000E+004 /
PLOG /                           +1.00000000E-001 +1.73000000E+026 -4.99000000E+000 +2.37600000E+004 /
PLOG /                           +1.00000000E+000 +9.03000000E+019 -2.92000000E+000 +2.21700000E+004 /
PLOG /                           +1.00000000E+001 +1.43000000E+016 -1.67000000E+000 +2.12100000E+004 /
O2CH2CHO<=>CH2CO+HO2                              +1.12000000E+061 -1.60400000E+001 +6.00100000E+004 !\Author: WARNING !\Ref: J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107(19), 3778-3791 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.05000000E+040 -1.33100000E+001 +5.21500000E+004 /
PLOG /                           +1.00000000E-001 +5.72000000E+045 -1.40000000E+001 +5.22000000E+004 /
PLOG /                           +1.00000000E+000 +4.16000000E+055 -1.57600000E+001 +5.50800000E+004 /
PLOG /                           +1.00000000E+001 +1.12000000E+061 -1.60400000E+001 +6.00100000E+004 /
HO2CH2CO=>CO+CH2O+OH                              +4.16000000E+020 -3.02000000E+000 +8.24000000E+003 !\Author: WARNING !\Ref: J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107(19), 3778-3791 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.36000000E+017 -2.95000000E+000 +8.10000000E+003 /
PLOG /                           +1.00000000E-001 +2.38000000E+018 -2.95000000E+000 +8.10000000E+003 /
PLOG /                           +1.00000000E+000 +2.51000000E+019 -2.95000000E+000 +8.11000000E+003 /
PLOG /                           +1.00000000E+001 +4.16000000E+020 -3.02000000E+000 +8.24000000E+003 /
HO2CH2CO<=>CH2CO+HO2                              +2.09000000E+009 -3.55000000E+000 +2.12200000E+004 !\Author: WARNING !\Ref: J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107(19), 3778-3791 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.12000000E+007 -3.76000000E+000 +2.16800000E+004 /
PLOG /                           +1.00000000E-001 +1.10000000E+008 -3.76000000E+000 +2.16800000E+004 /
PLOG /                           +1.00000000E+000 +9.20000000E+008 -3.73000000E+000 +2.16300000E+004 /
PLOG /                           +1.00000000E+001 +2.09000000E+009 -3.55000000E+000 +2.12200000E+004 /
!===========================================================================================================
!\ENDSUBSPECIES: CH2CHO
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: CH3CO3H
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CH3CO3H(+M)<=>CH3CO2+OH(+M)                       +1.82237000E+020 -1.15300000E+000 +4.42504900E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
LOW /                                             +1.71128000E+043 -7.50200000E+000 +4.67560970E+004 /
TROE /                           +8.37500000E-001 +3.65620000E+004 +4.98800000E+002 +9.99000000E+003 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
!CH3CO3+CH2O<=>CH3CO3H+HCO                         +1.99000000E+012 +0.00000000E+000 +1.16600000E+004 !\Author: WARNING !\Ref: ANALOGY TO CH3O2+CH2O !\Comment: WARNING 
!CH3CO3+C2H6<=>CH3CO3H+C2H5                        +1.01000000E+002 +3.37000000E+000 +9.64000000E+003 !\Author: WARNING !\Ref: ANALOGY TO CH3O2+CH2O !\Comment: WARNING 
!CH3CO3+HO2<=>CH3CO3H+O2                           +1.75000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15 !\Comment: WARNING 
!CH3CO3+H2O2<=>CH3CO3H+HO2                         +2.41000000E+012 +0.00000000E+000 +9.93600000E+003 !\Author: WARNING !\Ref: TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15 !\Comment: WARNING 
!CH3CO3+CH4<=>CH3CO3H+CH3                          +7.26000000E+001 +3.60000000E+000 +1.42000000E+004 !\Author: SP !\Ref: H-H CARSTENSEN, A.M. DEAN, O. DEUTSCHMANN, PROC. COMBUST. INST. 31(2007) 149-157 !\Comment: WARNING 


!DUP!CH3CO3H=CH3CO2+OH               5.0E14   0.000   40142 	!
!DUP!	! Sahetchian, K.A.; Rigny, R.; Tardieu de Maleissye, J.; Batt, L.; Anwar Khan, M.; Mathews, S., Proc. Combust. Inst. 24, 637-643, 1992.
! ------ ------ ------ !	
CH3CO3H=>CH2O+CO+H2O		1.07E14 	  	 0.0 	  	5.01E04
	! Chuchani, G.; Martin, I.; Rotinov, A.; Dominguez, R.M., J. Phys. Org. Chem. 6, 54-58, 1993.
! ------ ------ ------ !	
CH3CO3H+H=CH3CO3+H2            5.4E10   0.000    1860 	!
	! est ch3ooh+h
! ------ ------ ------ !
CH3CO3H+O=CH3CO3+OH            8.7E12   0.000    4750 	!
	! est ch3ooh+o
! ------ ------ ------ !
CH3CO3H+OH=CH3CO3+H2O          1.1E12   0.000    -437 	!
	! est ch3ooh+o
! ------ ------ ------ !
CH3CO3H+HO2=CH3CO3+H2O2        4.1E04   2.500   10206 	!
	! est ch2o+ho2
! ------ ------ ------ !
CH3CO3H+CH3O2=CH3CO3+CH3O2H	9.200E-02	3.960	12640
	! RMG estimation: H_Abstraction (RMG-Py rate rules) 
! ------ ------ ------ !

! <<=====  CH3C(O)OO  =====>>
CH3CO3+H=CH3CO2+OH              1.0E14   0.000       0 	!
	! est ch3oo+h
! ------ ------ ------ !
CH3CO3+O=>CH3+CO2+O2               5.0E12   0.000       0 	!
	! A. Miyoshi, H. Matsui, N. Washida, J. Phys. Chem. 1989, 93, 5813-5818.
	! est
! ------ ------ ------ !
CH3CO3+O=>CH3O+CO+O2               1.5E13   0.000       0 	!
	! A. Miyoshi, H. Matsui, N. Washida, J. Phys. Chem. 1989, 93, 5813-5818.
	! est
! ------ ------ ------ !
CH3CO3+OH=CH3CO2+HO2            4.0E11   0.600       0 	!
	! est ch3oo+oh
! ------ ------ ------ !
CH3CO3+HO2=>CH3CO2+OH+O2         1.9E11   0.000   -1950 	!
	! C.B.M. Gross, T.J. Dillon, G. Schuster, J. Lelieveld, J. N. Crowley, J. Phys. Chem. A 2014, 118, 974-985.
	! R. Atkinson, D.L. Baulch, R.A. Cox, J.N. Crowley, R.F. Hampson, R.G. Hynes, M.E. Jenkin, M.J. Rossi, J. Troe, Atmos. Chem. Phys., 6, 3625-4055, 2006
! ------ ------ ------ !
CH3CO3+HO2=CH3CO3H+O2          1.2E11   0.000   -1950 	!
	! C.B.M. Gross, T.J. Dillon, G. Schuster, J. Lelieveld, J. N. Crowley, J. Phys. Chem. A 2014, 118, 974-985.
	! R. Atkinson, D.L. Baulch, R.A. Cox, J.N. Crowley, R.F. Hampson, R.G. Hynes, M.E. Jenkin, M.J. Rossi, J. Troe, Atmos. Chem. Phys., 6, 3625-4055, 2006
! ------ ------ ------ !
CH3CO3+CH3O2=>CH3CO2+CH3O+O2     1.1E12   0.000   -1000 	!
	! R. Atkinson, D.L. Baulch, R.A. Cox, J.N. Crowley, R.F. Hampson, R.G. Hynes, M.E. Jenkin, M.J. Rossi, J. Troe, Atmos. Chem. Phys., 6, 3625-4055, 2006
! ------ ------ ------ !
CH3CO3+CH3O2=>CH3COOH+CH2O+O2    1.2E11   0.000   -1000 	!
	! R. Atkinson, D.L. Baulch, R.A. Cox, J.N. Crowley, R.F. Hampson, R.G. Hynes, M.E. Jenkin, M.J. Rossi, J. Troe, Atmos. Chem. Phys., 6, 3625-4055, 2006
! ------ ------ ------ !	
CH3CO3+CH2O=CH3CO3H+HCO	4.444E+08   1.298   12129.3
	! est CH2O+HO2=HCO+H2O2
CH3CO3+CH2O=>CH3CO3H+H+CO	2.454E+14  0.027   30120
	! est CH2O+HO2=H+CO
! ------ ------ ------ !
CH3CO3+CH4=CH3CO3H+CH3		72.6		3.6		14200
	! H-H Carstensen, A.M. Dean, O. Deutschmann, Proc. Combust. Inst. 31 (2007) 149-157
! ------ ------ ------ !
CH3CO3+C2H6=CH3CO3H+C2H5		101		    3.37	9640
	! H-H Carstensen, A.M. Dean, O. Deutschmann, Proc. Combust. Inst. 31 (2007) 149-157
! ------ ------ ------ !
CH3CO3+CH3CO3=>CH3CO2+CH3CO2+O2	1.75E12 	0.0	  	  -994
 	! Atkinson, Baulch, Cox, Crowley, Hampson, Kerr, Rossi, Troe, IUPAC  2001
! ------ ------ ------ !
CH3CO3+C2H5O2=>C2H5O+CH3CO2+O2		3.01E11 	0.0	  	  	2125
 	! Maricq, Szente,  J. Phys. Chem. A 104 (2000) 7239-7245
! ------ ------ ------ !


CH3COOH=CH4+CO2	3.18E11		0.0		56953
PLOG /1	3.18E11		0.0		56953/
PLOG /6	3.51E12		0.0		62218/
	! A. Elwardany, E.F. Nasir, Et. Es-sebbar, A. Farooq, Proceedings of the Combustion Institute, Volume 35, Issue 1, 2015, Pages 429-436
! ------ ------ ------ !
CH3COOH=CH2CO+H2O	7.9E11		0.0		57702
PLOG /1	7.9E11		0.0		57702/
PLOG /6	6.34E12		0.0		62218/
	! A. Elwardany, E.F. Nasir, Et. Es-sebbar, A. Farooq, Proceedings of the Combustion Institute, Volume 35, Issue 1, 2015, Pages 429-436
! ------ ------ ------ !	
CH3COOH+H=CH3CO+H2O	6.610E+04	2.970	33458
	! RMG Rule:  RMG-Py group additivity
! ------ ------ ------ !	
CH3COOH+OH=>CH3+CO2+H2O	1.469E+10	0.000	-2039.5
	! Huang, Dransfield, Anderson, J. Phys. Chem. A 2010, 114, 11538-11544
! ------ ------ ------ !


!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ALPHA_SCISSION
!___________________________________________________________________________________________________________ 
!CH3CO2+M<=>CH3+CO2+M                              +4.40000000E+015 +0.00000000E+000 +1.05000000E+004 !\Author: WARNING !\Ref: ANALOGY TO CH3CO<=>CH3+CO !\Comment: WARNING 

CH3CO2=CO2+CH3							2.20E11 	0.29 	  	4579
 	! Zhou, Y.Z.; Li, S.; Li, Q.S.; Zhang, S.W.,  J. Mol. Struct. Theochem 854 (2008) 40-45
! ------ ------ ------ !
CH3CO2+H=CH3COOH		1.400E+12	0.490	-294
	! RMG-Py rate rules
! ------ ------ ------ !
CH3CO2+H2=CH3COOH+H		3.940E+09	1.220	9734
	! RMG-Py group additivity
! ------ ------ ------ !
CH3CO2+HO2=CH3COOH+O2	1.967E+09	1.220	8590
	! RMG-Py group additivity
! ------ ------ ------ !
CH3CO2+HCO=CH3COOH+CO	2.150E+14	-0.150	673
	! RMG-Py group additivity
! ------ ------ ------ !
CH3CO2+CH2O=CH3COOH+HCO		3.930E+09	1.220	9405
	! RMG-Py group additivity
! ------ ------ ------ !
CH3CO2+CH4=CH3COOH+CH3		7.870E+09	1.220	9752
	! RMG-Py group additivity
! ------ ------ ------ !
CH3CO2+C2H6=CH3COOH+C2H5	1.180E+10	1.220	9668
	! RMG-Py group additivity

!===========================================================================================================
!\ENDSUBSPECIES: CH3CO3H
!===========================================================================================================
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: CH3CHO
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: CH2CO
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CH2+CO(+M)<=>CH2CO(+M)                            +8.10000000E+011 +5.00000000E-001 +4.51000000E+003 !\Author: UB !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: HPL CORRECTED TO USCII VALUE 
LOW /                                             +2.69000000E+033 -5.11000000E+000 +7.09500000E+003 /
TROE /                           +5.90700000E-001 +2.75000000E+002 +1.22600000E+003 +5.18500000E+003 /
AR / +0.7000 / HE / +0.7000 / CO / +1.5000 / H2 / +2.0000 / CH4 / +2.0000 / CO2 / +2.0000 / C2H6 / +3.0000 / H2O / +6.0000 / 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
CH2CO+H<=>HCCO+H2                                 +1.40100000E+015 -1.71000000E-001 +8.78320000E+003 !\Author: WARNING !\Ref: WKM(SEE COMMENTS AT BEGINNING OF FILE 15 / 09 / 2011 !\Comment: WARNING 
CH2CO+OH=>HCCO+H2O                                +3.93000000E+004 +2.45000000E+000 +4.52400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
CH2CO+OH=>HCCO+H2O                                +2.60000000E+002 +2.70000000E+000 +1.27900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
CH2CO+OH<=>CH2OH+CO                               +3.50000000E+007 +1.41000000E+000 -1.24900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
CH2CO+OH<=>CH2OH+CO                               +4.09000000E+006 +1.76000000E+000 +2.08800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
CH2CO+OH=>CH3+CO2                                 +9.59000000E+021 -2.66000000E+000 +1.66700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-004 +1.17000000E+012 -1.10000000E-001 +3.67000000E+001 /
PLOG /                           +1.00000000E-004 +3.61000000E-015 -1.55400000E+001 -9.05800000E+004 /
PLOG /                           +1.00000000E-003 +1.17000000E+012 -1.10000000E-001 +3.64000000E+001 /
PLOG /                           +1.00000000E-003 +2.81000000E-007 -8.00000000E-001 -2.65800000E+004 /
PLOG /                           +1.00000000E-002 +1.54000000E+012 -1.50000000E-001 +1.33400000E+002 /
PLOG /                           +1.00000000E-002 +1.34000000E-008 -6.20000000E-001 -2.78800000E+004 /
PLOG /                           +1.00000000E+000 +2.70000000E+025 -3.95000000E+000 +9.98800000E+003 /
PLOG /                           +1.00000000E+000 +3.06000000E+008 +9.10000000E-001 +3.74800000E+002 /
PLOG /                           +1.00000000E+001 +4.64000000E+023 -3.26000000E+000 +1.29000000E+004 /
PLOG /                           +1.00000000E+001 +3.92000000E+005 +1.68000000E+000 +4.31600000E+002 /
PLOG /                           +2.00000000E+001 +4.58000000E+022 -2.93000000E+000 +1.36100000E+004 /
PLOG /                           +2.00000000E+001 +4.22000000E+004 +1.93000000E+000 +3.48500000E+002 /
PLOG /                           +5.00000000E+001 +1.70000000E+022 -2.76000000E+000 +1.52500000E+004 /
PLOG /                           +5.00000000E+001 +9.90000000E+002 +2.38000000E+000 +1.96400000E+002 /
PLOG /                           +1.00000000E+002 +9.59000000E+021 -2.66000000E+000 +1.66700000E+004 /
PLOG /                           +1.00000000E+002 +2.67000000E+001 +2.83000000E+000 +3.00000000E+000 /
CH2CO+OH=>CH2COOH                                 +6.97000000E+033 -6.19000000E+000 +1.59700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-004 +4.32000000E-012 -4.31000000E+000 -5.21500000E+004 /
PLOG /                           +1.00000000E-004 +1.55000000E+039 -1.04200000E+001 +1.54600000E+004 /
PLOG /                           +1.00000000E-003 +2.17000000E+030 -7.46000000E+000 +6.32500000E+003 /
PLOG /                           +1.00000000E-003 +1.10000000E+026 -6.52000000E+000 +2.25300000E+003 /
PLOG /                           +1.00000000E-002 +3.60000000E+040 -9.90000000E+000 +9.61100000E+003 /
PLOG /                           +1.00000000E-002 +3.69000000E+033 -8.17000000E+000 +3.45000000E+003 /
PLOG /                           +1.00000000E+000 +7.99000000E+039 -8.61000000E+000 +1.26900000E+004 /
PLOG /                           +1.00000000E+000 +7.01000000E+027 -5.50000000E+000 +3.35000000E+003 /
PLOG /                           +1.00000000E+001 +4.40000000E+037 -7.57000000E+000 +1.46700000E+004 /
PLOG /                           +1.00000000E+001 +1.34000000E+022 -3.48000000E+000 +2.32500000E+003 /
PLOG /                           +2.00000000E+001 +4.54000000E+036 -7.19000000E+000 +1.51400000E+004 /
PLOG /                           +2.00000000E+001 +3.63000000E+020 -2.94000000E+000 +2.01100000E+003 /
PLOG /                           +5.00000000E+001 +1.64000000E+035 -6.66000000E+000 +1.57200000E+004 /
PLOG /                           +5.00000000E+001 +6.51000000E+018 -2.34000000E+000 +1.65700000E+003 /
PLOG /                           +1.00000000E+002 +6.97000000E+033 -6.19000000E+000 +1.59700000E+004 /
PLOG /                           +1.00000000E+002 +2.20000000E+017 -1.85000000E+000 +1.33100000E+003 /
CH2COOH=>CH3+CO2                                  +2.37000000E+030 -5.20000000E+000 +4.71500000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E+000 +2.32000000E-003 +3.86000000E+000 +2.19100000E+004 /
PLOG /                           +1.00000000E+000 +2.21000000E-031 -1.24000000E+000 -3.63600000E+004 /
PLOG /                           +1.00000000E+001 +1.47000000E-065 +2.03700000E+001 -9.83600000E+003 /
PLOG /                           +1.00000000E+001 +4.20000000E+023 -3.49000000E+000 +3.93500000E+004 /
PLOG /                           +2.00000000E+001 +1.47000000E+033 -6.10000000E+000 +4.74100000E+004 /
PLOG /                           +2.00000000E+001 +5.22000000E+015 -1.57000000E+000 +3.28900000E+004 /
PLOG /                           +5.00000000E+001 +1.36000000E+032 -5.74000000E+000 +4.77400000E+004 /
PLOG /                           +5.00000000E+001 +2.77000000E+014 -1.13000000E+000 +3.26200000E+004 /
PLOG /                           +1.00000000E+002 +2.37000000E+030 -5.20000000E+000 +4.71500000E+004 /
PLOG /                           +1.00000000E+002 +6.78000000E+013 -9.30000000E-001 +3.24800000E+004 /
CH2COOH=>CH2CO+OH                                 +1.77000000E+040 -7.57000000E+000 +6.31700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-004 +1.41000000E-004 -5.95000000E+000 -2.91400000E+003 /
PLOG /                           +1.00000000E-004 +7.47000000E+046 -1.20800000E+001 +6.49100000E+004 /
PLOG /                           +1.00000000E-003 +1.02000000E+037 -8.84000000E+000 +5.48200000E+004 /
PLOG /                           +1.00000000E-003 +1.62000000E+030 -7.25000000E+000 +5.00400000E+004 /
PLOG /                           +1.00000000E-002 +1.32000000E+053 -1.31200000E+001 +6.07900000E+004 /
PLOG /                           +1.00000000E-002 +5.96000000E+035 -8.05000000E+000 +5.13600000E+004 /
PLOG /                           +1.00000000E+000 +2.89000000E+051 -1.14700000E+001 +6.36400000E+004 /
PLOG /                           +1.00000000E+000 +2.65000000E+031 -5.84000000E+000 +5.15600000E+004 /
PLOG /                           +1.00000000E+001 +6.20000000E+045 -9.43000000E+000 +6.35400000E+004 /
PLOG /                           +1.00000000E+001 +6.53000000E+028 -4.89000000E+000 +5.12000000E+004 /
PLOG /                           +2.00000000E+001 +2.08000000E+044 -8.92000000E+000 +6.35900000E+004 /
PLOG /                           +2.00000000E+001 +4.71000000E+027 -4.49000000E+000 +5.09800000E+004 /
PLOG /                           +5.00000000E+001 +1.36000000E+042 -8.18000000E+000 +6.34700000E+004 /
PLOG /                           +5.00000000E+001 +1.34000000E+026 -3.95000000E+000 +5.06800000E+004 /
PLOG /                           +1.00000000E+002 +1.77000000E+040 -7.57000000E+000 +6.31700000E+004 /
PLOG /                           +1.00000000E+002 +1.25000000E+025 -3.60000000E+000 +5.04600000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONH
!___________________________________________________________________________________________________________ 
CH2CO+H=CH3+CO                                    +7.80000000E+008 +1.45000000E+000 +2.78000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH+CH2O<=>H+CH2CO                                 +9.46000000E+013 +0.00000000E+000 -5.15000000E+002 !\Author: WARNING !\Ref: REG 2.11 !\Comment: WARNING 
O2+CH2CO=>CO2+CH2O                                +1.00000000E+014 +0.00000000E+000 +3.70000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
O2+CH2CO=>OH+CO+HCO                               +3.00000000E+014 +0.00000000E+000 +4.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
O2+CH2CO=>HO2+HCCO                                +1.36000000E+007 +2.00000000E+000 +5.45264300E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONO
!___________________________________________________________________________________________________________ 
!CH2CO+O<=>HCCO+OH                                 +1.00000000E+013 +0.00000000E+000 +8.00000000E+003 !\Author: WARNING !\Ref: WKM ESTIMATE, LLNL !\Comment: WARNING 
CH2CO+O=CO2+CH2                                   +1.80000000E+012 +0.00000000E+000 +1.35000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONMISC
!___________________________________________________________________________________________________________ 
CH2CO+CH2(S)<=>C2H4+CO                            +1.60000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WKM CALCULATION !\Comment: CHEMICALLY ACTIVATED, APPEARS PRESSURE INDEPENDANT 
CH2CO+CH3<=>C2H5+CO                               +4.76900000E+004 +2.31200000E+000 +9.46800000E+003 !\Author: WARNING !\Ref: WKM CALCULATION !\Comment: CHEMICALLY ACTIVATED, APPEARS PRESSURE INDEPENDANT 
!===========================================================================================================
!\SUBSPECIES: HCCO
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ALPHA_SCISSION
!___________________________________________________________________________________________________________ 
CH+CO(+M)<=>HCCO(+M)                              +5.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: GRI3.0 !\Comment: WARNING 
LOW /                                             +2.69000000E+028 -3.74000000E+000 +1.93600000E+003 /
TROE /                           +5.75700000E-001 +2.37000000E+002 +1.65200000E+003 +5.06900000E+003 /
AR / +0.7000 / CO / +1.5000 / CH4 / +2.0000 / H2 / +2.0000 / CO2 / +2.0000 / C2H6 / +3.0000 / H2O / +6.0000 / 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONO2
!___________________________________________________________________________________________________________ 
HCCO+O2=>OH+CO+CO                                 +1.91000000E+011 -2.00000000E-002 +1.02000000E+003 !\Author: UB !\Ref: S.J. KLIPPENSTEIN ET AL. PROC. COMBUST. INST. 29(2002) 1209-1217 !\Comment: WARNING 
HCCO+O2=>CO2+CO+H                                 +4.78000000E+012 -1.42000000E-001 +1.15000000E+003 !\Author: UB !\Ref: S.J. KLIPPENSTEIN ET AL. PROC. COMBUST. INST. 29(2002) 1209-1217 !\Comment: WARNING 
HCCO+O2=>HCO+CO+O                                 +2.18000000E+002 +2.69200000E+000 +3.54100000E+003 !\Author: UB !\Ref: S.J. KLIPPENSTEIN ET AL. PROC. COMBUST. INST. 29(2002) 1209-1217 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONOH
!___________________________________________________________________________________________________________ 
!HCCO+OH<=>CO+HCOH                                 +1.50000000E+014 -5.75000000E-002 +2.60770000E+002 !\Author: UB !\Ref: REFIT OF XIONG ET AL COMBUST. FLAME, 161(2014) 885-897 !\Comment: WARNING 


HCCO+OH=C2O+H2O	1.439E+04	2.650	1472
	! Xiong et al., Combust. Flame 161 (2014) 885-897
! ------ ------ ------ !
HCCO+OH=CH2CO+O	1.265E+06	1.990	11280
	! Xiong et al., Combust. Flame 161 (2014) 885-897
! ------ ------ ------ !
HCCO+OH=HCOH+CO     1.0                        0.0                        0.0
PLOG / 1    	3.032E+16   -0.935    659.4    /
PLOG / 10      	1.143E+18   -1.392   1395.1    /
PLOG / 100      3.224E+18   -1.523   1626.7    /
DUPLICATE
HCCO+OH=HCOH+CO     1.0                        0.0                        0.0
PLOG / 1    	8.694E+19   -1.792   5994.3    /
PLOG / 10      	3.490E+22   -2.475   9162.6    /
PLOG / 100      1.261E+24   -2.902   10522.1    /
DUPLICATE
! ------ ------ ------ !
HCCO+OH=CH2O+CO		1.0		0.0		0.0
PLOG / 1               1.187E+21   -2.459   2527.6    /
PLOG / 100          1.100E+08   0.110     52.0   /
! ------ ------ ------ !
HCCO+OH=>H+CO+CO+H		1.0		0.0		0.0
PLOG / 0.01	2.632E+08	1.410	845	  /
PLOG / 0.1	2.632E+08	1.410	845	  /
PLOG / 1	2.638E+08	1.410	849	  /
PLOG / 10	2.963E+08	1.400	917	  /
PLOG / 100	8.190E+08	1.280	1531  /
	! Xiong et al., Combust. Flame 161 (2014) 885-897
! ------ ------ ------ !
HCCO+OH=CO2+CH2		1.0		0.0		0.0
PLOG / 0.01			1.018E+19	-2.080	44	  /
PLOG / 0.1     7.912E+18   -2.018     20.4   / 
PLOG /  0.1     6.572E+14   -1.035   3238.3 / 
PLOG /  1.00     1.470E+27   -4.654   2176.2   / 
PLOG /  1.00     2.082E+20   -2.415   2101.0 / 
PLOG / 10     2.126E+24   -3.600   1997.1   / 
	! Refitting to positive rate constants from
	! Xiong et al., Combust. Flame 161 (2014) 885-897


!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONMISC
!___________________________________________________________________________________________________________ 
HCCO+O=>H+CO+CO                                   +8.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WKM CALCULATION !\Comment: CHEMICALLY ACTIVATED, APPEARS PRESSURE INDEPENDANT 
HCCO+CH<=>CO+C2H2                                 +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: GRI3.0 !\Comment: WARNING 
HCCO+CH2<=>C2H3+CO                                +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
HCCO+H<=>CH2(S)+CO                                +1.02000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: GLASS ET AL. J.PHYS.CHEM.A, 104(2000) 8360-8367 !\Comment: WARNING 
HCCO+HCCO=>C2H2+CO+CO                             +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: UB !\Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: HCCO
!===========================================================================================================
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: CH2CO
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C2H5OH
!\MECHCOMMENTS: KPS, 30 / 07 / 2015,LOW TEMPERATURE PATHWAYS FOR ETHANOL RADICALS+O2 ARE FROM VARYING SOURCES. ARE THERE ANY INCONSISTENCIES IN HPL / P-DEPENDENT KINETICS
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C2H5OH<=>C2H4+H2O                                 +3.84000000E+020 -2.06000000E+000 +6.94655000E+004 !\Author: WARNING !\Ref: SIVARAMAKRISHNAN J. PHYS. CHEM. A, VOL. 114, NO. 35, 2010 !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +3.41000000E+059 -1.42000000E+001 +8.36726000E+004 /
PLOG /                           +1.00000000E-002 +2.62000000E+057 -1.33000000E+001 +8.52622000E+004 /
PLOG /                           +1.00000000E-001 +1.65000000E+052 -1.15000000E+001 +8.47456000E+004 /
PLOG /                           +1.00000000E+000 +5.23000000E+043 -8.90000000E+000 +8.15067000E+004 /
PLOG /                           +1.00000000E+001 +4.59000000E+032 -5.60000000E+000 +7.60624000E+004 /
PLOG /                           +1.00000000E+002 +3.84000000E+020 -2.06000000E+000 +6.94655000E+004 /


C2H5O+H(+M)=C2H5OH(+M)            3.1E11   0.894      13 !
LOW /                                3.8E51 -15.550   11101 /
	! Xu et al., J. Phys. Chem. A 115 (2011) 3509-3522.

C2H5OH<=>CH3+CH2OH                                +1.78000000E+047 -8.96000000E+000 +1.01058800E+005 !\Author: WARNING !\Ref: SIVARAMAKRISHNAN J. PHYS. CHEM. A, VOL. 114, NO. 35, 2010 !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.20000000E+054 -1.29000000E+001 +1.00005700E+005 /
PLOG /                           +1.00000000E-002 +5.18000000E+059 -1.40000000E+001 +9.99064000E+004 /
PLOG /                           +1.00000000E-001 +1.62000000E+066 -1.53000000E+001 +1.05390500E+005 /
PLOG /                           +1.00000000E+000 +5.55000000E+064 -1.45000000E+001 +1.06183000E+005 /
PLOG /                           +1.00000000E+001 +1.55000000E+058 -1.23000000E+001 +1.05768000E+005 /
PLOG /                           +1.00000000E+002 +1.78000000E+047 -8.96000000E+000 +1.01058800E+005 /
C2H5OH<=>C2H5+OH                                  +6.17000000E+051 -1.03000000E+001 +1.09940700E+005 !\Author: WARNING !\Ref: SIVARAMAKRISHNAN J. PHYS. CHEM. A, VOL. 114, NO. 35, 2010 !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +8.10000000E+046 -1.13000000E+001 +1.11053400E+005 /
PLOG /                           +1.00000000E-002 +1.86000000E+056 -1.35000000E+001 +1.07238400E+005 /
PLOG /                           +1.00000000E-001 +4.65000000E+063 -1.50000000E+001 +1.09622800E+005 /
PLOG /                           +1.00000000E+000 +4.46000000E+065 -1.49000000E+001 +1.12345000E+005 /
PLOG /                           +1.00000000E+001 +2.79000000E+061 -1.34000000E+001 +1.13080200E+005 /
PLOG /                           +1.00000000E+002 +6.17000000E+051 -1.03000000E+001 +1.09940700E+005 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C2H5OH+O<=>C2H5O+OH                               +1.46000000E-003 +4.73000000E+000 +1.72700000E+003 !\Author: WARNING !\Ref: WU ET AL., J. PHYS. CHEM. A 2007, 111, 6693-6703 !\Comment: WARNING 
C2H5OH+OH<=>C2H5O+H2O                             +5.81000000E-003 +4.28000000E+000 -3.56000000E+003 !\Author: WARNING !\Ref: SMB 04 / 09 / 2013 !\Comment: BRANCHING RATIO CHANGED FOR THE UNDERPREDICIOTN OF C2H4 IN THE JSR AND FLOW REACTOR 
C2H5OH+H<=>C2H5O+H2                               +9.45000000E+002 +3.14000000E+000 +8.70110000E+003 !\Author: WARNING !\Ref: SIVARAMAKRISHNAN J. PHYS. CHEM. A, VOL. 114, NO. 35, 2010 !\Comment: WARNING 
C2H5OH+HO2<=>C2H5O+H2O2                           +6.47000000E-007 +5.30000000E+000 +1.05331000E+004 !\Author: WARNING !\Ref: MITTAL 2013 !\Comment: INCREASED BY 1.75 ZHOU WARNING 
C2H5OH+CH3<=>C2H5O+CH4                            +2.03500000E+000 +3.57000000E+000 +7.72100000E+003 !\Author: WARNING !\Ref: XU, Z.F. ET AL., J. CHEM. PHYS. 120,6593-6599, 2004 !\Comment: WARNING 
C2H5OH+CH3O2<=>C2H5O+CH3O2H                       +3.23600000E-007 +5.30000000E+000 +1.05331000E+004 !\Author: WARNING !\Ref: ANAOLGY WITH C2H5OH+HO2 !\Comment: WARNING 
C2H5OH+O2<=>SC2H4OH+HO2                           +1.50000000E+013 +0.00000000E+000 +5.01500000E+004 !\Author: WARNING !\Ref: SIVARAMAKRISHNAN J. PHYS. CHEM. A, VOL. 114, NO. 35, 2010 !\Comment: WARNING 
C2H5OH+O<=>SC2H4OH+OH                             +1.45000000E+005 +2.47000000E+000 +8.76000000E+002 !\Author: WARNING !\Ref: WU ET AL., J. PHYS. CHEM. A 2007, 111, 6693-6703 !\Comment: WARNING 
C2H5OH+H<=>SC2H4OH+H2                             +8.79000000E+004 +2.68000000E+000 +2.91000000E+003 !\Author: WARNING !\Ref: SIVARAMAKRISHNAN J. PHYS. CHEM. A, VOL. 114, NO. 35, 2010 !\Comment: WARNING 
C2H5OH+OH<=>SC2H4OH+H2O                           +7.52000000E+004 +2.49000000E+000 -1.47410000E+003 !\Author: WARNING !\Ref: SMB 04 / 09 / 2013 !\Comment: BRANCHING RATIO CHANGED FOR THE UNDERPREDICIOTN OF C2H4 IN THE JSR AND FLOW REACTOR 
!C2H5OH+HO2<=>SC2H4OH+H2O2                         +2.99510000E-007 +6.00000000E+000 +9.00000000E+003 !\Author: WARNING !\Ref: ACCHEN RATE !\Comment: 
C2H5OH+HO2<=>SC2H4OH+H2O2                         +2.45000000E-005 +5.26000000E+000 +7.47510000E+003 !\Author: WARNING !\Ref: MITTAL 2013 !\Comment: INCREASED BY 1.75 ZHOU WARNING 
!C2H5OH+HO2=SC2H4OH+H2O2        2.80E-05   5.26    7967.907   !\ Ref: Zhou et al.Int J Chem Kinet 44: 155-164, 2012!\Comment: Ea-300 cal/mol
C2H5OH+CH3<=>SC2H4OH+CH4                          +1.99300000E+001 +3.37000000E+000 +7.63400000E+003 !\Author: WARNING !\Ref: XU, Z.F. ET AL., J. CHEM. PHYS. 120,6593-6599, 2004 !\Comment: WARNING 
C2H5OH+CH3O2<=>SC2H4OH+CH3O2H                     +1.22500000E-005 +5.26000000E+000 +7.47510000E+003 !\Author: WARNING !\Ref: ANAOLGY WITH C2H5OH+HO2 !\Comment: WARNING 
C2H5OH+C2H5<=>SC2H4OH+C2H6                        +5.00000000E+010 +0.00000000E+000 +1.04000000E+004 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
C2H5OH+O2<=>PC2H4OH+HO2                           +2.00000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: SIVARAMAKRISHNAN J. PHYS. CHEM. A, VOL. 114, NO. 35, 2010 !\Comment: WARNING 
C2H5OH+O<=>PC2H4OH+OH                             +9.69000000E+002 +3.23000000E+000 +4.65800000E+003 !\Author: WARNING !\Ref: WU ET AL., J. PHYS. CHEM. A 2007, 111, 6693-6703 !\Comment: WARNING 
C2H5OH+H<=>PC2H4OH+H2                             +5.31000000E+004 +2.81000000E+000 +7.49000000E+003 !\Author: WARNING !\Ref: SIVARAMAKRISHNAN J. PHYS. CHEM. A, VOL. 114, NO. 35, 2010 !\Comment: WARNING 
C2H5OH+OH<=>PC2H4OH+H2O                           +3.76000000E+003 +2.78000000E+000 -1.81020000E+003 !\Author: WARNING !\Ref: SMB 04 / 09 / 2013 !\Comment: BRANCHING RATIO CHANGED FOR THE UNDERPREDICIOTN OF C2H4 IN THE JSR AND FLOW RE 
C2H5OH+HO2<=>PC2H4OH+H2O2                         +3.98600000E-002 +4.30000000E+000 +1.53330000E+004 !\Author: WARNING !\Ref: MITTAL 2013 !\Comment: INCREASED BY 1.75 ZHOU WARNING 
C2H5OH+CH3<=>PC2H4OH+CH4                          +3.30000000E+002 +3.30000000E+000 +1.22900000E+004 !\Author: WARNING !\Ref: XU, Z.F. ET AL., J. CHEM. PHYS. 120,6593-6599, 2004 !\Comment: WARNING 
C2H5OH+CH3O2<=>PC2H4OH+CH3O2H                     +1.99500000E-002 +4.30000000E+000 +1.53330000E+004 !\Author: WARNING !\Ref: ANAOLGY WITH C2H5OH+HO2 !\Comment: WARNING 
C2H5OH+C2H5<=>PC2H4OH+C2H6                        +5.00000000E+010 +0.00000000E+000 +1.34000000E+004 !\Author: WARNING !\Ref: 1 / 2 OF C4H10+C2H5 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
SC2H4OH(+M)=CH3CHO+H(+M)                          +6.20000000E+009 +1.31000000E+000 +3.37780000E+004 !\Author: SP !\Ref: E.E. DAMES, INT. J. CHEM. KINET. 46(2014) 176-188 !\Comment: WARNING 
LOW /                                             +1.80000000E+016 +0.00000000E+000 +2.07820000E+004 /
TROE /                           +1.87000000E-001 +6.52000000E+001 +2.56800000E+003 +4.12260000E+004 /
SC2H4OH(+M)=C2H3OH+H(+M)                          +6.40000000E+009 +1.33000000E+000 +3.59740000E+004 !\Author: SP !\Ref: E.E. DAMES, INT. J. CHEM. KINET. 46(2014) 176-188 !\Comment: WARNING 
LOW /                                             +8.20000000E+014 +0.00000000E+000 +2.15170000E+004 /
TROE /                           +4.73000000E-001 +1.00000000E+001 +2.21800000E+003 +2.61500000E+003 /
SC2H4OH(+M)=CH3+CH2O(+M)                          +2.20000000E+009 +1.18000000E+000 +3.39870000E+004 !\Author: SP !\Ref: E.E. DAMES, INT. J. CHEM. KINET. 46(2014) 176-188 !\Comment: WARNING 
LOW /                                             +5.90000000E+015 +0.00000000E+000 +2.13330000E+004 /
TROE /                           +1.24000000E-001 +1.00000000E+000 +1.72900000E+003 +5.00000000E+004 /
CH3CHO+H<=>C2H5O                                  +4.61000000E+007 +1.71000000E+000 +7.09000000E+003 !\Author: WARNING !\Ref: HARDING J. PHYS. CHEM., VOL. 114, NO. 2, 2010 !\Comment: WARNING 
C2H5O(+M)<=>CH3+CH2O(+M)                          +6.30000000E+010 +9.30000000E-001 +1.70980000E+004 !\Author: SP !\Ref: E.E. DAMES, INT. J. CHEM. KINET. 46(2014) 176-188 !\Comment: WARNING 
LOW /                                             +4.70000000E+025 -3.00000000E+000 +1.65320000E+004 /
TROE /                           +4.26000000E-001 +3.00000000E-001 +2.27800000E+003 +1.00000000E+005 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C2H5O+O2<=>CH3CHO+HO2                             +4.28000000E+010 +0.00000000E+000 +1.09700000E+003 !\Author: WARNING !\Ref: HARTMANN ET AL. 1990 !\Comment: WARNING 
!O2C2H4OH<=>PC2H4OH+O2                             +3.90000000E+016 -1.00000000E+000 +3.00000000E+004 !\Author: WARNING !\Ref: BASED ON C3H6OH+O2 REACTION !\Comment: WARNING 

! ------ ------ ------ !
PC2H4OH+HO2=>CH2OH+CH2O+OH          3.0E13   0.000       0 !
	! est C2H5+HO2
! ------ ------ ------ !
PC2H4OH+O2=C2H3OH+HO2                             6.02E+03   -10.000    199  !A*0.7
  PLOG/  1.30E-02      9.10E+52     -11.880       35927/        
  PLOG/  1.30E-02      1.58E+10      -0.150        -791/            
  PLOG/  1.00E-01      3.47E+12      -0.790         877/            
  PLOG/  1.00E-01      1.96E+61     -14.170       43492/        
  PLOG/  1.00E+00      2.51E+13      -0.880        3074/          
  PLOG/  1.00E+00      4.21E+03     -10.000         199/          
  PLOG/  1.00E+01      3.07E+20      -2.850        8516/          
  PLOG/  1.00E+01      4.21E+03     -10.000         199/          
  PLOG/  1.00E+02      1.33E+30      -5.510       16616/         
  PLOG/  1.00E+02      4.21E+03     -10.000         199/       
	! Zador J Fernandes RX Georgievskii Y Meloni G Taatjes CA Miller JA Proc Combust Inst 2009 32 271-277
PC2H4OH+O2=O2C2H4OH    6.4E38 -8.77 5.859E3
  PLOG/  1.30E-02      1.50E+44     -11.150        5523/          
  PLOG/  1.00E-01      4.87E+42     -10.340        5913/          
  PLOG/  1.00E+00      6.42E+38      -8.770        5859/          
  PLOG/  1.00E+01      5.57E+32      -6.580        5046/          
  PLOG/  1.00E+02      4.22E+26      -4.460        3940/          
! Zador J Fernandes RX Georgievskii Y Meloni G Taatjes CA Miller JA Proc Combust Inst 2009 32 271-277
! ------ ------ ------ !
! 1 atm
PC2H4OH+O2=>2CH2O+OH                           4.35E+24   -4.360    4396  !A*1.3
  PLOG/  1.30E-02      7.24E+22      -3.950        1210/           
  PLOG/  1.00E-01      1.85E+24      -4.310        2664/           
  PLOG/  1.00E+00      5.66E+24      -4.360        4396/          
  PLOG/  1.00E+01      3.86E+25      -4.500        6763/          
  PLOG/  1.00E+02      1.55E+29      -5.440       11323/    
! Zador J Fernandes RX Georgievskii Y Meloni G Taatjes CA Miller JA Proc Combust Inst 2009 32 271-277
!\Author: WARNING !\Ref: DA SILVA J. PHYS. CHEM. A 2009, 113, 8923-8933 !\Comment: WARNING
SC2H4OH+O2=CH3CHO+HO2    5.26E17 -1.638 8.69E2
!\Author: WARNING !\Ref: DA SILVA J. PHYS. CHEM. A 2009, 113, 8923-8933 !\Comment: WARNING
SC2H4OH+O2=C2H3OH+HO2    4.38E5 1.699 2.33E3
    PLOG/1.0E-2 5.12E2 2.496E0 -4.14E2/
    PLOG/1.0E-1 5.33E2 2.49E0 -4.02E2/
    PLOG/1.0E0 7.62E2 2.446E0 -2.96E2/
    PLOG/1.0E1 8.92E3 2.146E0 4.7E2/
    PLOG/1.0E2 4.38E5 1.699E0 2.33E3/

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
O2C2H4OH=>OH+CH2O+CH2O                            +3.80000000E+018 -2.60000000E+000 +1.99720000E+004 !\Author: SP !\Ref: ZADOR J FERNANDES RX GEORGIEVSKII Y MELONI G TAATJES CA MILLER JA PROC COMBUST INST 2009 32 271-277 !\Comment: WARNING 
PLOG /                           +1.30000000E-002 +5.60000000E+013 -1.90000000E+000 +1.43380000E+004 /
PLOG /                           +1.00000000E-001 +2.20000000E+014 -1.92000000E+000 +1.48700000E+004 /
PLOG /                           +1.00000000E+000 +2.00000000E+015 -2.03000000E+000 +1.59130000E+004 /
PLOG /                           +1.00000000E+001 +5.00000000E+016 -2.26000000E+000 +1.75520000E+004 /
PLOG /                           +1.00000000E+002 +3.80000000E+018 -2.60000000E+000 +1.99720000E+004 /
O2C2H4OH<=>C2H3OH+HO2                             +5.80000000E+014 -1.51000000E+000 +2.05610000E+004 !\Author: SP !\Ref: ZADOR J FERNANDES RX GEORGIEVSKII Y MELONI G TAATJES CA MILLER JA PROC COMBUST INST 2009 32 271-277 !\Comment: WARNING 
PLOG /                           +1.30000000E-002 +2.00000000E+009 -1.01000000E+000 +1.31600000E+004 /
PLOG /                           +1.00000000E-001 +2.10000000E+009 -8.10000000E-001 +1.35980000E+004 /
PLOG /                           +1.00000000E+000 +1.40000000E+010 -7.80000000E-001 +1.48360000E+004 /
PLOG /                           +1.00000000E+001 +8.50000000E+011 -1.01000000E+000 +1.70450000E+004 /
PLOG /                           +1.00000000E+002 +5.80000000E+014 -1.51000000E+000 +2.05610000E+004 /
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C2H5OH
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: CH3OCH3
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CH3OCH3(+M)<=>CH3+CH3O(+M)                        +2.33000000E+019 -6.61000000E-001 +8.41390000E+004 !\Author: WARNING !\Ref: R. SIVARAMAKRISHNAN, J.V. MICHAEL, A.F. WAGNER, R. DAWES, A.W. JASPER, L.B. HARDING, Y. GEORGIEVSKII, S.J. KLIPPENSTEIN, COMBUSTION AND FLAME, 158(2011) 61 !\Comment: WARNING 
LOW /                                             +1.72000000E+059 -1.14000000E+001 +9.32956000E+004 /
TROE /                                            +1.00000000E+000 +1.00000000E-030 +8.80000000E+002 /
N2 / +1.5000 / CO / +2.2500 / H2 / +3.0000 / CH4 / +3.0000 / CO2 / +3.0000 / C2H6 / +4.5000 / CH3OCH3 / +5.0000 / H2O / +9.0000 / 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
CH3OCH3+OH<=>CH3OCH2+H2O                          +9.35000000E+005 +2.29000000E+000 -7.80700000E+002 !\Author: WARNING !\Ref: S.L. FISCHER, F.L. DRYER, H.J. CURRAN, INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 32(2000) 713-740. !\Comment: WARNING 
CH3OCH3+H<=>CH3OCH2+H2                            +7.72100000E+006 +2.09000000E+000 +3.38400000E+003 !\Author: WARNING !\Ref: CURRAN, FIT TO NIST DATABASE !\Comment: WARNING 
CH3OCH3+O<=>CH3OCH2+OH                            +7.75000000E+008 +1.36000000E+000 +2.25000000E+003 !\Author: WARNING !\Ref: CURRAN 08 NIST FIT !\Comment: WARNING 
CH3OCH3+HO2<=>CH3OCH2+H2O2                        +3.17000000E-003 +4.64000000E+000 +1.05560000E+004 !\Author: WARNING !\Ref: J. MENDES, C.-W. ZHOU, H.J. CURRAN, THE JOURNAL OF PHYSICAL CHEMISTRY A, 118(2014) 1300-1308. !\Comment: WARNING 
CH3OCH3+CH3O2<=>CH3OCH2+CH3O2H                    +1.26800000E-003 +4.64000000E+000 +1.05560000E+004 !\Author: WARNING !\Ref: J. MENDES, C.-W. ZHOU, H.J. CURRAN, THE JOURNAL OF PHYSICAL CHEMISTRY A, 118(2014) 1300-1308. !\Comment: WARNING 
CH3OCH3+CH3<=>CH3OCH2+CH4                         +4.59000000E+000 +3.78000000E+000 +9.69400000E+003 !\Author: KPS, RESTORED TO ORIGINAL TRANTER RATE CONSTANT, 30 / 05 / 2016 !\Ref: R.S. TRANTER, P.T. LYNCH, C.J. ANNESLEY, THE JOURNAL OF PHYSICAL CHEMISTRY A, 116(2012) 7287-7292. !\Comment: (A-FACTOR - 3.0) 
CH3OCH3+O2<=>CH3OCH2+HO2                          +4.10000000E+013 +0.00000000E+000 +4.49100000E+004 !\Author: WARNING !\Ref: S.L. FISCHER, F.L. DRYER, H.J. CURRAN, INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 32(2000) 713-740. !\Comment: WARNING 
CH3OCH3+CH3O<=>CH3OCH2+CH3OH                      +6.02000000E+011 +0.00000000E+000 +4.07400000E+003 !\Author: WARNING !\Ref: ESTIMATE, S.L. FISCHER, F.L. DRYER, H.J. CURRAN, INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 32(2000) 713-740. !\Comment: WARNING 
CH3OCH3+CH3OCH2O2<=>CH3OCH2+CH3OCH2O2H            +5.00000000E+012 +0.00000000E+000 +1.76900000E+004 !\Author: WARNING !\Ref: S.L. FISCHER, F.L. DRYER, H.J. CURRAN, INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 32(2000) 713-740. !\Comment: WARNING 
CH3OCH3+O2CHO<=>CH3OCH2+HO2CHO                    +4.42500000E+004 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: S.L. FISCHER, F.L. DRYER, H.J. CURRAN, INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 32(2000) 713-740. !\Comment: WARNING 
CH3OCH3+OCHO<=>CH3OCH2+HOCHO                      +1.00000000E+013 +0.00000000E+000 +1.76900000E+004 !\Author: WARNING !\Ref: S.L. FISCHER, F.L. DRYER, H.J. CURRAN, INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 32(2000) 713-740. !\Comment: WARNING 
CH3OCH2+CH2O<=>CH3OCH3+HCO                        +5.49000000E+003 +2.80000000E+000 +5.86200000E+003 !\Author: WARNING !\Ref: S.L. FISCHER, F.L. DRYER, H.J. CURRAN, INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 32(2000) 713-740. !\Comment: WARNING 
CH3OCH2+CH3CHO<=>CH3OCH3+CH3CO                    +1.26000000E+012 +0.00000000E+000 +8.49900000E+003 !\Author: WARNING !\Ref: S.L. FISCHER, F.L. DRYER, H.J. CURRAN, INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 32(2000) 713-740. !\Comment: WARNING 
CH3OCH3+CH2OCHO<=>CH3OCH2+CH3OCHO                 +8.86600000E-003 +4.36800000E+000 +1.32350000E+001 !\Author: KPS !\Ref: DAMES, CNF, 2016 !\Comment: WARNING 
CH3OCH3+CH3OCO<=>CH3OCH2+CH3OCHO                  +1.81200000E+004 +2.75000000E+000 +1.75300000E+001 !\Author: KPS !\Ref: DAMES, CNF, 2016 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>RH_RH
!___________________________________________________________________________________________________________ 
CH3OCH2+CH3O<=>CH3OCH3+CH2O                       +2.41000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: S.L. FISCHER, F.L. DRYER, H.J. CURRAN, INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 32(2000) 713-740. !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
CH3OCH2<=>CH3+CH2O                                +2.65900000E+029 -4.93580000E+000 +3.17855000E+004 !\Author: WARNING !\Ref: BURKE, CNF 2014 !\Comment: KPS 
PLOG /                           +1.00000000E-002 +7.49400000E+023 -4.51520000E+000 +2.52361000E+004 /
PLOG /                           +1.00000000E-001 +6.92100000E+028 -5.72710000E+000 +2.74949000E+004 /
PLOG /                           +1.00000000E+000 +4.22900000E+029 -5.61030000E+000 +2.88983000E+004 /
PLOG /                           +1.00000000E+001 +6.60800000E+027 -4.70730000E+000 +2.97352000E+004 /
PLOG /                           +1.00000000E+002 +2.65900000E+029 -4.93580000E+000 +3.17855000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CH3OCH2+O2<=>CH3OCH2O2                            +5.43000000E+017 -1.73000000E+000 +2.21000000E+003 !\Author: WARNING !\Ref: BURKE, CNF 2014 !\Comment: BASED ON T. YAMADA, J.W. BOZZELLI, T.H. LAY, INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 32(2000) 435-452 AND S.L. FISCHER, F.L. 
PLOG /                           +1.00000000E-003 +1.12000000E+018 -3.37000000E+000 -4.29400000E+003 /
PLOG /                           +1.00000000E-002 +1.33000000E+021 -3.95000000E+000 -2.61500000E+003 /
PLOG /                           +1.00000000E+000 +1.13000000E+028 -5.24000000E+000 +4.08800000E+003 /
PLOG /                           +2.00000000E+000 +3.91000000E+027 -5.00000000E+000 +4.51200000E+003 /
PLOG /                           +1.00000000E+001 +2.75000000E+024 -3.87000000E+000 +4.29000000E+003 /
PLOG /                           +2.00000000E+001 +2.97000000E+022 -3.23000000E+000 +3.78100000E+003 /
PLOG /                           +5.00000000E+001 +5.19000000E+019 -2.35000000E+000 +2.90800000E+003 /
PLOG /                           +1.00000000E+002 +5.43000000E+017 -1.73000000E+000 +2.21000000E+003 /
CH3OCH2+O2<=>CH2OCH2O2H                           +1.62000000E+020 -2.81000000E+000 +8.61900000E+003 !\Author: WARNING !\Ref: BURKE, CNF 2014 !\Comment: BASED ON T. YAMADA, J.W. BOZZELLI, T.H. LAY, INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 32(2000) 435-452 AND S.L. FISCHER, F.L. 
PLOG /                           +1.00000000E-003 +5.08000000E+020 -4.39000000E+000 +4.69000000E+002 /
PLOG /                           +1.00000000E-002 +5.47000000E+023 -4.96000000E+000 +2.18300000E+003 /
PLOG /                           +1.00000000E+000 +2.81000000E+028 -5.63000000E+000 +7.84800000E+003 /
PLOG /                           +2.00000000E+000 +5.19000000E+027 -5.33000000E+000 +8.14400000E+003 /
PLOG /                           +1.00000000E+001 +9.67000000E+024 -4.36000000E+000 +8.41700000E+003 /
PLOG /                           +2.00000000E+001 +4.08000000E+023 -3.90000000E+000 +8.49400000E+003 /
PLOG /                           +5.00000000E+001 +5.08000000E+021 -3.28000000E+000 +8.58500000E+003 /
PLOG /                           +1.00000000E+002 +1.62000000E+020 -2.81000000E+000 +8.61900000E+003 /
CH3OCH2+O2=>CH2O+CH2O+OH                          +2.41000000E+027 -4.55000000E+000 +1.61070000E+004 !\Author: WARNING !\Ref: BURKE, CNF 2014 !\Comment: BASED ON T. YAMADA, J.W. BOZZELLI, T.H. LAY, INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 32(2000) 435-452 AND S.L. FISCHER, F.L. 
PLOG /                           +1.00000000E-003 +8.01000000E+021 -3.18000000E+000 +3.06700000E+003 /
PLOG /                           +1.00000000E-002 +1.73000000E+023 -3.55000000E+000 +4.05000000E+003 /
PLOG /                           +1.00000000E+000 +2.04000000E+031 -5.76000000E+000 +1.15940000E+004 /
PLOG /                           +2.00000000E+000 +5.99000000E+031 -5.87000000E+000 +1.27100000E+004 /
PLOG /                           +1.00000000E+001 +9.39000000E+030 -5.59000000E+000 +1.45170000E+004 /
PLOG /                           +2.00000000E+001 +1.09000000E+030 -5.30000000E+000 +1.50510000E+004 /
PLOG /                           +5.00000000E+001 +3.58000000E+028 -4.88000000E+000 +1.56640000E+004 /
PLOG /                           +1.00000000E+002 +2.41000000E+027 -4.55000000E+000 +1.61070000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CH3OCH2O2=>CH2O+CH2O+OH                           +1.22000000E+030 -5.20000000E+000 +3.95490000E+004 !\Author: WARNING !\Ref: BURKE, CNF 2014 !\Comment: BASED ON T. YAMADA, J.W. BOZZELLI, T.H. LAY, INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 32(2000) 435-452 AND S.L. FISCHER, F.L. 
PLOG /                           +1.00000000E-003 +2.06000000E+036 -8.32000000E+000 +3.34150000E+004 /
PLOG /                           +1.00000000E-002 +2.07000000E+039 -8.86000000E+000 +3.58420000E+004 /
PLOG /                           +1.00000000E+000 +1.12000000E+040 -8.42000000E+000 +3.98350000E+004 /
PLOG /                           +2.00000000E+000 +9.72000000E+038 -8.04000000E+000 +3.99230000E+004 /
PLOG /                           +1.00000000E+001 +6.28000000E+035 -6.97000000E+000 +3.99000000E+004 /
PLOG /                           +2.00000000E+001 +1.60000000E+034 -6.46000000E+000 +3.98500000E+004 /
PLOG /                           +5.00000000E+001 +8.32000000E+031 -5.75000000E+000 +3.97190000E+004 /
PLOG /                           +1.00000000E+002 +1.22000000E+030 -5.20000000E+000 +3.95490000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>QOOH
!___________________________________________________________________________________________________________ 
CH3OCH2O2<=>CH2OCH2O2H                            +3.70000000E+014 -1.13000000E+000 +2.00340000E+004 !\Author: WARNING !\Ref: BURKE, CNF 2014 !\Comment: BASED ON T. YAMADA, J.W. BOZZELLI, T.H. LAY, INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 32(2000) 435-452 AND S.L. FISCHER, F.L. 
PLOG /                           +1.00000000E-003 +1.94000000E+029 -6.99000000E+000 +2.24460000E+004 /
PLOG /                           +1.00000000E-002 +4.07000000E+027 -6.16000000E+000 +2.16190000E+004 /
PLOG /                           +1.00000000E+000 +2.52000000E+025 -4.76000000E+000 +2.26910000E+004 /
PLOG /                           +2.00000000E+000 +5.97000000E+024 -4.48000000E+000 +2.28680000E+004 /
PLOG /                           +1.00000000E+001 +4.44000000E+021 -3.38000000E+000 +2.23860000E+004 /
PLOG /                           +2.00000000E+001 +4.52000000E+019 -2.74000000E+000 +2.18030000E+004 /
PLOG /                           +5.00000000E+001 +5.72000000E+016 -1.82000000E+000 +2.08290000E+004 /
PLOG /                           +1.00000000E+002 +3.70000000E+014 -1.13000000E+000 +2.00340000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CH2OCH2O2H=>CH2O+CH2O+OH                          +1.40000000E+022 -2.72000000E+000 +2.44070000E+004 !\Author: WARNING !\Ref: BURKE, CNF 2014 !\Comment: BASED ON T. YAMADA, J.W. BOZZELLI, T.H. LAY, INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 32(2000) 435-452 AND S.L. FISCHER, F.L. 
PLOG /                           +1.00000000E-003 +1.66000000E+023 -4.53000000E+000 +2.22430000E+004 /
PLOG /                           +1.00000000E-002 +5.30000000E+025 -4.93000000E+000 +2.41580000E+004 /
PLOG /                           +1.00000000E+000 +7.81000000E+022 -3.50000000E+000 +2.31560000E+004 /
PLOG /                           +2.00000000E+000 +4.98000000E+022 -3.35000000E+000 +2.30620000E+004 /
PLOG /                           +1.00000000E+001 +8.46000000E+022 -3.22000000E+000 +2.35590000E+004 /
PLOG /                           +2.00000000E+001 +9.09000000E+022 -3.14000000E+000 +2.38990000E+004 /
PLOG /                           +5.00000000E+001 +4.59000000E+022 -2.94000000E+000 +2.42620000E+004 /
PLOG /                           +1.00000000E+002 +1.40000000E+022 -2.72000000E+000 +2.44070000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
!CH2OCH2O2H+O2<=>O2CH2OCH2O2H                      +4.87000000E+012 -3.20000000E-001 +4.28000000E+002 !\Author: WARNING !\Ref: BURKE, CNF 2014 !\Comment: BASED ON T. YAMADA, J.W. BOZZELLI, T.H. LAY, INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 32(2000) 435-452 AND S.L. FISCHER, F.L. 
!PLOG /                           +1.00000000E-003 +9.42000000E+012 -1.68000000E+000 -4.99800000E+003 /
!PLOG /                           +1.00000000E-002 +8.16000000E+016 -2.50000000E+000 -2.75300000E+003 /
!PLOG /                           +1.00000000E+000 +1.06000000E+022 -3.30000000E+000 +3.38900000E+003 /
!PLOG /                           +2.00000000E+000 +3.48000000E+020 -2.79000000E+000 +3.13100000E+003 /
!PLOG /                           +1.00000000E+001 +2.86000000E+016 -1.48000000E+000 +1.87300000E+003 /
!PLOG /                           +2.00000000E+001 +8.55000000E+014 -1.01000000E+000 +1.31200000E+003 /
!PLOG /                           +5.00000000E+001 +2.68000000E+013 -5.40000000E-001 +7.27000000E+002 /
!PLOG /                           +1.00000000E+002 +4.87000000E+012 -3.20000000E-001 +4.28000000E+002 /

CH2OCH2O2H+O2=O2CH2OCH2O2H    4.87E12 -0.32 4.28E2 !\Author: WARNING !\Ref: BURKE, CNF 2014 !\Comment: BASED ON T. YAMADA, J.W. BOZZELLI, T.H. LAY, INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 32(2000) 435-452 a=a*0.8
    PLOG/1.0E-3	7.54E+12 -1.68E0 -4.998E3/
    PLOG/1.0E-2	6.53E+16 -2.5E0 -2.753E3/
    PLOG/1.0E0	8.48E+21 -3.3E0 3.389E3/
    PLOG/2.0E0 	2.78E+20 -2.79E0 3.131E3/
    PLOG/1.0E1 	2.29E+16 -1.48E0 1.873E3/
    PLOG/2.0E1 	6.84E+14 -1.01E0 1.312E3/
    PLOG/5.0E1 	2.14E+13 -5.4E-1 7.27E2/
    PLOG/1.0E2 	3.90E+12 -3.2E-1 4.28E2/

CH2OCH2O2H+O2<=>HO2CH2OCHO+OH                     +3.96000000E+018 -2.31000000E+000 +1.05000000E+004 !\Author: WARNING !\Ref: BURKE, CNF 2014 !\Comment: BASED ON T. YAMADA, J.W. BOZZELLI, T.H. LAY, INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 32(2000) 435-452 AND S.L. FISCHER, F.L 
PLOG /                           +1.00000000E-003 +5.90000000E+020 -2.88000000E+000 +3.23400000E+003 /
PLOG /                           +1.00000000E-002 +2.06000000E+023 -3.59000000E+000 +5.11600000E+003 /
PLOG /                           +1.00000000E+000 +4.45000000E+029 -5.29000000E+000 +1.27910000E+004 /
PLOG /                           +2.00000000E+000 +2.44000000E+028 -4.92000000E+000 +1.28910000E+004 /
PLOG /                           +1.00000000E+001 +9.42000000E+023 -3.68000000E+000 +1.20490000E+004 /
PLOG /                           +2.00000000E+001 +1.04000000E+022 -3.16000000E+000 +1.15050000E+004 /
PLOG /                           +5.00000000E+001 +6.95000000E+019 -2.60000000E+000 +1.08610000E+004 /
PLOG /                           +1.00000000E+002 +3.96000000E+018 -2.31000000E+000 +1.05000000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: O2QOOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
O2CH2OCH2O2H<=>HO2CH2OCHO+OH                      +3.86000000E+007 +9.80000000E-001 +1.74670000E+004 !\Author: WARNING !\Ref: BURKE, CNF 2014 !\Comment: BASED ON T. YAMADA, J.W. BOZZELLI, T.H. LAY, INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 32(2000) 435-452 AND S.L. FISCHER, F.L 
PLOG /                           +1.00000000E-003 +9.05000000E+023 -4.88000000E+000 +1.88050000E+004 /
PLOG /                           +1.00000000E-002 +6.84000000E+026 -5.32000000E+000 +2.25330000E+004 /
PLOG /                           +1.00000000E+000 +5.07000000E+016 -1.81000000E+000 +2.11750000E+004 /
PLOG /                           +2.00000000E+000 +2.66000000E+014 -1.11000000E+000 +2.03100000E+004 /
PLOG /                           +1.00000000E+001 +1.69000000E+010 +1.80000000E-001 +1.86040000E+004 /
PLOG /                           +2.00000000E+001 +1.11000000E+009 +5.40000000E-001 +1.81000000E+004 /
PLOG /                           +5.00000000E+001 +1.07000000E+008 +8.40000000E-001 +1.76610000E+004 /
PLOG /                           +1.00000000E+002 +3.86000000E+007 +9.80000000E-001 +1.74670000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2_RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CH3OCH2O2+CH3OCH2O2=>O2+CH3OCH2O+CH3OCH2O         +1.59600000E+023 -4.50000000E+000 +0.00000000E+000 !\Author: KPS !\Ref: DAMES, CNF, 2016 !\Comment: WARNING 
PLOG /                           +3.28900000E-002 +8.76820000E+020 -4.02060000E+000 -7.00070000E+002 /
PLOG /                           +6.57900000E-002 +9.10630000E+020 -3.98130000E+000 -7.00067000E+002 /
PLOG /                           +1.31580000E-001 +5.67034000E+023 -5.07465000E+000 -7.00067000E+002 /
PLOG /                           +2.63160000E-001 +5.36207000E+022 -4.64244000E+000 -7.00067000E+002 /
PLOG /                           +5.26316000E-001 +1.25374000E+021 -3.93198000E+000 -7.00067000E+002 /
PLOG /                           +7.89470000E-001 +4.37972000E+019 -3.33450000E+000 -7.00067000E+002 /
PLOG /                           +1.05263000E+000 +1.48289000E+020 -3.51727000E+000 -6.98022000E+002 /
PLOG /                           +1.00000000E+002 +1.59600000E+023 -4.50000000E+000 +0.00000000E+000 /
!DONG 0406!CH3OCH2O2+CH3OCH2O2=>O2+CH3OCHO+CH3OCH2OH         +6.84000000E+022 -4.50000000E+000 +0.00000000E+000 !\Author: KPS !\Ref: DAMES, CNF, 2016 !\Comment: WARNING 
!DONG 0406!PLOG /                           +3.28900000E-002 +3.75780000E+020 -4.02060000E+000 -7.00070000E+002 /
!DONG 0406!PLOG /                           +6.57900000E-002 +3.90270000E+020 -3.98130000E+000 -7.00067000E+002 /
!DONG 0406!PLOG /                           +1.31580000E-001 +2.43014000E+023 -5.07465000E+000 -7.00067000E+002 /
!DONG 0406!PLOG /                           +2.63160000E-001 +2.29803000E+022 -4.64244000E+000 -7.00067000E+002 /
!DONG 0406!PLOG /                           +5.26316000E-001 +5.37315000E+020 -3.93198000E+000 -7.00067000E+002 /
!DONG 0406!PLOG /                           +7.89470000E-001 +1.87702000E+019 -3.33450000E+000 -7.00067000E+002 /
!DONG 0406!PLOG /                           +1.05263000E+000 +6.35523000E+019 -3.51727000E+000 -6.98022000E+002 /
!DONG 0406!PLOG /                           +1.00000000E+002 +6.84000000E+022 -4.50000000E+000 +0.00000000E+000 /
!===========================================================================================================
!\SUBSPECIES: CH3OCH2O2H
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: KHP_HOMOLYTIC_FISSION
!___________________________________________________________________________________________________________ 
CH3OCH2O2H<=>CH3OCH2O+OH                          +2.10600000E+022 -2.12000000E+000 +4.38300000E+004 !\Author: KPS !\Ref: DAMES, CNF, 2016 !\Comment: ORIGINALLY FROM ZHAO MODEL 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
CH3OCH2O2+CH2O<=>CH3OCH2O2H+HCO                   +1.00000000E+012 +0.00000000E+000 +1.16600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: 1 / 2 CH3O2+CH2O<=>CH3O2H+HCO 
CH3OCH2O2+CH3CHO<=>CH3OCH2O2H+CH3CO               +2.80000000E+012 +0.00000000E+000 +1.36000000E+004 !\Author: WARNING !\Ref: S.L. FISCHER, F.L. DRYER, H.J. CURRAN, INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 32(2000) 713-740. !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: CH3OCH2O2H
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: HO2CH2OCHO
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: KHP_HOMOLYTIC_FISSION
!___________________________________________________________________________________________________________ 
HO2CH2OCHO<=>OCH2OCHO+OH                          +4.00000000E+015 +0.00000000E+000 +4.09000000E+004 !\Author: KPS, ADOPTED FROM DAMES 30 / 05 / 2016 !\Ref: WARNING !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: HO2CH2OCHO
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: OCH2OCHOHOCH2OCO
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ISOMERISATION
!___________________________________________________________________________________________________________ 
OCH2OCHO<=>HOCH2OCO                               +1.00000000E+011 +0.00000000E+000 +1.40000000E+004 !\Author: WARNING !\Ref: ESTIMATE WKM RECOMMENDATION 8 / 9 / 2010 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
OCH2OCHO<=>HOCHO+HCO                              +4.14700000E+014 -8.00000000E-001 +1.46300000E+004 !\Author: KPS !\Ref: DAMES, CNF, 2016 !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.64700000E+022 -4.50000000E+000 +1.36000000E+004 /
PLOG /                           +4.00000000E-003 +4.39800000E+023 -4.73000000E+000 +1.43000000E+004 /
PLOG /                           +1.80000000E-002 +1.14500000E+025 -4.96000000E+000 +1.51200000E+004 /
PLOG /                           +7.50000000E-002 +1.43900000E+026 -5.10000000E+000 +1.59600000E+004 /
PLOG /                           +3.16000000E-001 +2.36300000E+026 -4.97000000E+000 +1.66200000E+004 /
PLOG /                           +1.33400000E+000 +1.21300000E+025 -4.38000000E+000 +1.68100000E+004 /
PLOG /                           +5.62300000E+000 +1.34600000E+022 -3.31000000E+000 +1.64000000E+004 /
PLOG /                           +2.37140000E+001 +1.58300000E+018 -1.98000000E+000 +1.55400000E+004 /
PLOG /                           +1.00000000E+002 +4.14700000E+014 -8.00000000E-001 +1.46300000E+004 /
HOCH2OCO<=>CH2OH+CO2                              +1.11700000E+017 -1.52600000E+000 +2.07719000E+004 !\Author: WARNING !\Ref: REVERSE RATE CONSTANT OF S.L. FISCHER, F.L. DRYER, H.J. CURRAN, INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 32(2000) 713-740. !\Comment: WARNING 
HOCH2OCO<=>HOCH2O+CO                              +2.92000000E+018 -1.96500000E+000 +1.96190000E+004 !\Author: WARNING !\Ref: REVERSE RATE CONSTANT OF S.L. FISCHER, F.L. DRYER, H.J. CURRAN, INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 32(2000) 713-740. !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: OCH2OCHOHOCH2OCO
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: CH3OCH2O
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
CH3OCH2O<=>CH3OCHO+H                              +8.97400000E+020 -2.56000000E+000 +1.48400000E+004 !\Author: KPS !\Ref: DAMES, CNF, 2016 !\Comment: PATHWAY FORMING CH3O+CH2O NO LONGER INCLUDED AS PER DAMES MECHANISM 
PLOG /                           +1.00000000E-003 +1.42600000E+017 -3.03000000E+000 +9.58000000E+003 /
PLOG /                           +4.00000000E-003 +1.42700000E+019 -3.44000000E+000 +1.05400000E+004 /
PLOG /                           +1.80000000E-002 +1.56000000E+021 -3.86000000E+000 +1.15500000E+004 /
PLOG /                           +7.50000000E-002 +1.52200000E+023 -4.26000000E+000 +1.26000000E+004 /
PLOG /                           +3.16000000E-001 +8.85700000E+024 -4.59000000E+000 +1.36500000E+004 /
PLOG /                           +1.33400000E+000 +1.39500000E+026 -4.75000000E+000 +1.46000000E+004 /
PLOG /                           +5.62300000E+000 +1.62800000E+026 -4.56000000E+000 +1.52500000E+004 /
PLOG /                           +2.37140000E+001 +3.44800000E+024 -3.85000000E+000 +1.53800000E+004 /
PLOG /                           +1.00000000E+002 +8.97400000E+020 -2.56000000E+000 +1.48400000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>RH+RH
!___________________________________________________________________________________________________________ 
CH3OCH2O+O2<=>CH3OCHO+HO2                         +5.00000000E+010 +0.00000000E+000 +5.00000000E+002 !\Author: KPS !\Ref: DAMES, CNF, 2016 !\Comment: ORIGINALLY FROM ZHAO MODEL 
CH3OCH2O+CH3OCH2<=>CH3OCHO+CH3OCH3                +9.64000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: KPS !\Ref: DAMES, CNF, 2016 !\Comment: WARNING 
CH3OCH2O+CH3OCH2O2<=>CH3OCHO+CH3OCH2O2H           +1.37000000E+010 +1.00400000E+000 +1.53000000E-001 !\Author: KPS !\Ref: DAMES, CNF, 2016 !\Comment: WARNING 
CH3OCH2O+CH2OCH2O2H<=>CH3OCHO+CH3OCH2O2H          +9.64000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: KPS !\Ref: DAMES, CNF, 2016 !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: CH3OCH2O
!===========================================================================================================
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: CH3OCH3
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: CH3OCHO
!\MECHCOMMENTS: KPS, 30 / 07 / 2015, ANALOGIES SEEM DATED. SHOULD BE UPDATED AT SOME STAGE
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CH3O+HCO<=>CH3OCHO                                +3.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: FISHER, E.M. ET AL., PROC. COMB. INST., VOL. 28, 2000. !\Comment: ULTAN REMOVED 21 / 08 / 15 
CH3O+HCO<=>CH3OH+CO                               +9.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: FRIEDRICHS, G.; DAVIDSON, D. F.; HANSON, R. K. INT J. CHEM. KINET. 2004, 36, 157. !\Comment: ULTAN ADDED 21 / 08 / 15 
CH3+OCHO<=>CH3OCHO                                +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
CH2OCHO+H<=>CH3OCHO                               +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: FISHER, E.M. ET AL., PROC. COMB. INST., VOL. 28, 2000. !\Comment: WARNING 
CH3OCO+H<=>CH3OCHO                                +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: FISHER, E.M. ET AL., PROC. COMB. INST., VOL. 28, 2000. !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
CH3OCHO+O2<=>CH3OCO+HO2                           +1.00000000E+013 +0.00000000E+000 +4.97000000E+004 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
CH3OCHO+OH<=>CH3OCO+H2O                           +1.58000000E+007 +1.80000000E+000 +9.34000000E+002 !\Author: WARNING !\Ref: ANOLOGY TO PROPANE !\Comment: WARNING 
CH3OCHO+HO2<=>CH3OCO+H2O2                         +4.82000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: CURRAN ESTIMATE TSANG '88 PRIMARY H !\Comment: WARNING 
CH3OCHO+O<=>CH3OCO+OH                             +2.75500000E+005 +2.45000000E+000 +2.83000000E+003 !\Author: WARNING !\Ref: TSANG, W. J. PHYS. CHEM. REF. DATA 17, 887(1988) !\Comment: WARNING 
CH3OCHO+H<=>CH3OCO+H2                             +6.50000000E+005 +2.40000000E+000 +4.47100000E+003 !\Author: WARNING !\Ref: TSANG, W. J. PHYS. CHEM. REF. DATA 17, 887(1988) !\Comment: WARNING 
CH3OCHO+CH3<=>CH3OCO+CH4                          +7.55000000E-001 +3.46000000E+000 +5.48100000E+003 !\Author: WARNING !\Ref: TSANG, W. J. PHYS. CHEM. REF. DATA 17, 887(1988) !\Comment: WARNING 
CH3OCHO+CH3O<=>CH3OCO+CH3OH                       +5.48000000E+011 +0.00000000E+000 +5.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
CH3OCHO+CH3O2<=>CH3OCO+CH3O2H                     +4.82000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: ANOLOGY WITH HO2 !\Comment: WARNING 
CH3OCHO+HCO<=>CH3OCO+CH2O                         +5.40000000E+006 +1.90000000E+000 +1.70100000E+004 !\Author: WARNING !\Ref: TSANG, W. J. PHYS. CHEM. REF. DATA 17, 887(1988) !\Comment: WARNING 
CH3OCO+CH3OCH2O2H<=>CH3OCHO+CH2OCH2O2H            +9.06000000E+003 +2.75000000E+000 +1.75300000E+001 !\Author: KPS !\Ref: DAMES, CNF, 2016 !\Comment: WARNING 
CH3OCHO+O2<=>CH2OCHO+HO2                          +2.05000000E+013 +0.00000000E+000 +5.20000000E+004 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
CH3OCHO+OH<=>CH2OCHO+H2O                          +5.27000000E+009 +9.70000000E-001 +1.58600000E+003 !\Author: WARNING !\Ref: ANOLOGY TO PROPANE !\Comment: WARNING 
CH3OCHO+HO2<=>CH2OCHO+H2O2                        +2.38000000E+004 +2.55000000E+000 +1.64900000E+004 !\Author: WARNING !\Ref: CURRAN ESTIMATE TSANG '88 PRIMARY H !\Comment: WARNING 
CH3OCHO+O<=>CH2OCHO+OH                            +9.80000000E+005 +2.43000000E+000 +4.75000000E+003 !\Author: WARNING !\Ref: FIT TO COHEN / WESTBERG '86 !\Comment: WARNING 
CH3OCHO+H<=>CH2OCHO+H2                            +6.65000000E+005 +2.54000000E+000 +6.75600000E+003 !\Author: WARNING !\Ref: TSANG, W. J. PHYS. CHEM. REF. DATA 17, 887(1988) !\Comment: WARNING 
CH3OCHO+CH3<=>CH2OCHO+CH4                         +4.52000000E-001 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: TSANG, W. J. PHYS. CHEM. REF. DATA 17, 887(1988) !\Comment: WARNING 
CH3OCHO+CH3O<=>CH2OCHO+CH3OH                      +2.17000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
CH3OCHO+CH3O2<=>CH2OCHO+CH3O2H                    +2.38000000E+004 +2.55000000E+000 +1.64900000E+004 !\Author: WARNING !\Ref: ANOLOGY WITH HO2 !\Comment: WARNING 
CH3OCHO+HCO<=>CH2OCHO+CH2O                        +1.02500000E+005 +2.50000000E+000 +1.84300000E+004 !\Author: WARNING !\Ref: TSANG, W. J. PHYS. CHEM. REF. DATA 17, 887(1988) !\Comment: WARNING 
CH2OCHO+CH3OCH2O2H<=>CH3OCHO+CH2OCH2O2H           +4.43300000E-003 +4.36800000E+000 +1.32350000E+001 !\Author: KPS !\Ref: DAMES, CNF, 2016 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CH2OCHO+HO2CH2OCHO=>CH3OCHO+HO2+2HCO              +2.95900000E-003 +4.24100000E+000 +5.00400000E+000 !\Author: KPS !\Ref: DAMES, CNF, 2016 !\Comment: WARNING 
CH3OCO+HO2CH2OCHO=>CH3OCHO+HO2+2HCO               +1.18000000E+008 +1.35000000E+000 +2.60300000E+001 !\Author: KPS !\Ref: DAMES, CNF, 2016 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONCH3
!___________________________________________________________________________________________________________ 
CH3OCH3+HCO<=>CH3OCHO+CH3                         +2.03400000E+000 +3.66200000E+000 +2.99590000E+001 !\Author: KPS !\Ref: DAMES, CNF, 2016 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ALPHA_SCISSION
!___________________________________________________________________________________________________________ 
CH3OCO<=>CH3+CO2                                  +8.69000000E+017 -1.81000000E+000 +1.36567000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: ISOMERISATION PATHWAY OF CH3OCO<=>CH2OCHO NO LONGER INCLUDED AS IN DAMES MECHANISM 
PLOG /                           +5.00000000E-002 +9.72000000E+012 -1.31000000E+000 +9.41670000E+003 /
PLOG /                           +1.00000000E+000 +1.25000000E+016 -1.83000000E+000 +1.13408000E+004 /
PLOG /                           +1.00000000E+001 +1.04000000E+018 -2.10000000E+000 +1.28269000E+004 /
PLOG /                           +1.00000000E+002 +8.69000000E+017 -1.81000000E+000 +1.36567000E+004 /
CH3OCO<=>CH3O+CO                                  +2.82500000E+022 -3.44000000E+000 +2.35924000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: ISOMERISATION PATHWAY OF CH3OCO<=>CH2OCHO NO LONGER INCLUDED AS IN DAMES MECHANISM 
PLOG /                           +5.00000000E-002 +1.03000000E+003 +1.29000000E+000 +2.54010000E+004 /
PLOG /                           +1.00000000E+000 +4.09000000E+005 +8.10000000E-001 +2.19691000E+004 /
PLOG /                           +1.00000000E+001 +9.02000000E+014 -1.72000000E+000 +2.17675000E+004 /
PLOG /                           +1.00000000E+002 +2.82500000E+022 -3.44000000E+000 +2.35924000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
CH2OCHO<=>CH2O+HCO                                +1.10500000E+017 -1.21000000E+000 +3.36100000E+004 !\Author: KPS !\Ref: DAMES, CNF, 2016 !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +8.27300000E+036 -8.38000000E+000 +3.65900000E+004 /
PLOG /                           +4.00000000E-003 +8.01900000E+036 -8.18000000E+000 +3.71800000E+004 /
PLOG /                           +1.80000000E-002 +1.54800000E+036 -7.77000000E+000 +3.75600000E+004 /
PLOG /                           +7.50000000E-002 +3.74400000E+034 -7.10000000E+000 +3.76300000E+004 /
PLOG /                           +3.16000000E-001 +9.93100000E+031 -6.16000000E+000 +3.73300000E+004 /
PLOG /                           +1.33400000E+000 +3.99900000E+028 -4.99000000E+000 +3.66700000E+004 /
PLOG /                           +5.62300000E+000 +5.00700000E+024 -3.69000000E+000 +3.57400000E+004 /
PLOG /                           +2.37140000E+001 +5.00700000E+020 -2.38000000E+000 +3.46700000E+004 /
PLOG /                           +1.00000000E+002 +1.10500000E+017 -1.21000000E+000 +3.36100000E+004 /

!______________________________________________________________________________
!\REACTIONCLASS: \UNIMOL                            \A             \N        \EA  
!______________________________________________________________________________
C3H8(+M)<=>CH3+C2H5(+M)                                      +1.2900000E+037 -5.8400000E+000 +9.7380000E+004   !\AUTHOR: !\REF:OEHSCHLAEGER ET AL., PROC COMB INST 30 (2005) 1119-1127 !\COMMENT: 
LOW /                                                        +5.6400000E+074 -1.5740000E+001 +9.8714000E+004 / !\LOW-PRESSURE-LIMIT
TROE /                                       +3.1000000E-001 +5.0000000E+001 +3.0000000E+003 +9.0000000E+003 / !\TROE PARAMETERS
!H2 / 2.000 / H2O / 6.000 / AR / 0.700 / CO / 1.500 / CO2 / 2.000 / CH4 / 2.000 / C2H6 / 3.000 / HE / 0.700 /  !\3RD BODY COLLIDER EFFICIENCIE
H2 / 3.000 / H2O / 9.000 / CO / 2.200 / CO2 / 2.900 / CH4 / 2.900 / C2H6 / 4.300 / N2 / 1.5 / HE / 0.7 / !\3RD BODY COLLIDER EFFICIENCIE

NC3H7+H(+M)<=>C3H8(+M)                            +3.60000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: TSANG, W. J.PHYS.CHEM.REF.DATA 1988, 17, 887 !\Comment: WARNING 
LOW /                                             +3.01000000E+048 -9.32000000E+000 +5.83360000E+003 /
TROE /                           +4.98000000E-001 +1.31400000E+003 +1.31400000E+003 +5.00000000E+004 /
H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
IC3H7+H<=>C3H8                                    +1.66000000E+013 +2.20000000E-001 +0.00000000E+000 !\Author: SP !\Ref: HARDING ET AL., J. PHYS. CHEM. A, 2005, 109(21), PP 4646-4656 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2+RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 

NC3H7O2+CH3O2=>NC3H7O+CH3O+O2    2.016E+11		0.0      0.0
NC3H7O2+CH3O2=>NC3H7OH+CH2O+O2   2.24E10 0.0 0.0E0
NC3H7O2+C2H5O2=>NC3H7O+C2H5O+O2    3.366E+10		0.0      0.0
NC3H7O2+C2H5O2=>NC3H7OH+CH3CHO+O2   3.74E9 0.0 0.0E0


!NC3H7O2+NC3H7O2=>NC3H7O+NC3H7O+O2                 +7.00000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
NC3H7O2+IC3H7O2=>NC3H7O+IC3H7O+O2                 +4.00000000E+009 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: JOHNSON, D.; PRICE, D.W.; MARSTON, G.; ATMOS. ENVIRON. 38(2004) 1447 - 1458 !\Comment: WARNING 
NC3H7O2+CH3CO3=>NC3H7O+CH3CO2+O2                  +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
	
!nC3H7OO+CH3OO=nC3H7O+CH3O+O2			1.12E+11		0.0      0.0	
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
NC3H7O2+CH3<=>NC3H7O+CH3O                         +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
NC3H7O2+C2H5<=>NC3H7O+C2H5O                       +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
NC3H7O2+IC3H7<=>NC3H7O+IC3H7O                     +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
NC3H7O2+NC3H7<=>NC3H7O+NC3H7O                     +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
NC3H7O2+C3H5-A<=>NC3H7O+C3H5O                     +2.60000000E+013 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C3H8+IC3H7<=>NC3H7+C3H8                           +8.44000000E-003 +4.20000000E+000 +8.72400000E+003 !\Author: SP !\Ref: TSANG, W. J. PHYS. CHEM. REF. DATA 17, 887(1988) !\Comment: WARNING 
C3H8+O2<=>NC3H7+HO2                               +3.97000000E+013 +0.00000000E+000 +5.09000000E+004 !\Author: SP !\Ref: TSANG 1988 !\Comment: WARNING 
!C3H8+H<=>NC3H7+H2                                 +1.29000000E+004 +2.93000000E+000 +5.24568000E+003 !\Author: SP WARNING !\Ref: SIVARAMAKRISHNAN ET AL., INT. J. CHEMICAL KINETIC 44.3(2012) !\Comment: WARNING 
!DUP
!C3H8+H<=>NC3H7+H2                                 +1.47000000E+010 +1.31000000E+000 +1.03000000E+004 !\Author: SP WARNING !\Ref: SIVARAMAKRISHNAN ET AL., INT. J. CHEMICAL KINETIC 44.3(2012) !\Comment: WARNING 
!DUP

C3H8+H<=>NC3H7+H2    7.70E+06	2.25	7428 !\Author: SP WARNING !\Ref: von Horsten, J. Chem. Phys. 135, 094311 (2011) !\Comment: WARNING 
C3H8+H<=>IC3H7+H2     6.10E+06	2.22E+00 4.96E+03!\Author: SP WARNING !\Ref:1.2*A SIVARAMAKRISHNAN ET AL., INT. J. CHEMICAL KINETIC 44.3(2012

!C3H8+H<=>IC3H7+H2                                 +3.06000000E+004 +2.80000000E+000 +3.47327600E+003 !\Author: SP WARNING !\Ref: SIVARAMAKRISHNAN ET AL., INT. J. CHEMICAL KINETIC 44.3(2012) !\Comment: WARNING 
!DUP
!C3H8+H<=>IC3H7+H2                                 +5.73000000E+013 +1.00000000E-001 +1.06000000E+004 !\Author: SP WARNING !\Ref: SIVARAMAKRISHNAN ET AL., INT. J. CHEMICAL KINETIC 44.3(2012) !\Comment: WARNING 
!DUP
C3H8+O<=>NC3H7+OH                                 +3.71000000E+006 +2.40000000E+000 +5.50500000E+003 !\Author: WARNING !\Ref: COHEN, N.; WESTBERG, K.R., THE USE OF TRANSITION-STATE THEORY TO EXTRAPOLATE RATE COEFFICIENTS FOR REACTIONS OF O ATOMS WITH ALKANES, INT. J. CHEM. KINET., 99-140(1986) !\Comment: WARNING 
C3H8+OH<=>NC3H7+H2O                               +6.86508000E+006 +2.00000000E+000 +6.77308690E+002 !\Author: SP !\Ref: FAROOQ ET AL., SITE-SPECIFIC RATE CONSTANT MEASUREMENTS FOR PRIMARY AND SECONDARY H-ABSTRACTION BY OH RADICALS !\Comment: WARNING 
C3H8+OH<=>IC3H7+H2O                            1.34E+07	1.827	-196.85  !\Author: SP !\Ref: NEW FIT !\Comment: WARNING 
C3H8+HO2<=>NC3H7+H2O2                             +2.08000000E+001 +3.59000000E+000 +1.56000000E+004 !\Author: SP !\Ref: 60% OF NEW FIT !\Comment: WARNING 
C3H8+HO2<=>IC3H7+H2O2                             +6.32000000E+001 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: J. AGUILERA-IPARRAGUIRRE ET AL. J PHYS CHEM A(2008) 112(30) !\Comment: WARNING 
C3H8+CH3<=>IC3H7+CH4                              +1.51000000E+000 +3.46000000E+000 +5.48000000E+003 !\Author: WARNING !\Ref: FIT TO NIST DATABASE !\Comment: WARNING 
C3H8+CH3<=>NC3H7+CH4                              +3.45000000E+001 +3.44000000E+000 +1.04000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H8+C2H3<=>NC3H7+C2H4                            +8.40000000E+002 +3.05000000E+000 +6.00000000E+003 !\Author: SP !\Ref: RAMAN, CARSTENSEN, INT J CHEM KINET 44.5(2012) !\Comment: WARNING 
C3H8+C2H5<=>NC3H7+C2H6                            +3.13200000E-001 +3.76000000E+000 +9.58580000E+003 !\Author: SP !\Ref: RATKIEWICZ, HUYNH, PHAM, TRUONG, THEOR CHEM ACC(2013) 132 !\Comment: WARNING 
C3H8+C3H5-A<=>NC3H7+C3H6                          +7.94000000E+011 +0.00000000E+000 +2.05000000E+004 !\Author: WARNING !\Ref: DAGAUT ET AL., CST 71, 111(1990) !\Comment: WARNING 
!C3H8+CH3O<=>NC3H7+CH3OH                           +3.00000000E+011 +0.00000000E+000 +7.00000000E+003 !\Author: WARNING !\Ref: DRYER ESTIMATE !\Comment: WARNING 

C3H8+CH3O<=>NC3H7+CH3OH          4.340E+11   0.000   6458
C3H8+CH3O<=>IC3H7+CH3OH        1.450E+11   0.000   4571

C3H8+CH3O2<=>NC3H7+CH3O2H                         +6.71000000E+000 +3.72000000E+000 +1.69000000E+004 !\Author: SP !\Ref: H-H CARSTENSEN, A.M. DEAN, O. DEUTSCHMANN, PROC. COMBUST. INST. 31(2007) 149-157 !\Comment: WARNING 
C3H8+C2H5O2<=>NC3H7+C2H5O2H                       +7.14000000E+000 +3.65000000E+000 +1.71000000E+004 !\Author: SP !\Ref: H-H CARSTENSEN, A.M. DEAN, O. DEUTSCHMANN, PROC. COMBUST. INST. 31(2007) 149-157 !\Comment: WARNING 
C3H8+NC3H7O2<=>NC3H7+NC3H7O2H                     +7.14000000E+000 +3.65000000E+000 +1.71000000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H6+C2H5O2 !\Comment: WARNING 
C3H8+IC3H7O2<=>NC3H7+IC3H7O2H                     +7.14000000E+000 +3.65000000E+000 +1.71000000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H6+C2H5O2 !\Comment: WARNING 
C3H8+CH3CO3<=>NC3H7+CH3CO3H                       +2.08000000E+001 +3.59000000E+000 +1.56000000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H6+HO2 !\Comment: WARNING 
C3H8+O2CHO<=>NC3H7+HO2CHO                         +2.08000000E+001 +3.59000000E+000 +1.56000000E+004 !\Author: SP !\Ref: HO2 !\Comment: WARNING 
C3H8+O2<=>IC3H7+HO2                               +3.97000000E+013 +0.00000000E+000 +4.77000000E+004 !\Author: SP ! !\Ref: TSANG 1988 !\Comment: WARNING 
C3H8+O<=>IC3H7+OH                                 +5.49000000E+005 +2.50000000E+000 +3.14000000E+003 !\Author: WARNING !\Ref: COHEN, N.; WESTBERG, K.R. INT. J. CHEM. KINET., 99-140(1986) !\Comment: WARNING 
C3H8+C2H3<=>IC3H7+C2H4                            +1.02000000E+003 +2.92000000E+000 +4.20000000E+003 !\Author: SP !\Ref: RAMAN, CARSTENSEN, INT J CHEM KINET 44.5(2012) !\Comment: WARNING 
C3H8+C2H5<=>IC3H7+C2H6                            +1.56600000E-001 +3.71000000E+000 +6.55540000E+003 !\Author: SP !\Ref: RATKIEWICZ, HUYNH, PHAM, TRUONG, THEOR CHEM ACC(2013) 132 !\Comment: WARNING 
C3H8+C3H5-A<=>IC3H7+C3H6                          +7.94000000E+011 +0.00000000E+000 +1.62000000E+004 !\Author: WARNING !\Ref: DAGAUT ET AL., CST 71, 111(1990) !\Comment: WARNING 
!C3H8+CH3O<=>IC3H7+CH3OH                           +3.00000000E+011 +0.00000000E+000 +7.00000000E+003 !\Author: WARNING !\Ref: DRYER ESTIMATE !\Comment: WARNING 
C3H8+C2H5O2<=>IC3H7+C2H5O2H                       +4.02000000E+001 +3.41000000E+000 +1.41000000E+004 !\Author: SP !\Ref: H-H CARSTENSEN, A.M. DEAN, O. DEUTSCHMANN, PROC. COMBUST. INST. 31(2007) 149-157 !\Comment: WARNING 
C3H8+CH3O2<=>IC3H7+CH3O2H                         +4.02000000E+001 +3.41000000E+000 +1.41000000E+004 !\Author: SP !\Ref: C2H5O2 !\Comment: WARNING 
C3H8+NC3H7O2<=>IC3H7+NC3H7O2H                     +2.00000000E+012 +0.00000000E+000 +1.70000000E+004 !\Author: WARNING !\Ref: WALKER, R. W., REACTION KINETICS, VOL. 1, S. P. R. CHEMICAL SOCIETY, 1975 !\Comment: WARNING 
C3H8+CH3CO3<=>IC3H7+CH3CO3H                       +6.32000000E+001 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H8+O2CHO<=>IC3H7+HO2CHO                         +6.32000000E+001 +3.37000000E+000 +1.37200000E+004 !\Author: HO2 !\Ref: WARNING !\Comment: WARNING 
C3H8+IC3H7O2<=>IC3H7+IC3H7O2H                     +2.00000000E+012 +0.00000000E+000 +1.70000000E+004 !\Author: WARNING !\Ref: WALKER, R. W., REACTION KINETICS, VOL. 1, S. P. R. CHEMICAL SOCIETY, 1975 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>PRODUCTS
!___________________________________________________________________________________________________________ 
IC3H7+H<=>C2H5+CH3                                +2.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: GLAUDE,P.A. ET AL,PROC. COMBUST. INST !\Comment: WARNING 
IC3H7+OH<=>C3H6+H2O                               +2.41000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: TSANG, W. J. PHYS. CHEM. REF. DATA 17, 887(1988) !\Comment: WARNING 
IC3H7+O<=>CH3COCH3+H                              +4.10000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: HOYERMANN, ET AL PCI 33, 283-291(2011) !\Comment: WARNING 
IC3H7+O<=>CH3CHO+CH3                              +4.56000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: HOYERMANN, ET AL PCI 33, 283-291(2011) !\Comment: WARNING 
IC3H7+O<=>C3H6+OH                                 +2.74000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: HOYERMANN, ET AL PCI 33, 283-291(2011) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
NC3H7+HO2<=>NC3H7O+OH                             +2.58000000E+016 -1.17800000E+000 +1.14800000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7+CH3O2<=>NC3H7O+CH3O                         +2.58000000E+016 -1.17800000E+000 +1.14800000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC3H7+HO2<=>IC3H7O+OH                             +2.58000000E+016 -1.17800000E+000 +1.14800000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC3H7+CH3O2<=>IC3H7O+CH3O                         +2.58000000E+016 -1.17800000E+000 +1.14800000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
O2+NC3H7<=>HO2+C3H6                               +7.37000000E+002 +2.71000000E+000 +5.49647000E+003 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.05000000E+010 +2.06000000E-002 +5.01905000E+002 /
PLOG /                           +1.00000000E-001 +7.47000000E+015 -1.45000000E+000 +4.11290000E+003 /
PLOG /                           +1.00000000E+000 +1.18000000E+019 -2.35000000E+000 +7.29953000E+003 /
PLOG /                           +1.00000000E+001 +2.63000000E+000 +3.46000000E+000 +2.48117000E+003 /
PLOG /                           +1.00000000E+002 +7.37000000E+002 +2.71000000E+000 +5.49647000E+003 /
O2+IC3H7<=>HO2+C3H6                               +9.84000000E+007 +1.34000000E+000 +5.37912000E+003 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.91000000E+009 +4.28000000E-001 -1.43857000E+003 /
PLOG /                           +1.00000000E-001 +1.60000000E+014 -8.45000000E-001 +1.42377000E+003 /
PLOG /                           +1.00000000E+000 +4.05000000E+018 -2.07000000E+000 +4.97147000E+003 /
PLOG /                           +1.00000000E+001 +4.91000000E+017 -1.66000000E+000 +6.96404000E+003 /
PLOG /                           +1.00000000E+002 +9.84000000E+007 +1.34000000E+000 +5.37912000E+003 /
O2+NC3H7<=>C3H6OOH1-2                             +7.63000000E+016 -2.30000000E+000 +9.03614000E+003 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.97000000E+015 -2.84000000E+000 +3.56751000E+003 /
PLOG /                           +1.00000000E-001 +2.64000000E+012 -1.58000000E+000 +3.36232000E+003 /
PLOG /                           +1.00000000E+000 +2.78000000E+002 +1.63000000E+000 -4.92364000E+002 /
PLOG /                           +1.00000000E+001 +1.30000000E+014 -1.73000000E+000 +5.16366000E+003 /
PLOG /                           +1.00000000E+002 +7.63000000E+016 -2.30000000E+000 +9.03614000E+003 /
O2+NC3H7<=>C3H6OOH1-3                             +6.58000000E-015 +7.80000000E+000 -3.43101000E+003 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.09000000E+146 -4.59000000E+001 +3.12822000E+004 /
PLOG /                           +1.00000000E-002 +6.19000000E+008 +8.78000000E-001 +1.11866000E+004 /
PLOG /                           +1.00000000E-001 +1.26000000E+047 -1.24000000E+001 +8.20313000E+003 /
PLOG /                           +1.00000000E-001 +1.12000000E+014 -5.31000000E-001 +1.38975000E+004 /
PLOG /                           +1.00000000E+000 +1.30000000E+023 -4.03000000E+000 +5.08867000E+003 /
PLOG /                           +1.00000000E+000 +2.07000000E+014 -4.00000000E-001 +1.51581000E+004 /
PLOG /                           +1.00000000E+001 +3.94000000E-018 +8.88000000E+000 -6.19970000E+003 /
PLOG /                           +1.00000000E+001 +1.02000000E+021 -2.26000000E+000 +1.85540000E+004 /
PLOG /                           +1.00000000E+002 +6.58000000E-015 +7.80000000E+000 -3.43101000E+003 /
PLOG /                           +1.00000000E+002 +1.05000000E+015 -4.86000000E-001 +1.58767000E+004 /
O2+NC3H7<=>OH+C3H6O1-2                            +3.05000000E+008 +9.19000000E-001 +1.10484000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +7.98000000E+007 +5.96000000E-001 -6.35854000E+001 /
PLOG /                           +1.00000000E-001 +1.97000000E+013 -9.39000000E-001 +3.66419000E+003 /
PLOG /                           +1.00000000E+000 +1.73000000E+017 -2.05000000E+000 +7.25103000E+003 /
PLOG /                           +1.00000000E+001 +3.35000000E+002 +2.61000000E+000 +4.69739000E+003 /
PLOG /                           +1.00000000E+002 +3.05000000E+008 +9.19000000E-001 +1.10484000E+004 /
O2+IC3H7<=>C3H6OOH2-1                             +3.56000000E+010 -1.16000000E-001 +7.05645000E+003 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.86000000E+010 -1.56000000E+000 -7.08183000E+002 /
PLOG /                           +1.00000000E-001 +3.76000000E+011 -1.48000000E+000 +4.70031000E+002 /
PLOG /                           +1.00000000E+000 +4.08000000E+012 -1.45000000E+000 +2.16878000E+003 /
PLOG /                           +1.00000000E+001 +1.13000000E+014 -1.50000000E+000 +5.25342000E+003 /
PLOG /                           +1.00000000E+002 +3.56000000E+010 -1.16000000E-001 +7.05645000E+003 /
O2+IC3H7<=>OH+C3H6O1-2                            +1.35000000E+014 -8.32000000E-001 +1.26015000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +7.43000000E+002 +2.04000000E+000 -2.16311000E+003 /
PLOG /                           +1.00000000E-001 +3.03000000E+007 +7.08000000E-001 +6.92028000E+002 /
PLOG /                           +1.00000000E+000 +4.00000000E+013 -1.03000000E+000 +5.01464000E+003 /
PLOG /                           +1.00000000E+001 +2.81000000E+018 -2.31000000E+000 +1.01193000E+004 /
PLOG /                           +1.00000000E+002 +1.35000000E+014 -8.32000000E-001 +1.26015000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>RO2
!___________________________________________________________________________________________________________ 
O2+NC3H7<=>NC3H7O2                                +2.07001000E+016 -1.30000000E+000 +8.03419000E+002 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +9.20000000E+008 +4.05000000E-001 -4.39865000E+003 /
PLOG /                           +1.00000000E-001 +1.45001000E+014 -9.84000000E-001 -1.71080000E+003 /
PLOG /                           +1.00000000E+000 +2.09001000E+013 -4.99000000E-001 -9.38423000E+002 /
PLOG /                           +1.00000000E+001 +1.15001000E+020 -2.42000000E+000 +2.45126000E+003 /
PLOG /                           +1.00000000E+002 +2.07001000E+016 -1.30000000E+000 +8.03419000E+002 /
O2+IC3H7<=>IC3H7O2                                +1.67000000E+029 -5.15000000E+000 +5.03645000E+003 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +7.33000000E+005 +1.33000000E+000 -6.34564000E+003 /
PLOG /                           +1.00000000E-001 +2.24000000E+011 -1.05000000E-001 -3.69787000E+003 /
PLOG /                           +1.00000000E+000 +1.54000000E+018 -2.02000000E+000 -4.98567000E+002 /
PLOG /                           +1.00000000E+001 +6.74000000E+027 -4.85000000E+000 +3.77982000E+003 /
PLOG /                           +1.00000000E+002 +1.67000000E+029 -5.15000000E+000 +5.03645000E+003 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>ALKENE_HO2
!___________________________________________________________________________________________________________ 

IC3H7O2<=>C3H6+HO2                                +6.40000000E+025 -4.02000000E+000 +3.49139000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.61000000E+075 -2.06000000E+001 +4.62030000E+004 /
PLOG /                           +1.00000000E-001 +1.72000000E+066 -1.73000000E+001 +4.54589000E+004 /
PLOG /                           +1.00000000E+000 +4.03000000E+056 -1.40000000E+001 +4.40102000E+004 /
PLOG /                           +1.00000000E+001 +1.29000000E+040 -8.58000000E+000 +3.94186000E+004 /
PLOG /                           +1.00000000E+002 +6.40000000E+025 -4.02000000E+000 +3.49139000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
NC3H7O2<=>OH+C3H6O1-2                             +7.93000000E+033 -6.68000000E+000 +4.37971000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.09000000E+047 -1.26000000E+001 +3.66774000E+004 /
PLOG /                           +1.00000000E-001 +5.45000000E+052 -1.37000000E+001 +4.06341000E+004 /
PLOG /                           +1.00000000E+000 +7.59000000E+033 -7.28000000E+000 +3.75640000E+004 /
PLOG /                           +1.00000000E+001 +3.28000000E+021 -2.88000000E+000 +3.73428000E+004 /
PLOG /                           +1.00000000E+002 +7.93000000E+033 -6.68000000E+000 +4.37971000E+004 /
IC3H7O2<=>OH+C3H6O1-2                             +7.60000000E+036 -7.67000000E+000 +4.65002000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.67000000E+087 -2.53000000E+001 +5.10301000E+004 /
PLOG /                           +1.00000000E-001 +1.24000000E+072 -1.98000000E+001 +4.91111000E+004 /
PLOG /                           +1.00000000E+000 +1.35000000E+067 -1.77000000E+001 +5.08045000E+004 /
PLOG /                           +1.00000000E+001 +1.94000000E+053 -1.30000000E+001 +4.93824000E+004 /
PLOG /                           +1.00000000E+002 +7.60000000E+036 -7.67000000E+000 +4.65002000E+004 /
NC3H7O2<=>OH+C2H5CHO                              +1.98000000E+009 +1.20000000E+000 +3.97000000E+004 !\Author: SP !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN,JPCA 114, 2010, 5689-5701 !\Comment: 1-3 SHIFT 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>QOOH
!___________________________________________________________________________________________________________ 
NC3H7O2<=>C3H6OOH1-2                              +2.79000000E+042 -1.01000000E+001 +3.91082000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +9.48000000E+020 -5.14000000E+000 +2.37097000E+004 /
PLOG /                           +1.00000000E-001 +1.24000000E+022 -4.93000000E+000 +2.64778000E+004 /
PLOG /                           +1.00000000E+000 +1.99000000E+020 -3.92000000E+000 +2.76341000E+004 /
PLOG /                           +1.00000000E+001 +2.58000000E+042 -1.03000000E+001 +3.76702000E+004 /
PLOG /                           +1.00000000E+002 +2.79000000E+042 -1.01000000E+001 +3.91082000E+004 /

NC3H7O2<=>C3H6OOH1-3                              +7.15000000E+000 +3.12000000E+000 +1.93400000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: REFIT BY SJK 03 / 05 / 17
!PLOG /                           +1.00000000E-002 +6.38000000E+006 +7.50000000E-001 +1.95500000E+004 /
!PLOG /                           +1.00000000E-001 +3.85000000E+006 +1.07000000E+000 +2.02400000E+004 /
!PLOG /                           +1.00000000E+000 +1.50000000E+03	2.32000000E+00	1.980000000E+04 /
!PLOG /                           +1.00000000E+001 +1.440000000E+04	2.06000000E+00	2.020000000E+04 /
!PLOG /                           +1.00000000E+002 +7.870000000E+00	3.12000000E+00	1.930000000E+04 /

!PLOG	/	0.01	6380000	0.75	18950	/
!PLOG	/	0.1	3850000	1.07	19640	/
!PLOG	/	1	1500	2.32	19200	/
!PLOG	/	10	14400	2.06	19600	/
!PLOG	/	100	7.87	3.12	18700	/

PLOG	/1.00E+00	1.50E+03	2.32E+00	1.98E+04       /
PLOG	/1.00E+01	1.44E+04	2.06E+00	1.97E+04       /
PLOG	/1.00E+02	7.87E+00	3.12E+00	1.88E+04       /

!C3H6OOH1-3=>NC3H7O2     1.09E+8 0.74 5500 !VILANO
!C3H6OOH1-3=>CH2O+OH+C2H4      2.89E+9 1.3 26700!VILANO

IC3H7O2<=>C3H6OOH2-1                              +2.22000000E+018 -2.35000000E+000 +3.32447000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.00000000E+033 -8.94000000E+000 +3.04423000E+004 /
PLOG /                           +1.00000000E-001 +2.48000000E+034 -8.62000000E+000 +3.29047000E+004 /
PLOG /                           +1.00000000E+000 +2.01000000E+033 -7.75000000E+000 +3.48901000E+004 /
PLOG /                           +1.00000000E+001 +4.62000000E+027 -5.55000000E+000 +3.50367000E+004 /
PLOG /                           +1.00000000E+002 +2.22000000E+018 -2.35000000E+000 +3.32447000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C3H6OOH1-2<=>HO2+C3H6                             +1.27000000E-015 +8.78000000E+000 +9.26654000E+003 !\Author: SP !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E-015 +9.24000000E+000 +1.89606000E+004 /
PLOG /                           +1.00000000E-001 +2.90000000E-044 +1.76000000E+001 +1.88870000E+003 /
PLOG /                           +1.00000000E+000 +1.08000000E+031 -4.56000000E+000 +3.21226000E+004 /
PLOG /                           +1.00000000E+001 +1.16000000E-009 +7.46000000E+000 +1.47457000E+004 /
PLOG /                           +1.00000000E+002 +1.27000000E-015 +8.78000000E+000 +9.26654000E+003 /
C3H6OOH1-2<=>OH+C3H6O1-2                          +3.34000000E+014 -7.46000000E-001 +1.30738000E+004 !\Author: SP !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +7.76000000E+000 +3.20000000E+000 +8.96496000E+003 /
PLOG /                           +1.00000000E-001 +3.64000000E-005 +4.82000000E+000 +5.68960000E+003 /
PLOG /                           +1.00000000E+000 +1.74000000E+017 -1.42000000E+000 +1.54174000E+004 /
PLOG /                           +1.00000000E+001 +1.17000000E+004 +2.74000000E+000 +1.07594000E+004 /
PLOG /                           +1.00000000E+002 +3.34000000E+014 -7.46000000E-001 +1.30738000E+004 /
C3H6OOH1-3<=>HO2+C3H6                             +3.45000000E+017 -2.82000000E+000 +2.15791000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.55000000E-090 +2.75000000E+001 -3.50570000E+004 /
PLOG /                           +1.00000000E-001 +3.21000000E+004 -3.42000000E-001 +4.33923000E+003 /
PLOG /                           +1.00000000E+000 +1.97000000E+026 -5.97000000E+000 +1.87428000E+004 /
PLOG /                           +1.00000000E+001 +1.60000000E+010 -4.44000000E-001 +1.75318000E+004 /
PLOG /                           +1.00000000E+002 +3.45000000E+017 -2.82000000E+000 +2.15791000E+004 /
C3H6OOH1-3<=>OH+C3H6O1-2                          +3.96000000E+025 -5.29000000E+000 +2.90028000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.00000000E-094 +2.83000000E+001 -3.70056000E+004 /
PLOG /                           +1.00000000E-001 +1.72000000E+001 +3.54000000E-001 +3.37305000E+003 /
PLOG /                           +1.00000000E+000 +1.97000000E+025 -5.92000000E+000 +1.91448000E+004 /
PLOG /                           +1.00000000E+001 +4.60000000E+014 -1.97000000E+000 +2.12429000E+004 /
PLOG /                           +1.00000000E+002 +3.96000000E+025 -5.29000000E+000 +2.90028000E+004 /


C3H6OOH1-3<=>C3H6O1-3+OH     2.64E+09	0.710	1.750E+04  !EA-1KCAL  S.M. VILLANO, L.K. HUYNH, H.-H. CARSTENSEN, A.M. DEAN, J. PHYS. CHEM. A 116(21)(2012) 5068-5089 !\Comment: WARNING

C3H6OOH2-1<=>HO2+C3H6                             +1.04000000E+023 -3.25000000E+000 +2.02479000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.27000000E-080 +2.78000000E+001 -1.57525000E+004 /
PLOG /                           +1.00000000E-001 +3.07000000E-068 +2.41000000E+001 -1.36247000E+004 /
PLOG /                           +1.00000000E+000 +7.16000000E-048 +1.81000000E+001 -6.62037000E+003 /
PLOG /                           +1.00000000E+001 +5.04000000E-023 +1.05000000E+001 +2.46501000E+003 /
PLOG /                           +1.00000000E+002 +1.04000000E+023 -3.25000000E+000 +2.02479000E+004 /
C3H6OOH2-1<=>OH+C3H6O1-2                          +2.98000000E+018 -2.00000000E+000 +1.42508000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.31000000E-006 +4.58000000E+000 +2.77470000E+003 /
PLOG /                           +1.00000000E-001 +3.37000000E+000 +2.89000000E+000 +5.13002000E+003 /
PLOG /                           +1.00000000E+000 +1.15000000E+009 +5.21000000E-001 +9.00753000E+003 /
PLOG /                           +1.00000000E+001 +5.40000000E+016 -1.64000000E+000 +1.26945000E+004 /
PLOG /                           +1.00000000E+002 +2.98000000E+018 -2.00000000E+000 +1.42508000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH+O2<=>O2QOOH
!___________________________________________________________________________________________________________ 
O2+C3H6OOH1-3<=>C3H6OOH1-3O2                      +1.46000000E+018 -1.85000000E+000 +1.00584000E+003 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.95000000E+042 -1.02000000E+001 +5.86236000E+003 /
PLOG /                           +1.00000000E-001 +4.30000000E+042 -9.88000000E+000 +7.52686000E+003 /
PLOG /                           +1.00000000E+000 +7.47000000E+036 -7.85000000E+000 +6.72435000E+003 /
PLOG /                           +1.00000000E+001 +2.18000000E+027 -4.75000000E+000 +4.02617000E+003 /
PLOG /                           +1.00000000E+002 +1.46000000E+018 -1.85000000E+000 +1.00584000E+003 /
O2+C3H6OOH1-2<=>C3H6OOH1-2O2                      +6.65000000E+022 -3.28000000E+000 +2.69488000E+003 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.53000000E+043 -1.06000000E+001 +5.58018000E+003 /
PLOG /                           +1.00000000E-001 +1.73000000E+044 -1.05000000E+001 +7.43582000E+003 /
PLOG /                           +1.00000000E+000 +5.07000000E+040 -9.11000000E+000 +7.63329000E+003 /
PLOG /                           +1.00000000E+001 +4.23000000E+032 -6.42000000E+000 +5.73700000E+003 /
PLOG /                           +1.00000000E+002 +6.65000000E+022 -3.28000000E+000 +2.69488000E+003 /
O2+C3H6OOH2-1<=>C3H6OOH1-2O2                      +5.55000000E+009 -1.18000000E-001 +4.98652000E+003 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.34000000E+046 -1.20000000E+001 +9.04943000E+003 /
PLOG /                           +1.00000000E-001 +5.37000000E+042 -1.06000000E+001 +1.00940000E+004 /
PLOG /                           +1.00000000E+000 +2.82000000E+034 -7.84000000E+000 +9.74812000E+003 /
PLOG /                           +1.00000000E+001 +8.14000000E+026 -5.40000000E+000 +9.40736000E+003 /
PLOG /                           +1.00000000E+002 +5.55000000E+009 -1.18000000E-001 +4.98652000E+003 /
O2+C3H6OOH2-1<=>C3H6OOH2-1O2                      +6.87000000E+025 -4.35000000E+000 +4.01975000E+003 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.15000000E+019 -3.42000000E+000 -4.03727000E+003 /
PLOG /                           +1.00000000E-001 +1.50000000E+027 -5.55000000E+000 +5.17703000E+002 /
PLOG /                           +1.00000000E+000 +4.10000000E+033 -7.19000000E+000 +4.54340000E+003 /
PLOG /                           +1.00000000E+001 +5.85000000E+033 -6.97000000E+000 +6.01835000E+003 /
PLOG /                           +1.00000000E+002 +6.87000000E+025 -4.35000000E+000 +4.01975000E+003 /
O2+C3H6OOH1-2<=>C3H6OOH2-1O2                      +9.85000000E+016 -2.36000000E+000 +7.51856000E+003 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.23000000E+068 -1.88000000E+001 +1.58888000E+004 /
PLOG /                           +1.00000000E-001 +9.14000000E+063 -1.72000000E+001 +1.72064000E+004 /
PLOG /                           +1.00000000E+000 +3.48000000E+057 -1.50000000E+001 +1.78921000E+004 /
PLOG /                           +1.00000000E+001 +2.64000000E+039 -9.26000000E+000 +1.39274000E+004 /
PLOG /                           +1.00000000E+002 +9.85000000E+016 -2.36000000E+000 +7.51856000E+003 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
O2+C3H6OOH1-3=>OH+OH+OCHCH2CH2O                   +6.32000000E+000 +3.02000000E+000 +1.62507000E+003 !\Author: SP !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.20000000E+030 -6.23000000E+000 +5.24155000E+003 /
PLOG /                           +1.00000000E-001 +2.42000000E+032 -6.58000000E+000 +8.14472000E+003 /
PLOG /                           +1.00000000E+000 +3.70000000E+027 -5.03000000E+000 +8.65443000E+003 /
PLOG /                           +1.00000000E+001 +3.58000000E+015 -1.36000000E+000 +5.98573000E+003 /
PLOG /                           +1.00000000E+002 +6.32000000E+000 +3.02000000E+000 +1.62507000E+003 /
O2+C3H6OOH1-3<=>HO2+AC3H5OOH                      +6.76000000E-004 +4.57000000E+000 +4.46375000E+003 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.46000000E+015 -1.27000000E+000 +3.27888000E+003 /
PLOG /                           +1.00000000E-001 +2.53000000E+020 -2.73000000E+000 +7.33277000E+003 /
PLOG /                           +1.00000000E+000 +2.77000000E+020 -2.61000000E+000 +9.79694000E+003 /
PLOG /                           +1.00000000E+001 +3.08000000E+011 +1.79000000E-001 +8.56997000E+003 /
PLOG /                           +1.00000000E+002 +6.76000000E-004 +4.57000000E+000 +4.46375000E+003 /
O2+C3H6OOH1-3<=>OH+C3H5O1-2OOH-3                  +2.54000000E-006 +4.94000000E+000 +4.15870000E+003 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.19000000E+011 -6.62000000E-001 +2.53187000E+003 /
PLOG /                           +1.00000000E-001 +2.74000000E+017 -2.21000000E+000 +6.72897000E+003 /
PLOG /                           +1.00000000E+000 +6.70000000E+017 -2.19000000E+000 +9.35246000E+003 /
PLOG /                           +1.00000000E+001 +1.36000000E+009 +5.23000000E-001 +8.25881000E+003 /
PLOG /                           +1.00000000E+002 +2.54000000E-006 +4.94000000E+000 +4.15870000E+003 /
O2+C3H6OOH1-2<=>C3H51-2,3OOH                      +1.26000000E+009 -3.59000000E-001 +1.27879000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.70000000E+071 -2.04000000E+001 +1.93355000E+004 /
PLOG /                           +1.00000000E-001 +1.18000000E+056 -1.54000000E+001 +1.72485000E+004 /
PLOG /                           +1.00000000E+000 +9.12000000E+046 -1.22000000E+001 +1.82452000E+004 /
PLOG /                           +1.00000000E+001 +1.88000000E+034 -8.11000000E+000 +1.82617000E+004 /
PLOG /                           +1.00000000E+002 +1.26000000E+009 -3.59000000E-001 +1.27879000E+004 /
O2+C3H6OOH1-2<=>OH+C3H5O1-2OOH-3                  +9.90000000E+009 -3.10000000E-001 +1.91655000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.90000000E+040 -1.04000000E+001 +9.90331000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+043 -1.11000000E+001 +1.50599000E+004 /
PLOG /                           +1.00000000E+000 +2.48000000E+044 -1.10000000E+001 +2.05661000E+004 /
PLOG /                           +1.00000000E+001 +1.77000000E+036 -8.31000000E+000 +2.35873000E+004 /
PLOG /                           +1.00000000E+002 +9.90000000E+009 -3.10000000E-001 +1.91655000E+004 /
O2+C3H6OOH1-2=>OH+OH+CH3COCH2O                    +7.15000000E+002 +1.70000000E+000 +1.11595000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.81000000E+037 -9.43000000E+000 +8.66810000E+003 /
PLOG /                           +1.00000000E-001 +6.21000000E+039 -9.86000000E+000 +1.30868000E+004 /
PLOG /                           +1.00000000E+000 +4.55000000E+037 -9.00000000E+000 +1.65229000E+004 /
PLOG /                           +1.00000000E+001 +1.97000000E+026 -5.41000000E+000 +1.65377000E+004 /
PLOG /                           +1.00000000E+002 +7.15000000E+002 +1.70000000E+000 +1.11595000E+004 /
O2+C3H6OOH1-2=>OH+OH+C2H4OCHO                     +7.36000000E+001 +2.72000000E+000 +5.02039000E+003 !\Author: SP !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.79000000E+012 -8.55000000E-001 +5.28159000E+002 /
PLOG /                           +1.00000000E-001 +8.75000000E+017 -2.40000000E+000 +4.56698000E+003 /
PLOG /                           +1.00000000E+000 +1.79000000E+020 -2.96000000E+000 +7.84392000E+003 /
PLOG /                           +1.00000000E+001 +9.72000000E+014 -1.26000000E+000 +8.21243000E+003 /
PLOG /                           +1.00000000E+002 +7.36000000E+001 +2.72000000E+000 +5.02039000E+003 /
O2+C3H6OOH1-2<=>HO2+AC3H5OOH                      +4.35000000E+003 +2.55000000E+000 +6.47735000E+003 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.32000000E+010 +1.66000000E-003 +8.74545000E+002 /
PLOG /                           +1.00000000E-001 +5.12000000E+016 -1.68000000E+000 +4.87214000E+003 /
PLOG /                           +1.00000000E+000 +1.51000000E+020 -2.59000000E+000 +8.51258000E+003 /
PLOG /                           +1.00000000E+001 +1.51000000E+016 -1.27000000E+000 +9.39150000E+003 /
PLOG /                           +1.00000000E+002 +4.35000000E+003 +2.55000000E+000 +6.47735000E+003 /
O2+C3H6OOH1-2<=>HO2+C3H5-SOOH                     +2.50000000E+002 +2.77000000E+000 +6.67451000E+003 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.80000000E+008 +6.06000000E-001 +5.91748000E+002 /
PLOG /                           +1.00000000E-001 +2.05000000E+014 -1.12000000E+000 +4.59917000E+003 /
PLOG /                           +1.00000000E+000 +1.61000000E+018 -2.16000000E+000 +8.38266000E+003 /
PLOG /                           +1.00000000E+001 +5.14000000E+014 -9.88000000E-001 +9.47190000E+003 /
PLOG /                           +1.00000000E+002 +2.50000000E+002 +2.77000000E+000 +6.67451000E+003 /
O2+C3H6OOH1-2<=>HO2+IC3H5Q                        +2.68000000E+004 +1.52000000E+000 +1.34351000E+004 !\Author: SP !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.76000000E+026 -5.92000000E+000 +6.49586000E+003 /
PLOG /                           +1.00000000E-001 +3.26000000E+032 -7.42000000E+000 +1.18907000E+004 /
PLOG /                           +1.00000000E+000 +1.52000000E+034 -7.71000000E+000 +1.66291000E+004 /
PLOG /                           +1.00000000E+001 +1.33000000E+026 -5.08000000E+000 +1.79826000E+004 /
PLOG /                           +1.00000000E+002 +2.68000000E+004 +1.52000000E+000 +1.34351000E+004 /
O2+C3H6OOH1-2<=>O2+C3H6OOH2-1                     +1.02000000E+010 +3.04000000E-001 +1.44948000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.68000000E+033 -7.31000000E+000 +8.13443000E+003 /
PLOG /                           +1.00000000E-001 +4.31000000E+038 -8.76000000E+000 +1.33994000E+004 /
PLOG /                           +1.00000000E+000 +8.96000000E+039 -8.95000000E+000 +1.79480000E+004 /
PLOG /                           +1.00000000E+001 +3.58000000E+031 -6.24000000E+000 +1.90919000E+004 /
PLOG /                           +1.00000000E+002 +1.02000000E+010 +3.04000000E-001 +1.44948000E+004 /
O2+C3H6OOH2-1<=>C3H51-2,3OOH                      +1.46000000E+016 -1.87000000E+000 +8.88932000E+003 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.06000000E+029 -7.20000000E+000 +1.93920000E+003 /
PLOG /                           +1.00000000E-001 +4.31000000E+034 -8.44000000E+000 +6.44502000E+003 /
PLOG /                           +1.00000000E+000 +3.03000000E+037 -8.90000000E+000 +1.07705000E+004 /
PLOG /                           +1.00000000E+001 +2.01000000E+031 -6.67000000E+000 +1.18880000E+004 /
PLOG /                           +1.00000000E+002 +1.46000000E+016 -1.87000000E+000 +8.88932000E+003 /
O2+C3H6OOH2-1<=>OH+C3H5O1-2OOH-3                  +1.15000000E+015 -1.23000000E+000 +1.50306000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.19000000E+013 -1.36000000E+000 +9.25373000E+001 /
PLOG /                           +1.00000000E-001 +2.98000000E+022 -3.99000000E+000 +5.87299000E+003 /
PLOG /                           +1.00000000E+000 +1.30000000E+032 -6.72000000E+000 +1.30559000E+004 /
PLOG /                           +1.00000000E+001 +3.60000000E+031 -6.33000000E+000 +1.72835000E+004 /
PLOG /                           +1.00000000E+002 +1.15000000E+015 -1.23000000E+000 +1.50306000E+004 /
O2+C3H6OOH2-1=>OH+OH+CH3COCH2O                    +1.13000000E+010 +1.17000000E-001 +7.22707000E+003 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.28000000E+009 -4.11000000E-002 -1.69352000E+003 /
PLOG /                           +1.00000000E-001 +1.26000000E+016 -2.06000000E+000 +2.60312000E+003 /
PLOG /                           +1.00000000E+000 +6.70000000E+022 -3.98000000E+000 +7.36021000E+003 /
PLOG /                           +1.00000000E+001 +2.35000000E+021 -3.39000000E+000 +9.36049000E+003 /
PLOG /                           +1.00000000E+002 +1.13000000E+010 +1.17000000E-001 +7.22707000E+003 /
O2+C3H6OOH2-1=>OH+OH+C2H4OCHO                     +5.91000000E-013 +6.32000000E+000 +6.80779000E+003 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.11000000E+018 -3.19000000E+000 +5.91089000E+003 /
PLOG /                           +1.00000000E-001 +3.67000000E+013 -1.44000000E+000 +6.96738000E+003 /
PLOG /                           +1.00000000E+000 +5.70000000E+006 +6.97000000E-001 +7.67386000E+003 /
PLOG /                           +1.00000000E+001 +2.30000000E+003 +1.68000000E+000 +9.63139000E+003 /
PLOG /                           +1.00000000E+002 +5.91000000E-013 +6.32000000E+000 +6.80779000E+003 /
O2+C3H6OOH2-1<=>HO2+AC3H5OOH                      +2.23000000E+004 +1.94000000E+000 +1.30748000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.83000000E+015 -1.76000000E+000 +4.65656000E+003 /
PLOG /                           +1.00000000E-001 +4.68000000E+015 -1.86000000E+000 +6.59916000E+003 /
PLOG /                           +1.00000000E+000 +1.81000000E+022 -3.78000000E+000 +1.18049000E+004 /
PLOG /                           +1.00000000E+001 +8.68000000E+020 -3.20000000E+000 +1.53524000E+004 /
PLOG /                           +1.00000000E+002 +2.23000000E+004 +1.94000000E+000 +1.30748000E+004 /
O2+C3H6OOH2-1<=>HO2+C3H5-SOOH                     +2.04000000E-012 +6.35000000E+000 +8.21157000E+003 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.06000000E+018 -2.77000000E+000 +6.95757000E+003 /
PLOG /                           +1.00000000E-001 +2.41000000E+012 -9.13000000E-001 +7.83126000E+003 /
PLOG /                           +1.00000000E+000 +3.37000000E+005 +1.25000000E+000 +8.42379000E+003 /
PLOG /                           +1.00000000E+001 +7.81000000E+002 +2.02000000E+000 +1.06172000E+004 /
PLOG /                           +1.00000000E+002 +2.04000000E-012 +6.35000000E+000 +8.21157000E+003 /
O2+C3H6OOH2-1<=>HO2+IC3H5Q                        +2.02000000E+011 +4.84000000E-002 +9.73661000E+003 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.69000000E+005 +1.47000000E+000 -3.39622000E+002 /
PLOG /                           +1.00000000E-001 +1.92000000E+011 -2.95000000E-001 +3.11573000E+003 /
PLOG /                           +1.00000000E+000 +8.39000000E+018 -2.50000000E+000 +7.89585000E+003 /
PLOG /                           +1.00000000E+001 +3.26000000E+020 -2.84000000E+000 +1.09710000E+004 /
PLOG /                           +1.00000000E+002 +2.02000000E+011 +4.84000000E-002 +9.73661000E+003 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: O2QOOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C3H6OOH1-2O2<=>C3H6OOH2-1O2                       +8.35000000E+010 -5.57000000E-001 +1.93347000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.97000000E+032 -7.73000000E+000 +2.49489000E+004 /
PLOG /                           +1.00000000E-001 +7.45000000E+030 -7.03000000E+000 +2.50233000E+004 /
PLOG /                           +1.00000000E+000 +8.96000000E+026 -5.68000000E+000 +2.43057000E+004 /
PLOG /                           +1.00000000E+001 +3.25000000E+019 -3.28000000E+000 +2.21430000E+004 /
PLOG /                           +1.00000000E+002 +8.35000000E+010 -5.57000000E-001 +1.93347000E+004 /
C3H6OOH1-2O2<=>C3H51-2,3OOH                       +7.45000000E+008 -2.01000000E-001 +3.18605000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.93000000E+057 -1.58000000E+001 +4.06438000E+004 /
PLOG /                           +1.00000000E-001 +4.01000000E+056 -1.52000000E+001 +4.29381000E+004 /
PLOG /                           +1.00000000E+000 +1.65000000E+051 -1.33000000E+001 +4.38991000E+004 /
PLOG /                           +1.00000000E+001 +1.53000000E+039 -9.43000000E+000 +4.22092000E+004 /
PLOG /                           +1.00000000E+002 +7.45000000E+008 -2.01000000E-001 +3.18605000E+004 /
C3H6OOH1-2O2<=>OH+C3H5O1-2OOH-3                   +2.87000000E+029 -6.03000000E+000 +4.90954000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.96000000E+074 -2.06000000E+001 +4.90257000E+004 /
PLOG /                           +1.00000000E-001 +3.82000000E+075 -2.06000000E+001 +5.32619000E+004 /
PLOG /                           +1.00000000E+000 +3.59000000E+071 -1.91000000E+001 +5.63378000E+004 /
PLOG /                           +1.00000000E+001 +2.30000000E+058 -1.49000000E+001 +5.61284000E+004 /
PLOG /                           +1.00000000E+002 +2.87000000E+029 -6.03000000E+000 +4.90954000E+004 /
C3H6OOH1-2O2<=>OH+C3KET21                         +1.29000000E+015 -1.92000000E+000 +3.58450000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.10000000E+067 -1.83000000E+001 +4.52148000E+004 /
PLOG /                           +1.00000000E-001 +7.50000000E+062 -1.68000000E+001 +4.65753000E+004 /
PLOG /                           +1.00000000E+000 +6.21000000E+052 -1.36000000E+001 +4.56424000E+004 /
PLOG /                           +1.00000000E+001 +8.86000000E+036 -8.60000000E+000 +4.21939000E+004 /
PLOG /                           +1.00000000E+002 +1.29000000E+015 -1.92000000E+000 +3.58450000E+004 /
C3H6OOH1-2O2<=>OH+C3KET12                         +1.95000000E+010 +1.54000000E-001 +2.56120000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.53000000E+040 -9.91000000E+000 +3.26314000E+004 /
PLOG /                           +1.00000000E-001 +2.54000000E+037 -8.72000000E+000 +3.29095000E+004 /
PLOG /                           +1.00000000E+000 +1.12000000E+031 -6.53000000E+000 +3.18066000E+004 /
PLOG /                           +1.00000000E+001 +1.98000000E+021 -3.34000000E+000 +2.91378000E+004 /
PLOG /                           +1.00000000E+002 +1.95000000E+010 +1.54000000E-001 +2.56120000E+004 /
C3H6OOH1-2O2<=>HO2+AC3H5OOH                       +7.71000000E+023 -3.45000000E+000 +3.43005000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+051 -1.28000000E+001 +3.93617000E+004 /
PLOG /                           +1.00000000E-001 +1.20000000E+050 -1.22000000E+001 +4.06620000E+004 /
PLOG /                           +1.00000000E+000 +1.15000000E+045 -1.03000000E+001 +4.03316000E+004 /
PLOG /                           +1.00000000E+001 +3.13000000E+035 -7.15000000E+000 +3.79395000E+004 /
PLOG /                           +1.00000000E+002 +7.71000000E+023 -3.45000000E+000 +3.43005000E+004 /
C3H6OOH1-2O2<=>HO2+C3H5-SOOH                      +5.15000000E+022 -3.26000000E+000 +3.46912000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.04000000E+050 -1.27000000E+001 +3.95358000E+004 /
PLOG /                           +1.00000000E-001 +2.23000000E+049 -1.21000000E+001 +4.10053000E+004 /
PLOG /                           +1.00000000E+000 +2.98000000E+044 -1.03000000E+001 +4.08144000E+004 /
PLOG /                           +1.00000000E+001 +5.65000000E+034 -7.10000000E+000 +3.84419000E+004 /
PLOG /                           +1.00000000E+002 +5.15000000E+022 -3.26000000E+000 +3.46912000E+004 /
C3H6OOH1-2O2<=>HO2+IC3H5Q                         +1.55000000E+023 -3.97000000E+000 +4.24779000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +7.84000000E+068 -1.88000000E+001 +4.83569000E+004 /
PLOG /                           +1.00000000E-001 +1.43000000E+067 -1.80000000E+001 +5.07954000E+004 /
PLOG /                           +1.00000000E+000 +4.77000000E+059 -1.54000000E+001 +5.11842000E+004 /
PLOG /                           +1.00000000E+001 +1.87000000E+045 -1.08000000E+001 +4.86553000E+004 /
PLOG /                           +1.00000000E+002 +1.55000000E+023 -3.97000000E+000 +4.24779000E+004 /
C3H6OOH2-1O2<=>C3H51-2,3OOH                       +1.98000000E+016 -1.63000000E+000 +2.59740000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.75000000E+042 -1.05000000E+001 +3.11586000E+004 /
PLOG /                           +1.00000000E-001 +2.76000000E+039 -9.32000000E+000 +3.16906000E+004 /
PLOG /                           +1.00000000E+000 +1.42000000E+033 -7.12000000E+000 +3.06965000E+004 /
PLOG /                           +1.00000000E+001 +3.66000000E+025 -4.59000000E+000 +2.88575000E+004 /
PLOG /                           +1.00000000E+002 +1.98000000E+016 -1.63000000E+000 +2.59740000E+004 /
C3H6OOH2-1O2<=>OH+C3H5O1-2OOH-3                   +8.89000000E+030 -5.73000000E+000 +4.18277000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.11000000E+075 -2.03000000E+001 +4.66221000E+004 /
PLOG /                           +1.00000000E-001 +3.41000000E+071 -1.88000000E+001 +4.86322000E+004 /
PLOG /                           +1.00000000E+000 +1.91000000E+060 -1.50000000E+001 +4.77755000E+004 /
PLOG /                           +1.00000000E+001 +3.44000000E+050 -1.18000000E+001 +4.70802000E+004 /
PLOG /                           +1.00000000E+002 +8.89000000E+030 -5.73000000E+000 +4.18277000E+004 /
C3H6OOH2-1O2<=>OH+C3KET21                         +2.04000000E+009 +5.15000000E-001 +2.32465000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.03000000E+049 -1.26000000E+001 +3.43143000E+004 /
PLOG /                           +1.00000000E-001 +9.78000000E+040 -9.67000000E+000 +3.27570000E+004 /
PLOG /                           +1.00000000E+000 +1.47000000E+028 -5.51000000E+000 +2.91113000E+004 /
PLOG /                           +1.00000000E+001 +7.98000000E+018 -2.52000000E+000 +2.63998000E+004 /
PLOG /                           +1.00000000E+002 +2.04000000E+009 +5.15000000E-001 +2.32465000E+004 /
C3H6OOH2-1O2<=>OH+C3KET12                         +1.40000000E+016 -2.18000000E+000 +3.70962000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.74000000E+040 -9.94000000E+000 +3.66527000E+004 /
PLOG /                           +1.00000000E-001 +1.98000000E+053 -1.41000000E+001 +4.25456000E+004 /
PLOG /                           +1.00000000E+000 +1.46000000E+053 -1.37000000E+001 +4.63238000E+004 /
PLOG /                           +1.00000000E+001 +1.08000000E+038 -8.90000000E+000 +4.33298000E+004 /
PLOG /                           +1.00000000E+002 +1.40000000E+016 -2.18000000E+000 +3.70962000E+004 /
C3H6OOH2-1O2<=>HO2+AC3H5OOH                       +2.10000000E+029 -5.33000000E+000 +4.40437000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.87000000E+048 -1.23000000E+001 +3.95968000E+004 /
PLOG /                           +1.00000000E-001 +6.31000000E+085 -2.35000000E+001 +5.59002000E+004 /
PLOG /                           +1.00000000E+000 +7.67000000E+059 -1.51000000E+001 +4.99265000E+004 /
PLOG /                           +1.00000000E+001 +1.30000000E+050 -1.18000000E+001 +4.95067000E+004 /
PLOG /                           +1.00000000E+002 +2.10000000E+029 -5.33000000E+000 +4.40437000E+004 /
C3H6OOH2-1O2<=>HO2+C3H5-SOOH                      +1.45000000E+021 -3.45000000E+000 +4.13826000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.60000000E+041 -1.03000000E+001 +3.85450000E+004 /
PLOG /                           +1.00000000E-001 +3.08000000E+056 -1.49000000E+001 +4.58661000E+004 /
PLOG /                           +1.00000000E+000 +2.01000000E+057 -1.48000000E+001 +4.98037000E+004 /
PLOG /                           +1.00000000E+001 +1.71000000E+043 -1.03000000E+001 +4.74851000E+004 /
PLOG /                           +1.00000000E+002 +1.45000000E+021 -3.45000000E+000 +4.13826000E+004 /
C3H6OOH2-1O2<=>HO2+IC3H5Q                         +2.99000000E+026 -4.15000000E+000 +3.61050000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.58000000E+063 -1.67000000E+001 +4.44813000E+004 /
PLOG /                           +1.00000000E-001 +1.17000000E+059 -1.48000000E+001 +4.49121000E+004 /
PLOG /                           +1.00000000E+000 +1.74000000E+047 -1.09000000E+001 +4.21456000E+004 /
PLOG /                           +1.00000000E+001 +3.79000000E+037 -7.68000000E+000 +3.96391000E+004 /
PLOG /                           +1.00000000E+002 +2.99000000E+026 -4.15000000E+000 +3.61050000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: O2QOOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C3H6OOH1-3O2<=>C3KET13+OH                         +1.67000000E+005 +1.48000000E+000 +1.62379000E+004 !\Author: UB \Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment:  
!PLOG /                           +1.00000000E-002 +4.08000000E+029 -6.39000000E+000 +2.34402000E+004 /
!PLOG /                           +1.00000000E-001 +2.49000000E+025 -4.95000000E+000 +2.26125000E+004 /
!PLOG /                           +1.00000000E+000 +1.01000000E+019 -2.88000000E+000 +2.08036000E+004 /
!PLOG /                           +1.00000000E+001 +4.46000000E+011 -5.38000000E-001 +1.84411000E+004 /
!PLOG /                           +1.00000000E+002 +1.67000000E+005 +1.48000000E+000 +1.62379000E+004 /


PLOG	/1.00E+00	1.5E+019	-2.88E+00	2.08E+04 /
PLOG	/1.00E+01	8.03E+11	-5.38E-01	1.84E+04 /
PLOG	/1.00E+02	3.01E+05	1.48E+00	1.62E+04 /

!C3H6OOH1-3O2<=>C3KET13+OH      2.59E+04	1.900	18800

!NC3H7O2<=>HO2+C3H6                                +2.26000000E+032 -6.22000000E+000 +3.79482000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
!PLOG /                           +1.00000000E-002 +4.30000000E+053 -1.40000000E+001 +3.95260000E+004 /
!PLOG /                           +1.00000000E-001 +9.52000000E+057 -1.50000000E+001 +4.26843000E+004 /
!PLOG /                           +1.00000000E+000 +7.90000000E+033 -7.03000000E+000 +3.65435000E+004 /
!PLOG /                           +1.00000000E+001 +2.55000000E+016 -1.22000000E+000 +3.24803000E+004 /
!PLOG /                           +1.00000000E+002 +2.26000000E+032 -6.22000000E+000 +3.79482000E+004 /
!

NC3H7O2<=>HO2+C3H6     2.08E+08	1.250	2.960E+04 !vilano


C3H6OOH1-3O2<=>HO2+AC3H5OOH                       +1.96000000E+016 -1.27000000E+000 +3.09174000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.85000000E+046 -1.14000000E+001 +3.78724000E+004 /
PLOG /                           +1.00000000E-001 +5.56000000E+044 -1.05000000E+001 +3.88355000E+004 /
PLOG /                           +1.00000000E+000 +3.87000000E+037 -8.08000000E+000 +3.75223000E+004 /
PLOG /                           +1.00000000E+001 +6.42000000E+026 -4.59000000E+000 +3.43972000E+004 /
PLOG /                           +1.00000000E+002 +1.96000000E+016 -1.27000000E+000 +3.09174000E+004 /
C3H6OOH1-3O2<=>OH+C3H5O1-2OOH-3                   +1.72000000E+005 +1.60000000E+000 +2.58824000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.47000000E+038 -9.47000000E+000 +3.37339000E+004 /
PLOG /                           +1.00000000E-001 +4.84000000E+035 -8.30000000E+000 +3.44354000E+004 /
PLOG /                           +1.00000000E+000 +6.96000000E+027 -5.62000000E+000 +3.29059000E+004 /
PLOG /                           +1.00000000E+001 +2.66000000E+016 -1.93000000E+000 +2.95836000E+004 /
PLOG /                           +1.00000000E+002 +1.72000000E+005 +1.60000000E+000 +2.58824000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: POOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C3H51-2,3OOH<=>OH+C3H5O1-2OOH-3                   +6.12000000E+015 -1.06000000E+000 +1.64864000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.30000000E+011 -6.35000000E-001 +1.10415000E+004 /
PLOG /                           +1.00000000E-001 +1.61000000E+018 -2.41000000E+000 +1.44138000E+004 /
PLOG /                           +1.00000000E+000 +4.78000000E+024 -4.13000000E+000 +1.81100000E+004 /
PLOG /                           +1.00000000E+001 +5.27000000E+021 -3.00000000E+000 +1.81253000E+004 /
PLOG /                           +1.00000000E+002 +6.12000000E+015 -1.06000000E+000 +1.64864000E+004 /
C3H51-2,3OOH<=>OH+C3KET21                         +5.09000000E+005 +9.38000000E-001 +2.06527000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.16000000E-025 +1.04000000E+001 +2.78819000E+003 /
PLOG /                           +1.00000000E-001 +5.60000000E-037 +1.39000000E+001 -2.56536000E+002 /
PLOG /                           +1.00000000E+000 +2.24000000E+008 +8.21000000E-002 +1.74394000E+004 /
PLOG /                           +1.00000000E+001 +4.11000000E+020 -3.63000000E+000 +2.43075000E+004 /
PLOG /                           +1.00000000E+002 +5.09000000E+005 +9.38000000E-001 +2.06527000E+004 /
C3H51-2,3OOH<=>OH+C3KET12                         +2.83000000E+008 -6.30000000E-001 +2.99615000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +7.61000000E-032 +1.19000000E+001 +4.21828000E+003 /
PLOG /                           +1.00000000E-001 +9.21000000E-042 +1.48000000E+001 +1.99043000E+003 /
PLOG /                           +1.00000000E+000 +2.20000000E+006 +2.03000000E-002 +2.15108000E+004 /
PLOG /                           +1.00000000E+001 +3.28000000E+028 -6.77000000E+000 +3.36821000E+004 /
PLOG /                           +1.00000000E+002 +2.83000000E+008 -6.30000000E-001 +2.99615000E+004 /
C3H51-2,3OOH<=>HO2+AC3H5OOH                       +1.71000000E+015 -1.00000000E+000 +1.96782000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.43000000E-002 +3.17000000E+000 +9.06313000E+003 /
PLOG /                           +1.00000000E-001 +7.78000000E+013 -1.39000000E+000 +1.54095000E+004 /
PLOG /                           +1.00000000E+000 +2.85000000E+025 -4.59000000E+000 +2.12133000E+004 /
PLOG /                           +1.00000000E+001 +4.89000000E+022 -3.45000000E+000 +2.16608000E+004 /
PLOG /                           +1.00000000E+002 +1.71000000E+015 -1.00000000E+000 +1.96782000E+004 /
C3H51-2,3OOH<=>HO2+C3H5-SOOH                      +6.29000000E+010 -1.14000000E+000 +3.22713000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.45000000E-032 +1.21000000E+001 +4.94789000E+003 /
PLOG /                           +1.00000000E-001 +8.98000000E-042 +1.49000000E+001 +2.92561000E+003 /
PLOG /                           +1.00000000E+000 +2.85000000E+007 -2.20000000E-001 +2.29380000E+004 /
PLOG /                           +1.00000000E+001 +2.10000000E+030 -7.16000000E+000 +3.55712000E+004 /
PLOG /                           +1.00000000E+002 +6.29000000E+010 -1.14000000E+000 +3.22713000E+004 /
C3H51-2,3OOH<=>HO2+IC3H5Q                         +2.66000000E+011 -4.33000000E-001 +2.57314000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.18000000E-024 +1.01000000E+001 +5.61989000E+003 /
PLOG /                           +1.00000000E-001 +7.46000000E-035 +1.34000000E+001 +2.72021000E+003 /
PLOG /                           +1.00000000E+000 +4.29000000E+012 -9.90000000E-001 +2.13647000E+004 /
PLOG /                           +1.00000000E+001 +1.78000000E+026 -5.03000000E+000 +2.90850000E+004 /
PLOG /                           +1.00000000E+002 +2.66000000E+011 -4.33000000E-001 +2.57314000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: KHP_HOMOLYTIC_FISSION
!___________________________________________________________________________________________________________ 
C3KET13<=>OCHCH2CH2O+OH                           2.23e+024 -2.65 44965.6 !\Author: SP !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment:
PLOG/ 0.01 3.41e+064 -15.9 55761.4/
PLOG/ 0.1 1.97e+061 -14.6 56011.5/
PLOG/ 1 1.07e+054 -12.1 54562.8/
PLOG/ 10 5.29e+043 -8.74 51568.5/
PLOG/ 100 4.06e+033 -5.54 48225.4/

C3H5O1-2OOH-3=>CH2CHO+CH2O+OH                     +1.03000000E+031 -4.76000000E+000 +4.79219000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: ESTIMATED AS PROD_3<=>FRAG_3+OH 
PLOG /                           +1.00000000E-002 +5.20000000E+064 -1.59000000E+001 +5.66501000E+004 /
PLOG /                           +1.00000000E-001 +2.19000000E+060 -1.42000000E+001 +5.64797000E+004 /
PLOG /                           +1.00000000E+000 +1.08000000E+052 -1.15000000E+001 +5.45804000E+004 /
PLOG /                           +1.00000000E+001 +1.56000000E+041 -7.97000000E+000 +5.13210000E+004 /
PLOG /                           +1.00000000E+002 +1.03000000E+031 -4.76000000E+000 +4.79219000E+004 /
C3KET21<=>CH3COCH2O+OH                            +1.03000000E+031 -4.76000000E+000 +4.89219000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: ESTIMATED AS PROD_4<=>FRAG_4+OH 
PLOG /                           +1.00000000E-002 +5.20000000E+064 -1.59000000E+001 +5.66501000E+004 /
PLOG /                           +1.00000000E-001 +2.19000000E+060 -1.42000000E+001 +5.64797000E+004 /
PLOG /                           +1.00000000E+000 +1.08000000E+052 -1.15000000E+001 +5.55804000E+004 /
PLOG /                           +1.00000000E+001 +1.56000000E+041 -7.97000000E+000 +5.23210000E+004 /
PLOG /                           +1.00000000E+002 +1.03000000E+031 -4.76000000E+000 +4.89219000E+004 /
C3KET12=>C2H4OCHO+OH                              +1.03000000E+031 -4.76000000E+000 +4.89219000E+004 !\Author: SP !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: ESTIMATED AS PROD_5<=>FRAG_5+OH 
PLOG /                           +1.00000000E-002 +5.20000000E+064 -1.59000000E+001 +5.66501000E+004 /
PLOG /                           +1.00000000E-001 +2.19000000E+060 -1.42000000E+001 +5.64797000E+004 /
PLOG /                           +1.00000000E+000 +1.08000000E+052 -1.15000000E+001 +5.55804000E+004 /
PLOG /                           +1.00000000E+001 +1.56000000E+041 -7.97000000E+000 +5.23210000E+004 /
PLOG /                           +1.00000000E+002 +1.03000000E+031 -4.76000000E+000 +4.89219000E+004 /
OCHCH2CH2O<=>CH2O+CH2CHO                          +4.94000000E+010 +8.57000000E-001 +5.80920000E+003 !\Author: SP !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
CH3COCH2O<=>CH3CO+CH2O                            +5.73000000E+013 -2.47000000E-002 +4.47348000E+003 !\Author: SP !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
C2H4OCHO<=>CH3+CHOCHO                             +1.74000000E+011 +8.33000000E-001 +9.83314000E+003 !\Author: SP !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
!DONG 211209!C2H4OCHO<=>HCO+CH3CHO                             +2.12000000E+014 -1.41000000E-001 +1.10866000E+003 !\Author: SP !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
C2H4OCHO<=>HCO+CH3CHO                             +2.9000000E+012 +3.8000000E-001 +1.1080000E+004   !NC5KET12O<=>NC3H7CHO+HCO\AUTHOR: SD !\REF:O. HERBINET ET AL. COMBUST. FLAME 2012, 159, 3455-3471                                                                                                                                   

C3KET13=>CH3CHO+HOCHO   4.7E+1 2.15 25100
C3KET13=>CH3COOH+CH2O  5.7E+1 2.15 25100
OH+C3KET13=>H2O+CO+C2H4O1-2+OH  .7988E+06 2.0  -3343.83
OH+C3KET13=>H2O+HCO+CH3CO+OH  .7988E+06 2.0  -2259.83
OH+C3KET13=>H2O+C2H3CHO+HO2  .3994E+06 2.0  -2259.83
OH+C3KET13=>H2O+CH2CO+CH2O+OH  .6390E+06 2.0  -3343.83
OH+C3KET13=>H2O+CO+CH3CHO+OH  .1598E+06 2.0  -3343.83
HO2     +C3KET13=>H2O2    +CO+C2H4O1-2+OH  .1078E+06 2.0   9982.61
CH3O    +C3KET13=>CH3OH   +CO+C2H4O1-2+OH  .8559E+05 2.0    161.62
CH3O2   +C3KET13=>CH3O2H  +CO+C2H4O1-2+OH  .1522E+06 2.0  10438.75

!===========================================================================================================
!\SUBSPECIES: NC3H7
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: KHP_HOMOLYTIC_FISSION
!___________________________________________________________________________________________________________ 
NC3H7+O<=>C2H5CHO+H                               +8.57000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: TSANG AND HAMPSON 1988 !\Comment: WARNING 
NC3H7+H<=>C3H6+H2                                 +1.81000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: TSANG 1988 !\Comment: WARNING 
NC3H7+OH<=>C3H6+H2O                               +2.40000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: TSANG 1988 !\Comment: WARNING 
NC3H7+CH3<=>CH4+C3H6                              +1.10000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: TSANG 1988 !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: NC3H7
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: IC3H7
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: KHP_HOMOLYTIC_FISSION
!___________________________________________________________________________________________________________ 
IC3H7+H<=>C3H6+H2                                 +3.61000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: TSANG 1988 !\Comment: WARNING 
IC3H7+C3H5-A<=>C3H8+C3H4-A                        +4.58000000E+012 -3.50000000E-001 -1.31000000E+002 !\Author: SP !\Ref: TSANG 1988 !\Comment: WARNING 
IC3H7+C2H4<=>C3H6+C2H5                            +2.65000000E+010 +0.00000000E+000 +6.59800000E+003 !\Author: SP !\Ref: NIST !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: IC3H7
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: NC3H7O2H
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
NC3H7O2H<=>NC3H7O+OH                              +2.05000000E+019 -1.09000000E+000 +4.44000000E+004 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
!NC3H7O2H(+M)=NC3H7O+OH(+M)                         +4.04972000E+019 -1.15300000E+000 +4.42504900E+004 !\Author: SP !\Ref: A.W.JASPER, S.J.KLIPPENSTEIN, L.B.HARDING, PROC.COMBUST.INST. 32(2009) 279-286 !\Comment: WARNING 
!LOW /                                             +3.80285000E+042 -7.50200000E+000 +4.67560970E+004 /
!TROE /                           +8.37500000E-001 +3.65620000E+004 +4.98800000E+002 +9.99000000E+003 /

!NC3H7O2H<=>NC3H7O+OH    1  1  1
!PLOG / 0.1   6.05E58   -14.05   54131 /
!PLOG / 1.0   9.26E52   -11.91   53378 /
!PLOG / 100   1.38E33   -5.27    48696 /
	! (300-1000 K) from D. Chen et al., J. Phys. Chem. A 115 (2011) 602-611.
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
NC3H7O2+H2<=>NC3H7O2H+H                           +3.01000000E+013 +0.00000000E+000 +2.60300000E+004 !\Author: WARNING !\Ref: TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15 !\Comment: WARNING 
!NC3H7O2+HO2<=>NC3H7O2H+O2                         +1.05000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: TSANG, JPC REF. DATA, 16 !\Comment: WARNING 
!NC3H7O2+HO2<=>NC3H7O2H+O2     1.0E11 0.0 -2.6E3
!NC3H7O2+H2O2<=>NC3H7O2H+HO2                           +2.41000000E+012 +0.00000000E+000 +9.93600000E+003 !\Author: WARNING !\Ref: !REF !\Comment: ADDED 29 / 07 / 2015 
NC3H7O2+CH2O<=>NC3H7O2H+HCO                       +5.60000000E+012 +0.00000000E+000 +1.36000000E+004 !\Author: WARNING !\Ref: ANALOGY TO CH2O+HO2 !\Comment: WARNING 
NC3H7O2+CH4<=>NC3H7O2H+CH3                        +7.00000000E-001 +3.95000000E+000 +2.14000000E+004 !\Author: SP\REF !\Ref: WARNING !\Comment: WARNING 
NC3H7O2+CH3OH<=>NC3H7O2H+CH2OH                    +6.30000000E+012 +0.00000000E+000 +1.93600000E+004 !\Author: WARNING !\Ref: ANALOGY TO CH3OH+HO2 !\Comment: WARNING 
NC3H7O2+CH3CHO<=>NC3H7O2H+CH3CO                   +2.80000000E+012 +0.00000000E+000 +1.36000000E+004 !\Author: WARNING !\Ref: HALF OF CH2O+HO2 !\Comment: WARNING 
NC3H7O2+C2H4<=>NC3H7O2H+C2H3                      +1.13000000E+013 +0.00000000E+000 +3.04300000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H4+HO2 !\Comment: WARNING 
NC3H7O2+C2H6<=>NC3H7O2H+C2H5                      +2.70000000E+000 +3.81000000E+000 +1.72000000E+004 !\Author: SP !\Ref: H-H CARSTENSEN, A.M. DEAN, O. DEUTSCHMANN, PROC. COMBUST. INST. 31(2007) 149-157 !\Comment: WARNING 
NC3H7O2+C2H3CHO<=>NC3H7O2H+C2H3CO                 +2.80000000E+012 +0.00000000E+000 +1.36000000E+004 !\Author: WARNING !\Ref: HALF OF CH2O+HO2 !\Comment: WARNING 
NC3H7O2+C2H5CHO<=>NC3H7O2H+C2H5CO                 +2.00000000E+011 +0.00000000E+000 +9.50000000E+003 !\Author: WARNING !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: NC3H7O2H
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: IC3H7O2H
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
!IC3H7O+OH<=>IC3H7O2H                              +1.00000000E+015 -8.00000000E-001 +0.00000000E+000 !\Author: WARNING !\Ref: PITZ ESTIMATE !\Comment: WARNING 
IC3H7O2H=IC3H7O+OH             2.049E+19	-1.090	44358
!IC3H7O2H(+M)=IC3H7O+OH(+M)                         +4.04972000E+019 -1.15300000E+000 +4.42504900E+004 !\Author: SP !\Ref: A.W.JASPER, S.J.KLIPPENSTEIN, L.B.HARDING, PROC.COMBUST.INST. 32(2009) 279-286 !\Comment: WARNING 
!LOW /                                             +3.80285000E+042 -7.50200000E+000 +4.67560970E+004 /
!TROE /                           +8.37500000E-001 +3.65620000E+004 +4.98800000E+002 +9.99000000E+003 /
!IC3H7O2H=IC3H7O+OH    1  1  1
!PLOG / 0.1   6.05E58   -14.05   54131 /
!PLOG / 1.0   9.26E52   -11.91   53378 /
!PLOG / 100   1.38E33   -5.27    48696 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
IC3H7O2+H2<=>IC3H7O2H+H                           +3.01000000E+013 +0.00000000E+000 +2.60300000E+004 !\Author: WARNING !\Ref: TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15 !\Comment: WARNING 
!IC3H7O2+HO2<=>IC3H7O2H+O2                         +1.05000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: TSANG, JPC REF. DATA, 16 !\Comment: WARNING 
!IC3H7O2+HO2<=>IC3H7O2H+O2     1.0E11 0.0 -2.6E3
NC3H7O2+HO2=NC3H7O2H+O2     1.575E+10	0.000	-3273  
IC3H7O2+HO2=IC3H7O2H+O2     1.575E+10	0.000	-3273

NC3H7O2+HO2=>H2O+O2+C2H5CHO     1.750E+9	0.000	-3273  
IC3H7O2+HO2=>H2O+O2+CH3COCH3    1.750E+9	0.000	-3273

IC3H7O2+CH2O<=>IC3H7O2H+HCO                       +5.60000000E+012 +0.00000000E+000 +1.36000000E+004 !\Author: WARNING !\Ref: ANALOGY TO CH2O+HO2 !\Comment: WARNING 
!IC3H7O2+H2O2<=>IC3H7O2H+HO2                           +2.41000000E+012 +0.00000000E+000 +9.93600000E+003 !\Author: WARNING !\Ref: !REF !\Comment: ADDED 29 / 07 / 2015 
IC3H7O2+CH4<=>IC3H7O2H+CH3                        +3.06000000E+000 +3.87000000E+000 +2.18000000E+004 !\Author: SP !\Ref: H-H CARSTENSEN, A.M. DEAN, O. DEUTSCHMANN, PROC. COMBUST. INST. 31(2007) 149-157 !\Comment: WARNING 
C3H6OOH2-1+CH4<=>CH3+IC3H7O2H                     +3.06000000E+000 +3.87000000E+000 +2.18000000E+004 !\Author: SP !\Ref: H-H CARSTENSEN, A.M. DEAN, O. DEUTSCHMANN, PROC. COMBUST. INST. 31(2007) 149-157 !\Comment: WARNING 
C3H6OOH2-1+C2H6<=>C2H5+IC3H7O2H                   +1.06000000E+001 +3.69000000E+000 +1.75000000E+004 !\Author: SP !\Ref: H-H CARSTENSEN, A.M. DEAN, O. DEUTSCHMANN, PROC. COMBUST. INST. 31(2007) 149-157 !\Comment: WARNING 
IC3H7O2+CH3CHO<=>IC3H7O2H+CH3CO                   +2.80000000E+012 +0.00000000E+000 +1.36000000E+004 !\Author: WARNING !\Ref: HALF OF CH2O+HO2 !\Comment: WARNING 
IC3H7O2+C2H4<=>IC3H7O2H+C2H3                      +1.13000000E+013 +0.00000000E+000 +3.04300000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H4+HO2 !\Comment: WARNING 
IC3H7O2+CH3OH<=>IC3H7O2H+CH2OH                    +6.30000000E+012 +0.00000000E+000 +1.93600000E+004 !\Author: WARNING !\Ref: ANALOGY TO CH3OH+HO2 !\Comment: WARNING 
IC3H7O2+C2H6<=>IC3H7O2H+C2H5                      +1.06000000E+001 +3.69000000E+000 +1.75000000E+004 !\Author: SP !\Ref: H-H CARSTENSEN, A.M. DEAN, O. DEUTSCHMANN, PROC. COMBUST. INST. 31(2007) 149-157 !\Comment: WARNING 
IC3H7O2+C2H3CHO<=>IC3H7O2H+C2H3CO                 +2.80000000E+012 +0.00000000E+000 +1.36000000E+004 !\Author: WARNING !\Ref: HALF OF CH2O+HO2 !\Comment: WARNING 
IC3H7O2+C2H5CHO<=>IC3H7O2H+C2H5CO                 +2.00000000E+011 +0.00000000E+000 +9.50000000E+003 !\Author: WARNING !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2+RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 

IC3H7O2+CH3O2=>IC3H7O+CH3O+O2    11.3E9 0.0 0.0E0
!\Author: SP !\Ref: JOHNSON, D.; PRICE, D.W.; MARSTON, G.; ATMOS. ENVIRON. 38(2004) 1447 - 1458 !\Comment: WARNING
IC3H7O2+CH3O2=>IC3H7OH+CH2O+O2    1.258E9 0.0 0.0E0


!\Author: SP !\Ref: JOHNSON, D.; PRICE, D.W.; MARSTON, G.; ATMOS. ENVIRON. 38(2004) 1447 - 1458 !\Comment: WARNING
IC3H7O2+C2H5O2=>IC3H7O+C2H5O+O2    1.8E9 0.0 0.0E0
!\Author: SP !\Ref: JOHNSON, D.; PRICE, D.W.; MARSTON, G.; ATMOS. ENVIRON. 38(2004) 1447 - 1458 !\Comment: WARNING
IC3H7O2+C2H5O2=>IC3H7OH+CH3CHO+O2    2E8 0.0 0.0E0


!IC3H7O2+IC3H7O2=>IC3H7O+IC3H7O+O2                 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
IC3H7O2+CH3CO3=>IC3H7O+CH3CO2+O2                  +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
IC3H7O2+CH3<=>IC3H7O+CH3O                         +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
IC3H7O2+C2H5<=>IC3H7O+C2H5O                       +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
IC3H7O2+IC3H7<=>IC3H7O+IC3H7O                     +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
IC3H7O2+NC3H7<=>IC3H7O+NC3H7O                     +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: IC3H7O2H
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: C3H6O1-2/C3H6O1-3
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C3H6O1-2=C2H5CHO                                  +6.00000000E+073 -1.70000000E+001 +9.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2=CH3COCH3                                 +2.60000000E+083 -2.00000000E+001 +1.00000000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2=CH3OCHCH2                                +1.00000000E+049 -1.00000000E+001 +8.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2=SC3H5OH                                  +2.20000000E+013 +0.00000000E+000 +6.01700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2=C2H5+HCO                                 +2.45000000E+013 +0.00000000E+000 +5.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2=CH3+CH2CHO                               +2.45000000E+013 +0.00000000E+000 +5.88000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2=CH3+CH3CO                                +4.54000000E+013 +0.00000000E+000 +5.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!C3H6O1-2=CJCYCCO+H                                +8.00000000E+015 +0.00000000E+000 +9.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2=CJCYCCO+H                                 6.07E+14	0.19	1.00E+05!\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!C3H6O1-2=CCYCCJO+H                                +1.80000000E+013 +2.00000000E-001 +7.17800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2=CCYCCJO+H                                 9.60E+14	0.09	9.62E+04!\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!C3H6O1-2=CCYCCO-T1+H                                +1.80000000E+013 +2.00000000E-001 +7.17800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2=CCYCCO-T1+H                               9.60E+14	0.09	9.62E+04!\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C3H6O1-2=CH3+C2H3O1-2                             +8.00000000E+015 +0.00000000E+000 +9.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2=CH3CHCHO+H                               +1.80000000E+013 +2.00000000E-001 +7.17800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2=C2H5CO+H                                 +2.40000000E+013 +2.50000000E-001 +6.53100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2+H=CH3+C2H4O1-2                           +2.77000000E+001 +3.50000000E+000 +5.20000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2+H=C3H5-A+H2O                             +5.00000000E+009 +0.00000000E+000 +5.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2+H=C3H6+OH                                +9.50000000E+010 +0.00000000E+000 +5.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2+H=H2+CJCYCCO                             +5.54000000E+002 +3.50000000E+000 +5.20000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2+CH3=CH4+CJCYCCO                          +1.00000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2+O2<=>CJCYCCO+HO2                         +2.10000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2+OH=H2O+CJCYCCO                           +5.27000000E+009 +1.00000000E+000 +1.58600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2+HO2=H2O2+CJCYCCO                         +2.04000000E+001 +3.59000000E+000 +1.71600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2+O=OH+CJCYCCO                             +5.60000000E+013 +0.00000000E+000 +7.85000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2+C2H3O1-2=C2H4O1-2+CJCYCCO                +2.25000000E+000 +3.65000000E+000 +9.10000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2+H=CCYCCJO+H2                             +2.00000000E+013 +0.00000000E+000 +8.31000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2+O=CCYCCJO+OH                             +1.90000000E+012 +0.00000000E+000 +5.25000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2+OH=CCYCCJO+H2O                           +4.80000000E+013 +0.00000000E+000 +5.95500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2+HO2=CCYCCJO+H2O2                         +4.00000000E+012 +0.00000000E+000 +1.70000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2+O2=CCYCCJO+HO2                           +4.00000000E+013 +0.00000000E+000 +6.15000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2+CH3=CCYCCJO+CH4                          +1.10000000E+012 +0.00000000E+000 +1.18300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2+H=CCYCCO-T1+H2                             +1.00000000E+013 +0.00000000E+000 +6.81000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2+O=CCYCCO-T1+OH                             +1.90000000E+012 +0.00000000E+000 +5.25000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2+OH=CCYCCO-T1+H2O                           +2.70000000E+013 +0.00000000E+000 +3.61000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2+HO2=CCYCCO-T1+H2O2                         +1.13000000E+019 -1.68000000E+000 +2.36000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2+O2=CCYCCO-T1+HO2                           +1.00000000E+013 +0.00000000E+000 +5.87700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O1-2+CH3=CCYCCO-T1+CH4                          +1.10000000E+012 +0.00000000E+000 +1.18300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!DONG 0504
C3H5O<=>CJCYCCO                                      1.0E11  0.0  0.0 
PLOG/ 0.001 3.17e+020 -4.15 12121.3/
PLOG/ 0.01 4.79e+024 -5.03 14606.1/
PLOG/ 0.1 1.9e+026 -5.16 16124.4/
PLOG/ 1 1.51e+028 -5.4 18165.4/
PLOG/ 10 2.42e+028 -5.17 19691.2/
PLOG/ 100 5.57e+024 -3.86 19395.2/
PLOG/ 1000 1.35e+018 -1.73 17386.5/

!DONG 0504!CJCYCCO=CH3+CH2CO                                 +1.51000000E+014 +0.00000000E+000 +5.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0504!CJCYCCO=C2H4+HCO                                  +2.45000000E+014 +0.00000000E+000 +5.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CJCYCCO<=>C2H4+HCO     1.0E11  0.0  0.0 
PLOG/ 0.001 8.23e+026 -5.84 19356.9/
PLOG/ 0.01 1.32e+029 -6.21 21293.6/
PLOG/ 0.1 3.47e+032 -6.96 24197.3/
PLOG/ 1 1.44e+036 -7.76 28007.8/
PLOG/ 10 9.72e+037 -8.02 32394.6/
PLOG/ 100 2.43e+031 -5.81 34295.8/
PLOG/ 1000 3.73e+014 -0.726 32008.3/
CJCYCCO<=>C2H3CHO+H     1.0E11  0.0  0.0 
PLOG/ 0.001 4.93e+024 -5.05 20108.4/
PLOG/ 0.01 2.14e+028 -5.8 22219.4/
PLOG/ 0.1 1.93e+032 -6.64 25108.2/
PLOG/ 1 8.6e+034 -7.11 28209.1/
PLOG/ 10 2.17e+034 -6.64 30647.6/
PLOG/ 100 4.17e+028 -4.71 31231.9/
PLOG/ 1000 3.98e+018 -1.62 30129.8/
!DONG 0504!CJCYCCO=C2H3+CH2O                                 +3.24000000E+013 +0.00000000E+000 +5.88000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CJCYCCO<=>C2H3+CH2O     1.0E11  0.0  0.0 
PLOG/ 0.001 3.3e+009 -0.638 19747.8/
PLOG/ 0.01 3.36e+021 -3.9 23945.2/
PLOG/ 0.1 2.91e+029 -5.9 27249.7/
PLOG/ 1 1.83e+034 -6.94 30690.4/
PLOG/ 10 9.72e+033 -6.5 33002.5/
PLOG/ 100 2.68e+027 -4.26 33305.6/
PLOG/ 1000 8.81e+014 -0.326 31553.1/
CJCYCCO<=>CH2CH2CHO     1.0E11  0.0  0.0 
PLOG/ 0.001 8.01e-092 27.8 -37321.2/
PLOG/ 0.01 7.78e-011 3.7 -2766.86/
PLOG/ 0.1 5.11e+015 -2.76 15937.6/
PLOG/ 1 4.48e+025 -5.2 21532.2/
PLOG/ 10 3.97e+034 -7.41 28116.9/
PLOG/ 100 5.62e+022 -3.56 25806.7/
PLOG/ 1000 2.51e+020 -2.63 29288.4/


CCYCCJO=CH3CHCHO                                  +8.70000000E+031 -6.90000000E+000 +1.49940000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CCYCCJO=CH3CHCO+H                                 +5.00000000E+013 +0.00000000E+000 +1.48630000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CCYCCJO=C2H5+CO                                   +7.10000000E+012 +0.00000000E+000 +1.42800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CCYCCO-T1=CH3COCH2                                  +8.70000000E+031 -6.90000000E+000 +1.49940000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!CCYCJCO=CH3+CH2CO                                 +7.10000000E+012 +0.00000000E+000 +1.42800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH3OCHCH2+H=CH2CHOCH2+H2                          +1.00000000E+014 +0.00000000E+000 +9.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH3OCHCH2+CH3=CH2CHOCH2+CH4                       +5.00000000E+002 +0.00000000E+000 +8.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH3OCHCH2+C2H5=CH2CHOCH2+C2H6                     +1.00000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!CH2OCHCH2=CH2O+C2H3                               +3.20000000E+014 +0.00000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH3OCHCH2=CH2CHO+CH3                              +2.60000000E+016 +0.00000000E+000 +7.10000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH3OCHCH2+OH=CH2CHOCH2+H2O                        +4.68000000E+005 +2.30000000E+000 -7.80700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH3OCHCH2+O=CH2CHOCH2+OH                          +3.88000000E+008 +1.40000000E+000 +2.25000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH3OCHCH2+HO2=CH2CHOCH2+H2O2                      +1.59000000E-003 +4.60000000E+000 +1.05560000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H3O1-2+H=C2H4O1-2                               +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH2CHO+H=CH3CHO                                   +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH3CO+H=CH3CHO                                    +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C3H6O1-3<=>C2H4+CH2O                              +6.00000000E+014 +0.00000000E+000 +6.00000000E+004 !\Author: WARNING !\Ref: WESTBROOK AND PITZ ESTIMATE(1983) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C3H6O1-3+OH<=>CH2CH2CHO+H2O                       +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: PITZ ESTIMATE !\Comment: WARNING 
C3H6O1-3+O<=>CH2CH2CHO+OH                         +8.43000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: SP !\Ref: PITZ ESTIMATE !\Comment: WARNING 
C3H6O1-3+H<=>CH2CH2CHO+H2                         +2.63000000E+007 +2.00000000E+000 +5.00000000E+003 !\Author: SP !\Ref: PITZ ESTIMATE !\Comment: WARNING 
C3H6O1-3+CH3O2<=>CH2CH2CHO+CH3O2H                 +1.00000000E+013 +0.00000000E+000 +1.90000000E+004 !\Author: SP !\Ref: PITZ ESTIMATE !\Comment: WARNING 
C3H6O1-3+HO2<=>CH2CH2CHO+H2O2                     +1.00000000E+013 +0.00000000E+000 +1.50000000E+004 !\Author: SP !\Ref: PITZ ESTIMATE !\Comment: WARNING 
C3H6O1-3+CH3<=>CH2CH2CHO+CH4                      +2.00000000E+011 +0.00000000E+000 +1.00000000E+004 !\Author: SP !\Ref: PITZ ESTIMATE !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: C3H6O1-2/C3H6O1-3
!===========================================================================================================
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C3H8
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C3H6
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CH2(S)+C2H4<=>CC3H6                               +2.71000000E+050 -1.12000000E+001 +1.67000000E+004 !\Author: WARNING !\Ref: YE, GEORGIEVSKII, KLIPPENSTEIN, PROC. COMBUST. 35(2015) 223-230 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.44000000E+051 -1.31000000E+001 +1.42000000E+004 /
PLOG /                           +1.00000000E-002 +6.16000000E+040 -1.05000000E+001 +5.42810000E+003 /
PLOG /                           +1.00000000E-001 +3.38000000E+054 -1.36000000E+001 +1.65000000E+004 /
PLOG /                           +1.00000000E-001 +6.93000000E+041 -1.03000000E+001 +6.18890000E+003 /
PLOG /                           +1.00000000E+000 +1.35000000E+054 -1.30000000E+001 +1.89000000E+004 /
PLOG /                           +1.00000000E+000 +1.81000000E+037 -8.55000000E+000 +5.52100000E+003 /
PLOG /                           +1.00000000E+001 +2.73000000E+047 -1.08000000E+001 +1.42000000E+004 /
PLOG /                           +1.00000000E+001 +4.26000000E+037 -8.32000000E+000 +4.77020000E+003 /
PLOG /                           +1.00000000E+002 +2.71000000E+050 -1.12000000E+001 +1.67000000E+004 /
PLOG /                           +1.00000000E+002 +4.68000000E+035 -7.37000000E+000 +4.68910000E+003 /
CH2(S)+C2H4<=>C3H6                                +6.07000000E+047 -9.85000000E+000 +2.21000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.82000000E+057 -1.43000000E+001 +1.71000000E+004 /
PLOG /                           +1.00000000E-002 +1.15000000E+045 -1.11000000E+001 +6.14520000E+003 /
PLOG /                           +1.00000000E-001 +3.84000000E+059 -1.44000000E+001 +1.84000000E+004 /
PLOG /                           +1.00000000E-001 +1.83000000E+045 -1.07000000E+001 +6.63850000E+003 /
PLOG /                           +1.00000000E+000 +2.13000000E+058 -1.35000000E+001 +2.04000000E+004 /
PLOG /                           +1.00000000E+000 +1.30000000E+040 -8.77000000E+000 +5.86380000E+003 /
PLOG /                           +1.00000000E+001 +8.48000000E+052 -1.16000000E+001 +2.07000000E+004 /
PLOG /                           +1.00000000E+001 +2.27000000E+032 -6.14000000E+000 +4.31790000E+003 /
PLOG /                           +1.00000000E+002 +6.07000000E+047 -9.85000000E+000 +2.21000000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+024 -3.49000000E+000 +2.52990000E+003 /
CH2(S)+C2H4<=>C3H5-A+H                            +6.51000000E+026 -3.58000000E+000 +1.89000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.20000000E+019 -2.06000000E+000 +1.15000000E+003 /
PLOG /                           +1.00000000E-002 +1.08000000E+007 +1.62000000E+000 -3.17460000E+003 /
PLOG /                           +1.00000000E-001 +2.27000000E+021 -2.44000000E+000 +2.65000000E+003 /
PLOG /                           +1.00000000E-001 +1.37000000E+005 +2.15000000E+000 -3.79920000E+003 /
PLOG /                           +1.00000000E+000 +4.44000000E+035 -6.55000000E+000 +1.39000000E+004 /
PLOG /                           +1.00000000E+000 +3.89000000E+014 -4.20000000E-001 +1.23760000E+003 /
PLOG /                           +1.00000000E+001 +1.18000000E+028 -4.09000000E+000 +1.40000000E+004 /
PLOG /                           +1.00000000E+001 +2.45000000E+010 +6.70000000E-001 +7.50930000E+002 /
PLOG /                           +1.00000000E+002 +6.51000000E+026 -3.58000000E+000 +1.89000000E+004 /
PLOG /                           +1.00000000E+002 +1.81000000E+002 +2.97000000E+000 -7.46030000E+002 /
CH2(S)+C2H4<=>C2H3+CH3                            +7.36000000E+029 -4.28000000E+000 +2.38000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.77000000E+019 -1.94000000E+000 +6.79000000E+003 /
PLOG /                           +1.00000000E-002 +4.30000000E+012 +1.90000000E-001 -1.10410000E+002 /
PLOG /                           +1.00000000E-001 +1.68000000E+019 -1.80000000E+000 +4.31000000E+003 /
PLOG /                           +1.00000000E-001 +2.26000000E+011 +5.40000000E-001 +4.78100000E+001 /
PLOG /                           +1.00000000E+000 +4.16000000E+024 -3.19000000E+000 +9.76000000E+003 /
PLOG /                           +1.00000000E+000 +4.92000000E+009 +1.02000000E+000 +5.99770000E+002 /
PLOG /                           +1.00000000E+001 +7.89000000E+024 -3.07000000E+000 +1.39000000E+004 /
PLOG /                           +1.00000000E+001 +1.47000000E+008 +1.33000000E+000 +1.22840000E+003 /
PLOG /                           +1.00000000E+002 +7.36000000E+029 -4.28000000E+000 +2.38000000E+004 /
PLOG /                           +1.00000000E+002 +8.11000000E+010 +5.50000000E-001 +5.50650000E+003 /
C2H3+CH3<=>C3H5-A+H                               +5.16000000E+028 -4.03000000E+000 +2.38000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.12000000E+029 -4.95000000E+000 +8.00000000E+003 /
PLOG /                           +1.00000000E-002 +5.73000000E+015 -7.70000000E-001 +1.19590000E+003 /
PLOG /                           +1.00000000E-001 +4.86000000E+030 -5.03000000E+000 +1.13000000E+004 /
PLOG /                           +1.00000000E-001 +2.06000000E+013 -7.40000000E-002 +1.42870000E+003 /
PLOG /                           +1.00000000E+000 +5.30000000E+029 -4.57000000E+000 +1.44000000E+004 /
PLOG /                           +1.00000000E+000 +4.48000000E+010 +6.00000000E-001 +1.42160000E+003 /
PLOG /                           +1.00000000E+001 +1.32000000E+030 -4.54000000E+000 +1.93000000E+004 /
PLOG /                           +1.00000000E+001 +4.10000000E+006 +1.71000000E+000 +1.05690000E+003 /
PLOG /                           +1.00000000E+002 +5.16000000E+028 -4.03000000E+000 +2.38000000E+004 /
PLOG /                           +1.00000000E+002 +1.37000000E-001 +3.91000000E+000 -3.53550000E+002 /
C3H6<=>C2H3+CH3                                   +2.15000000E+064 -1.34000000E+001 +1.35000000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.88000000E+078 -1.87000000E+001 +1.30000000E+005 /
PLOG /                           +1.00000000E-002 +1.69000000E+059 -1.36000000E+001 +1.13290000E+005 /
PLOG /                           +1.00000000E-001 +8.73000000E+076 -1.79000000E+001 +1.32000000E+005 /
PLOG /                           +1.00000000E-001 +2.00000000E+060 -1.37000000E+001 +1.14890000E+005 /
PLOG /                           +1.00000000E+000 +5.80000000E+075 -1.72000000E+001 +1.34000000E+005 /
PLOG /                           +1.00000000E+000 +6.70000000E+054 -1.18000000E+001 +1.13840000E+005 /
PLOG /                           +1.00000000E+001 +8.12000000E+071 -1.58000000E+001 +1.36000000E+005 /
PLOG /                           +1.00000000E+001 +1.06000000E+047 -9.27000000E+000 +1.11510000E+005 /
PLOG /                           +1.00000000E+002 +2.15000000E+064 -1.34000000E+001 +1.35000000E+005 /
PLOG /                           +1.00000000E+002 +7.29000000E+038 -6.70000000E+000 +1.08740000E+005 /
C3H6<=>C3H5-A+H                                   +8.05000000E+056 -1.15000000E+001 +1.22000000E+005 !\Author: WARNING !\Ref: YE, GEORGIEVSKII, KLIPPENSTEIN, PROC. COMBUST. 35(2015) 223-230 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +9.16000000E+074 -1.76000000E+001 +1.20000000E+005 /
PLOG /                           +1.00000000E-002 +2.98000000E+054 -1.23000000E+001 +1.01200000E+005 /
PLOG /                           +1.00000000E-001 +1.73000000E+070 -1.60000000E+001 +1.20000000E+005 /
PLOG /                           +1.00000000E-001 +1.37000000E+043 -8.87000000E+000 +9.63650000E+004 /
PLOG /                           +1.00000000E+000 +1.08000000E+071 -1.59000000E+001 +1.24860000E+005 /
PLOG /                           +1.00000000E+000 +6.28000000E+042 -8.51000000E+000 +9.80040000E+004 /
PLOG /                           +1.00000000E+001 +6.40000000E+065 -1.42000000E+001 +1.25000000E+005 /
PLOG /                           +1.00000000E+001 +4.73000000E+035 -6.26000000E+000 +9.56440000E+004 /
PLOG /                           +1.00000000E+002 +8.05000000E+056 -1.15000000E+001 +1.22000000E+005 /
PLOG /                           +1.00000000E+002 +4.34000000E+028 -4.06000000E+000 +9.31140000E+004 /
C3H6<=>CC3H6                                      +1.45000000E+062 -1.36000000E+001 +1.10000000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.26000000E+064 -1.56000000E+001 +9.50000000E+004 /
PLOG /                           +1.00000000E-002 +4.84000000E+041 -9.62000000E+000 +7.95280000E+004 /
PLOG /                           +1.00000000E-001 +3.94000000E+067 -1.62000000E+001 +1.01000000E+005 /
PLOG /                           +1.00000000E-001 +8.07000000E+044 -1.02000000E+001 +8.26710000E+004 /
PLOG /                           +1.00000000E+000 +6.14000000E+068 -1.62000000E+001 +1.06000000E+005 /
PLOG /                           +1.00000000E+000 +1.15000000E+047 -1.06000000E+001 +8.55020000E+004 /
PLOG /                           +1.00000000E+001 +9.70000000E+066 -1.53000000E+001 +1.09000000E+005 /
PLOG /                           +1.00000000E+001 +1.33000000E+039 -7.98000000E+000 +8.33030000E+004 /
PLOG /                           +1.00000000E+002 +1.45000000E+062 -1.36000000E+001 +1.10000000E+005 /
PLOG /                           +1.00000000E+002 +4.97000000E+031 -5.60000000E+000 +8.09870000E+004 /
CC3H6<=>C3H5-A+H                                  +4.82000000E+057 -1.17000000E+001 +1.18000000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.33000000E+063 -1.46000000E+001 +1.03000000E+005 /
PLOG /                           +1.00000000E-002 +1.12000000E+040 -8.37000000E+000 +8.58360000E+004 /
PLOG /                           +1.00000000E-001 +7.03000000E+063 -1.44000000E+001 +1.07000000E+005 /
PLOG /                           +1.00000000E-001 +1.06000000E+041 -8.33000000E+000 +8.84990000E+004 /
PLOG /                           +1.00000000E+000 +5.07000000E+064 -1.43000000E+001 +1.12000000E+005 /
PLOG /                           +1.00000000E+000 +8.23000000E+043 -8.88000000E+000 +9.29070000E+004 /
PLOG /                           +1.00000000E+001 +4.92000000E+061 -1.32000000E+001 +1.15000000E+005 /
PLOG /                           +1.00000000E+001 +1.27000000E+039 -7.33000000E+000 +9.34010000E+004 /
PLOG /                           +1.00000000E+002 +4.82000000E+057 -1.17000000E+001 +1.18000000E+005 /
PLOG /                           +1.00000000E+002 +1.45000000E+028 -4.02000000E+000 +9.09950000E+004 /
CC3H6<=>C2H3+CH3                                  +7.87000000E+062 -1.31000000E+001 +1.27000000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.31000000E+064 -1.51000000E+001 +1.11000000E+005 /
PLOG /                           +1.00000000E-002 +1.51000000E+049 -1.10000000E+001 +9.97480000E+004 /
PLOG /                           +1.00000000E-001 +8.29000000E+064 -1.47000000E+001 +1.14000000E+005 /
PLOG /                           +1.00000000E-001 +1.05000000E+045 -9.46000000E+000 +9.92750000E+004 /
PLOG /                           +1.00000000E+000 +1.00000000E+070 -1.57000000E+001 +1.22000000E+005 /
PLOG /                           +1.00000000E+000 +3.39000000E+050 -1.06000000E+001 +1.04220000E+005 /
PLOG /                           +1.00000000E+001 +1.66000000E+067 -1.46000000E+001 +1.24000000E+005 /
PLOG /                           +1.00000000E+001 +1.76000000E+047 -9.43000000E+000 +1.04930000E+005 /
PLOG /                           +1.00000000E+002 +7.87000000E+062 -1.31000000E+001 +1.27000000E+005 /
PLOG /                           +1.00000000E+002 +1.88000000E+039 -6.93000000E+000 +1.03980000E+005 /
C3H5-T+H<=>C3H6                                   +1.15000000E+050 -1.04000000E+001 +2.33000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.96000000E+060 -1.52000000E+001 +1.80000000E+004 /
PLOG /                           +1.00000000E-002 +1.49000000E+048 -1.20000000E+001 +7.20330000E+003 /
PLOG /                           +1.00000000E-001 +3.20000000E+062 -1.51000000E+001 +2.01000000E+004 /
PLOG /                           +1.00000000E-001 +6.76000000E+046 -1.11000000E+001 +7.62990000E+003 /
PLOG /                           +1.00000000E+000 +2.31000000E+060 -1.40000000E+001 +2.19000000E+004 /
PLOG /                           +1.00000000E+000 +1.09000000E+040 -8.66000000E+000 +6.44780000E+003 /
PLOG /                           +1.00000000E+001 +3.69000000E+054 -1.20000000E+001 +2.21000000E+004 /
PLOG /                           +1.00000000E+001 +2.38000000E+031 -5.73000000E+000 +4.50600000E+003 /
PLOG /                           +1.00000000E+002 +1.15000000E+050 -1.04000000E+001 +2.33000000E+004 /
PLOG /                           +1.00000000E+002 +5.69000000E+025 -3.83000000E+000 +3.25040000E+003 /
C3H5-T+H<=>C3H5-A+H                               +2.28000000E+029 -4.12000000E+000 +2.09000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.11000000E+017 -1.08000000E+000 +1.29000000E+003 /
PLOG /                           +1.00000000E-002 +6.41000000E+003 +2.61000000E+000 -3.77840000E+003 /
PLOG /                           +1.00000000E-001 +9.05000000E+029 -4.91000000E+000 +8.54000000E+003 /
PLOG /                           +1.00000000E-001 +5.19000000E+014 -3.00000000E-001 +1.09040000E+003 /
PLOG /                           +1.00000000E+000 +2.98000000E+030 -4.79000000E+000 +1.20000000E+004 /
PLOG /                           +1.00000000E+000 +8.17000000E+011 +4.90000000E-001 +1.18460000E+003 /
PLOG /                           +1.00000000E+001 +8.22000000E+028 -4.14000000E+000 +1.54000000E+004 /
PLOG /                           +1.00000000E+001 +2.79000000E+009 +1.09000000E+000 +1.18750000E+003 /
PLOG /                           +1.00000000E+002 +2.28000000E+029 -4.12000000E+000 +2.09000000E+004 /
PLOG /                           +1.00000000E+002 +6.75000000E+003 +2.70000000E+000 +3.73800000E+002 /
C3H5-T+H<=>C2H3+CH3                               +3.15000000E+032 -4.83000000E+000 +2.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.31000000E+016 -6.90000000E-001 +5.20000000E+003 /
PLOG /                           +1.00000000E-002 +8.04000000E+013 -1.40000000E-001 +1.15000000E+003 /
PLOG /                           +1.00000000E-001 +9.04000000E+016 -8.10000000E-001 +4.80000000E+003 /
PLOG /                           +1.00000000E-001 +7.17000000E+010 +6.70000000E-001 +6.73800000E+002 /
PLOG /                           +1.00000000E+000 +2.01000000E+024 -2.86000000E+000 +1.09000000E+004 /
PLOG /                           +1.00000000E+000 +9.97000000E+008 +1.36000000E+000 +1.59640000E+003 /
PLOG /                           +1.00000000E+001 +2.75000000E+026 -3.31000000E+000 +1.58000000E+004 /
PLOG /                           +1.00000000E+001 +7.41000000E+007 +1.57000000E+000 +2.10880000E+003 /
PLOG /                           +1.00000000E+002 +3.15000000E+032 -4.83000000E+000 +2.60000000E+004 /
PLOG /                           +1.00000000E+002 +2.70000000E+012 +3.20000000E-001 +6.79180000E+003 /
C3H5-S+H<=>C3H6                                   +1.42000000E+014 -6.00000000E-002 +2.40000000E+001 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.82000000E+056 -1.42800000E+001 +1.64070000E+004 /
PLOG /                           +1.00000000E-002 +1.95000000E+045 -1.14000000E+001 +6.30900000E+003 /
PLOG /                           +1.00000000E-001 +1.24000000E+062 -1.52200000E+001 +1.91120000E+004 /
PLOG /                           +1.00000000E-001 +2.65000000E+048 -1.17500000E+001 +7.58400000E+003 /
PLOG /                           +1.00000000E+000 +3.77000000E+060 -1.42400000E+001 +2.06030000E+004 /
PLOG /                           +1.00000000E+000 +4.28000000E+042 -9.54000000E+000 +6.78900000E+003 /
PLOG /                           +1.00000000E+001 +9.10000000E+056 -1.27400000E+001 +2.22840000E+004 /
PLOG /                           +1.00000000E+001 +4.44000000E+034 -6.79000000E+000 +5.17000000E+003 /
PLOG /                           +1.00000000E+002 +6.39000000E+049 -1.03500000E+001 +2.19020000E+004 /
PLOG /                           +1.00000000E+002 +5.11000000E+026 -4.13000000E+000 +3.31300000E+003 /
PLOG /                           +1.00000000E+003 +1.42000000E+014 -6.00000000E-002 +2.40000000E+001 /
PLOG /                           +1.00000000E+003 +4.42000000E+011 +6.50000000E-001 -3.06000000E+002 /
C3H5-S+H<=>C3H5-A+H                               +3.74000000E+028 -3.92000000E+000 +1.85610000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.47000000E+016 -8.40000000E-001 +7.11000000E+002 /
PLOG /                           +1.00000000E-002 +4.53000000E+002 +2.94000000E+000 -4.34200000E+003 /
PLOG /                           +1.00000000E-001 +1.47000000E+021 -2.26000000E+000 +3.18000000E+003 /
PLOG /                           +1.00000000E-001 +3.31000000E+011 +5.90000000E-001 -7.49000000E+002 /
PLOG /                           +1.00000000E+000 +1.75000000E+030 -4.82000000E+000 +1.02840000E+004 /
PLOG /                           +1.00000000E+000 +1.59000000E+013 +1.60000000E-001 +9.63000000E+002 /
PLOG /                           +1.00000000E+001 +7.23000000E+028 -4.17000000E+000 +1.36140000E+004 /
PLOG /                           +1.00000000E+001 +1.24000000E+010 +9.80000000E-001 +8.42000000E+002 /
PLOG /                           +1.00000000E+002 +3.74000000E+028 -3.92000000E+000 +1.85610000E+004 /
PLOG /                           +1.00000000E+002 +1.36000000E+006 +2.06000000E+000 +4.47000000E+002 /
C3H5-S+H<=>C2H3+CH3                               +9.72000000E+030 -4.44000000E+000 +2.28340000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.43000000E+016 -5.90000000E-001 +4.57300000E+003 /
PLOG /                           +1.00000000E-002 +4.31000000E+013 -1.00000000E-002 +4.35000000E+002 /
PLOG /                           +1.00000000E-001 +1.76000000E+015 -3.14000000E-001 +3.08700000E+003 /
PLOG /                           +1.00000000E-001 +9.21000000E+013 -2.20000000E-001 +7.82000000E+002 /
PLOG /                           +1.00000000E+000 +2.09000000E+022 -2.34000000E+000 +8.15700000E+003 /
PLOG /                           +1.00000000E+000 +9.24000000E+009 +1.12000000E+000 +8.44000000E+002 /
PLOG /                           +1.00000000E+001 +1.76000000E+025 -3.01000000E+000 +1.31770000E+004 /
PLOG /                           +1.00000000E+001 +4.40000000E+008 +1.41000000E+000 +1.35100000E+003 /
PLOG /                           +1.00000000E+002 +9.72000000E+030 -4.44000000E+000 +2.28340000E+004 /
PLOG /                           +1.00000000E+002 +6.46000000E+012 +2.20000000E-001 +5.46900000E+003 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C3H6+H<=>C3H5-A+H2                                 6.97E+02           3.24E+00         3.33E+03!\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
C3H6+O2<=>C3H5-A+HO2                              +6.62000000E+017 -1.16000000E+000 +4.51000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6+O<=>C3H5-A+OH                                +9.68000000E-003 +4.54000000E+000 -2.46840000E+003 !\Author: SP !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
C3H6+OH<=>C3H5-A+H2O                              +2.10000000E+007 +1.77000000E+000 +2.71000000E+002 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C3H6+HO2<=>C3H5-A+H2O2                            +7.71000000E-002 +4.40000000E+000 +1.35470000E+004 !\Author: SP !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C3H6+CH3<=>C3H5-A+CH4                             +5.52000000E+001 +3.27000000E+000 +7.15000000E+003 !\Author: WARNING !\Ref: TSANG, W. J. PHYS. CHEM. REF. DATA 17, 887(1988) !\Comment: ADDED FROM LLNL PAH 
C3H6+CH3O<=>C3H5-A+CH3OH                          +8.40000000E+010 +0.00000000E+000 +2.60000000E+003 !\Author: WARNING !\Ref: BILL !\Comment: WARNING 
C3H6+CH3O2<=>C3H5-A+CH3O2H                        7.71E-02	4.40E+00	1.45E+04 !\Author: WARNING !\Ref: ANALOGY TO C3H6+HO2 !\Comment: WARNING 
C3H6+C2H5O2<=>C3H5-A+C2H5O2H                      7.68E-02	4.40E+00	1.55E+04
C3H6+C2H5<=>C3H5-A+C2H6                           +1.00000000E+011 +0.00000000E+000 +9.80000000E+003 !\Author: WARNING !\Ref: ALLARA, D. L. AND SHAW, R., J. PHYS. CHEM. REF. DATA 9, 523(1980) !\Comment: WARNING !C3H6+C2H5O2<=>C3H5-A+C2H5O2H +7.68000000E-002 +4.40300000E+000 +1.35472000E+004 
C3H6+CH3CO3<=>C3H5-A+CH3CO3H                      +7.68000000E-002 +4.40300000E+000 +1.35472000E+004 !\Author: WARNING !\Ref: ANALOGY TO C3H6+HO2 !\Comment: WARNING 
C3H6+IC3H7O2<=>C3H5-A+IC3H7O2H       7.68E-02	4.40E+00	1.65E+04
C3H6+NC3H7O2<=>C3H5-A+NC3H7O2H       7.68E-02	4.40E+00	1.65E+04
C3H6+H<=>C3H5-T+H2                                 3.11E+05           2.51E+00         9.65E+03!\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
C3H6+O<=>C3H5-T+OH                                +6.03000000E+010 +7.00000000E-001 +7.63200000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C2H4 !\Comment: WARNING 
C3H6+OH<=>C3H5-T+H2O                              +8.37000000E+012 +0.00000000E+000 +4.51049000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6+OH<=>C3H5-S+H2O                              +4.34000000E+012 +0.00000000E+000 +4.53433400E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6+HO2<=>C3H5-T+H2O2                            +1.56000000E+004 +2.82000000E+000 +2.44279000E+004 !\Author: WARNING !\Ref: C3 NUIG CALCULATION J.M !\Comment: WARNING 
C3H6+O2<=>C3H5-T+HO2                              +1.00000000E+013 +0.00000000E+000 +5.87700000E+004 !\Author: WARNING !\Ref: ESTIMATE C3 NUIG S. M. BURKE !\Comment: WARNING 
C3H6+CH3<=>C3H5-T+CH4                             +8.90000000E+001 +3.29000000E+000 +1.46000000E+004 !\Author: WARNING !\Ref: TSANG, W. J. PHYS. CHEM. REF. DATA 17, 887(1988) !\Comment: ADDED FROM LLNL PAH 
C3H6+H<=>C3H5-S+H2                                 1.21E+06           2.43E+00         1.29E+04!\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
C3H6+O2<=>C3H5-S+HO2                              +2.00000000E+013 +0.00000000E+000 +6.22700000E+004 !\Author: WARNING !\Ref: ESTIMATE C3 NUIG S. M. BURKE !\Comment: WARNING 
C3H6+O<=>C3H5-S+OH                                +1.20000000E+011 +7.00000000E-001 +8.95910000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C2H4 !\Comment: WARNING 
C3H6+HO2<=>C3H5-S+H2O2                            +9.57000000E+002 +3.05900000E+000 +2.07986000E+004 !\Author: WARNING !\Ref: C3 NUIG CALCULATION J.M !\Comment: WARNING 
C3H6+CH3<=>C3H5-S+CH4                             +7.19000000E+002 +2.93800000E+000 +1.39130000E+004 !\Author: SP !\Ref: KUN, CBS-QB3 03.2014 !\Comment: WARNING 
C3H5-S+CH2O<=>C3H6+HCO                            +1.65000000E+001 +3.17000000E+000 +9.39980000E+003 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325? 3346 !\Comment: WARNING 
C3H6+C2H3<=>C3H5-S+C2H4                           +9.40000000E+001 +3.13000000E+000 +8.30000000E+003 !\Author: SP !\Ref: RAMAN, CARSTENSEN, INT J CHEM KINET 44.5(2012) !\Comment: WARNING 
C3H6+C2H3<=>C3H5-T+C2H4                           +2.90000000E+002 +3.03000000E+000 +6.20000000E+003 !\Author: SP !\Ref: RAMAN, CARSTENSEN, INT J CHEM KINET 44.5(2012) !\Comment: WARNING 
C3H6+C2H3<=>C3H5-A+C2H4                           +5.40000000E+001 +3.34000000E+000 +3.00000000E+003 !\Author: SP !\Ref: RAMAN, CARSTENSEN, INT J CHEM KINET 44.5(2012) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONO
!___________________________________________________________________________________________________________ 
!C3H6+O=CH3CHCHO+H                                 +1.17000000E-003 +4.94000000E+000 -2.42280000E+003 !\Author: SP !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING
C3H6+O=CH3CHCHO+H            2.34E-3     4.94        -2422.8  
C3H6+O=CH3COCH2+H                                 +1.17000000E-003 +4.94000000E+000 -2.42280000E+003 !\Author: SP !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
C3H6+O=CH2CHO+CH3                                 +9.24000000E+008 +1.20000000E+000 -2.38300000E+002 !\Author: SP !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
C3H6+O=C2H5+HCO                                   +6.23000000E+009 +7.90000000E-001 -1.47000000E+002 !\Author: SP !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
C3H6+O=C2H4+CH2O                                  +1.46000000E+005 +2.36500000E+000 -8.32100000E+002 !\Author: SP !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONH
!___________________________________________________________________________________________________________ 
C3H6+H<=>NC3H7                                    1.53E+15       -0.63    4527.0!\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
  PLOG/1.000E-02    5.63E+38       -9.36    7964.0/                             ! fit btw. 298 and 1000 K with MAE of 5.3%, 11.9%
  PLOG/1.000E-01    3.08E+39       -9.12    9165.0/                             ! fit btw. 298 and 1100 K with MAE of 8.2%, 19.0%
  PLOG/1.000E+00    1.25E+35       -7.36    8988.0/                             ! fit btw. 298 and 1200 K with MAE of 12.7%, 29.8%
  PLOG/1.000E+01    1.38E+27       -4.60    7441.0/                             ! fit btw. 298 and 1300 K with MAE of 16.2%, 33.4%
  PLOG/1.000E+02    1.50E+20       -2.27    5817.0/                             ! fit btw. 298 and 1500 K with MAE of 16.7%, 38.1%
  PLOG/1.000E+03    1.53E+15       -0.63    4527.0/                             ! fit btw. 298 and 1800 K with MAE of 15.0%, 37.9%
!C3H6+H<=>C2H4+CH3                                   6.45E-05        5.48    4724.0!\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
!  PLOG/1.000E-02    5.02E+09        1.18    3272.0/                             ! fit btw. 298 and 2000 K with MAE of 1.0%, 3.4%
!  PLOG/1.000E-01    2.54E+11        0.71    4620.0/                             ! fit btw. 298 and 2000 K with MAE of 0.8%, 2.3%
!  PLOG/1.000E+00    1.29E+13        0.26    6544.0/                             ! fit btw. 298 and 2000 K with MAE of 3.7%, 16.1%
!  PLOG/1.000E+01    5.64E+11        0.72    7657.0/                             ! fit btw. 298 and 2000 K with MAE of 14.5%, 47.0%
!  PLOG/1.000E+02    3.33E+05        2.62    6963.0/                             ! fit btw. 298 and 2000 K with MAE of 27.1%, 72.5%
!  PLOG/1.000E+03    6.45E-05        5.48    4724.0/                             ! fit btw. 298 and 2000 K with MAE of 28.4%, 63.7%

C3H6+H<=>C2H4+CH3                                 +1.32000000E+023 -2.42000000E+000 +1.65000000E+004 !\Author: WARNING !\Ref: J.A.MILLER, S.J.KLIPPENSTEIN, J.PHYS.CHEM.A 117(2013) 2718-2727 !\Comment: WARNING 
PLOG /                           +1.30000000E-003 +1.54000000E+009 +1.35000000E+000 +2.54200000E+003 /
PLOG /                           +1.30000000E-003 +1.00000000E-010 +0.00000000E+000 +0.00000000E+000 /
PLOG /                           +4.00000000E-002 +7.88000000E+010 +8.70000000E-001 +3.59960000E+003 /
PLOG /                           +4.00000000E-002 +1.00000000E-010 +0.00000000E+000 +0.00000000E+000 /
PLOG /                           +1.00000000E+000 +2.67000000E+012 +4.70000000E-001 +5.43110000E+003 /
PLOG /                           +1.00000000E+000 +1.00000000E-010 +0.00000000E+000 +0.00000000E+000 /
PLOG /                           +1.00000000E+001 +9.25000000E+022 -2.60000000E+000 +1.28980000E+004 /
PLOG /                           +1.00000000E+001 +1.24000000E+005 +2.52000000E+000 +3.67910000E+003 /
PLOG /                           +1.00000000E+002 +1.32000000E+023 -2.42000000E+000 +1.65000000E+004 /
PLOG /                           +1.00000000E+002 +2.51000000E+003 +2.91000000E+000 +3.98090000E+003 /

C3H6+H<=>IC3H7                                    2.40E+12        0.38    2310.0!\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
  PLOG/1.000E-02    9.14E+38       -8.49    8655.0/                             ! fit btw. 298 and 1200 K with MAE of 14.2%, 33.2%
  PLOG/1.000E-01    1.56E+33       -6.46    7642.0/                             ! fit btw. 298 and 1300 K with MAE of 18.8%, 40.4%
  PLOG/1.000E+00    1.34E+28       -4.72    6634.0/                             ! fit btw. 298 and 1500 K with MAE of 23.0%, 50.9%
  PLOG/1.000E+01    1.15E+21       -2.41    4781.0/                             ! fit btw. 298 and 1600 K with MAE of 20.6%, 51.1%
  PLOG/1.000E+02    1.96E+17       -1.17    3815.0/                             ! fit btw. 298 and 1900 K with MAE of 19.7%, 54.0%
  PLOG/1.000E+03    2.40E+12        0.38    2310.0/                             ! fit btw. 298 and 2000 K with MAE of 10.6%, 32.0%
!NC3H7<=>IC3H7                                   3.91E+04        2.29    30800.0!\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
!  PLOG/1.000E-02    2.32E+31       -7.44    34320.0/                            ! fit btw. 298 and 1000 K with MAE of 10.5%, 21.1%
!  PLOG/1.000E-01    1.98E+26       -5.41    34270.0/                            ! fit btw. 298 and 1100 K with MAE of 20.5%, 50.1%
!  PLOG/1.000E+00    1.84E+20       -3.14    33760.0/                            ! fit btw. 298 and 1200 K with MAE of 30.6%, 83.7%
!  PLOG/1.000E+01    2.31E+12       -0.39    32290.0/                            ! fit btw. 298 and 1300 K with MAE of 36.9%, 98.7%
!  PLOG/1.000E+02    1.87E+07        1.36    31290.0/                            ! fit btw. 298 and 1500 K with MAE of 40.8%, 103.4%
!  PLOG/1.000E+03    3.91E+04        2.29    30800.0/                            ! fit btw. 298 and 1800 K with MAE of 40.7%, 103.0%
NC3H7<=>C2H4+CH3                                   7.80E+15       -0.67    32290.0!\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
  PLOG/1.000E-02    1.16E+41       -9.40    37220.0/                            ! fit btw. 298 and 1000 K with MAE of 7.0%, 16.6%
  PLOG/1.000E-01    3.97E+37       -8.02    37090.0/                            ! fit btw. 298 and 1100 K with MAE of 10.9%, 25.9%
  PLOG/1.000E+00    4.18E+31       -5.91    36070.0/                            ! fit btw. 298 and 1200 K with MAE of 14.5%, 33.1%
  PLOG/1.000E+01    3.25E+24       -3.52    34450.0/                            ! fit btw. 298 and 1300 K with MAE of 16.0%, 31.7%
  PLOG/1.000E+02    2.18E+19       -1.80    33190.0/                            ! fit btw. 298 and 1500 K with MAE of 15.3%, 34.5%
  PLOG/1.000E+03    7.80E+15       -0.67    32290.0/                            ! fit btw. 298 and 1800 K with MAE of 13.6%, 32.9%
!IC3H7<=>C2H4+CH3                                   1.24E-02        4.57    41110.0!\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
!  PLOG/1.000E-02    4.07E+34       -7.53    43810.0/                            ! fit btw. 298 and 1200 K with MAE of 15.4%, 38.5%
!  PLOG/1.000E-01    7.89E+32       -6.65    45320.0/                            ! fit btw. 298 and 1300 K with MAE of 19.4%, 49.9%
!  PLOG/1.000E+00    6.03E+29       -5.39    46530.0/                            ! fit btw. 298 and 1500 K with MAE of 28.2%, 79.0%
!  PLOG/1.000E+01    2.19E+20       -2.27    45570.0/                            ! fit btw. 298 and 1600 K with MAE of 37.7%, 107.3%
!  PLOG/1.000E+02    3.72E+11        0.49    44400.0/                            ! fit btw. 298 and 1900 K with MAE of 51.3%, 144.0%
!  PLOG/1.000E+03    1.24E-02        4.57    41110.0/                            ! fit btw. 298 and 2000 K with MAE of 46.7%, 117.5%
  
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONHO2
!___________________________________________________________________________________________________________ 
C3H6+HO2<=>C3H6O1-2+OH                            +1.30000000E+011 +5.44000000E-001 +1.90592000E+004 !\Author: SP !\Ref: GOLDSMITH ET AL., J. PHYS. CHEM. A 2012, 116, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.72000000E+004 +2.29000000E+000 +1.23361000E+004 /
PLOG /                           +1.00000000E-001 +1.09000000E+005 +2.18000000E+000 +1.25346000E+004 /
PLOG /                           +1.00000000E+000 +4.66000000E+007 +1.42000000E+000 +1.40662000E+004 /
PLOG /                           +1.00000000E+001 +1.93000000E+012 +1.07000000E-001 +1.73848000E+004 /
PLOG /                           +1.00000000E+002 +1.30000000E+011 +5.44000000E-001 +1.90592000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>RH+RH
!___________________________________________________________________________________________________________ 
C3H5-A+H<=>C3H4-A+H2                              +1.23200000E+003 +3.03500000E+000 +2.58200000E+003 !\Author: WARNING !\Ref: KLIPPENSTEIN & HARDING 2007 !\Comment: WARNING 
C3H5-A+OH<=>C3H4-A+H2O                            +6.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: TSANG, W. J.PHYS.CHEM.REF.DATA 1991, 20, 221. !\Comment: WARNING 
C3H5-A+CH3<=>C3H4-A+CH4                           +3.00000000E+012 -3.20000000E-001 -1.31000000E+002 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C3H5-A+C2H5<=>C3H4-A+C2H6                         +4.00000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: DAGAUT, P. ET AL., CST 71, 111(1990). !\Comment: WARNING 
C3H5-A+C2H3<=>C3H4-A+C2H4                         +1.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: DAGAUT, P. ET AL., CST 71, 111(1990). !\Comment: WARNING 
C3H4-A+C3H4-A<=>C3H5-A+C3H3                       +5.00000000E+014 +0.00000000E+000 +6.47467000E+004 !\Author: WARNING !\Ref: ZIEGLER ET AL. J. ANAL.APPLY.PYROLYSIS 73 212-230(2005) !\Comment: WARNING 
C3H5-S+CH3<=>C3H4-A+CH4                           +1.00000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: DAGAUT, P. ET AL., CST 71, 111(1990). !\Comment: WARNING 
C3H5-S+CH3<=>C3H4-P+CH4                           +1.00000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C3H5-T+H<=>C3H4-P+H2                              +3.34000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C3H5-T+CH3<=>C3H4-P+CH4                           +1.00000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C3H5-A+C3H5-A<=>C3H4-A+C3H6                       +1.46000000E+028 -5.50000000E+000 +7.41000000E+003 !\Author: WARNING !\Ref: FRIDLYAND ET AL. J. PHYS. CHEM. A, 2013, 117, 4762-4776 !\Comment: WARNING 
PLOG /                           +1.00000000E+000 +4.77000000E+040 -9.30000000E+000 +1.24700000E+004 /
PLOG /                           +4.00000000E+000 +3.97000000E+032 -6.80000000E+000 +9.18000000E+003 /
PLOG /                           +1.00000000E+001 +1.46000000E+028 -5.50000000E+000 +7.41000000E+003 /
C3H5-A+C2H5<=>C2H4+C3H6                           +4.00000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: DAGAUT, P. ET AL., CST 71, 111(1990). !\Comment: WARNING 
C3H5-A+HCO<=>C3H6+CO                              +6.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C3H5-S+HCO<=>C3H6+CO                              +9.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C3H5-S+O<=>C2H4+HCO                               +6.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C3H5-S+OH=>C2H4+HCO+H                             +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C3H5-S+HO2=>C2H4+HCO+OH                           +2.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C3H5-T+O<=>CH3+CH2CO                              +6.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C3H5-T+OH=>CH3+CH2CO+H                            +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C3H5-T+HO2=>CH3+CH2CO+OH                          +2.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C3H5-T+HCO<=>C3H6+CO                              +9.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C3H5-A+O<=>C2H3CHO+H                              +6.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: TSANG, W. J.PHYS.CHEM.REF.DATA 1991, 20, 221. !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+OH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C3H5-A+OH=>C2H3CHO+H+H                            +1.60000000E+020 -1.56000000E+000 +2.63300000E+004 !\Author: WARNING !\Ref: TSANG, W. J.PHYS.CHEM.REF.DATA 1991, 20, 221. !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +5.30000000E+037 -6.71000000E+000 +2.93060000E+004 /
PLOG /                           +1.00000000E+000 +4.20000000E+032 -5.16000000E+000 +3.01260000E+004 /
PLOG /                           +1.00000000E+001 +1.60000000E+020 -1.56000000E+000 +2.63300000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C3H5-A+O2<=>C3H4-A+HO2                            +2.18000000E+021 -2.85000000E+000 +3.07550000E+004 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
PLOG /                           +1.00000000E+000 +4.99000000E+015 -1.40000000E+000 +2.24280000E+004 /
PLOG /                           +1.00000000E+001 +2.18000000E+021 -2.85000000E+000 +3.07550000E+004 /
C3H5-A+O2<=>CH3CO+CH2O                            +7.14000000E+015 -1.21000000E+000 +2.10460000E+004 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
PLOG /                           +1.00000000E+000 +1.19000000E+015 -1.01000000E+000 +2.01280000E+004 /
PLOG /                           +1.00000000E+001 +7.14000000E+015 -1.21000000E+000 +2.10460000E+004 /
C3H5-A+O2<=>C2H3CHO+OH                            +2.47000000E+013 -4.50000000E-001 +2.30170000E+004 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
PLOG /                           +1.00000000E+000 +1.82000000E+013 -4.10000000E-001 +2.28590000E+004 /
PLOG /                           +1.00000000E+001 +2.47000000E+013 -4.50000000E-001 +2.30170000E+004 /
C3H5-S+O2<=>SC3H5OO                               +8.10000000E+029 -5.32000000E+000 +6.90900000E+003 !\Author: SP WARNING !\Ref: X. CHEN AND F. GOLDSMITH(2017) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.71000000E+026 -6.57000000E+000 +6.93700000E+003 /
PLOG /                           +1.00000000E-001 +2.51000000E+034 -8.40000000E+000 +4.82800000E+003 /
PLOG /                           +3.16000000E-001 +9.99000000E+037 -9.13000000E+000 +5.55300000E+003 /
PLOG /                           +1.00000000E+000 +1.28000000E+040 -9.39000000E+000 +6.83200000E+003 /
PLOG /                           +3.16000000E+000 +8.20000000E+039 -8.99000000E+000 +7.82900000E+003 /
PLOG /                           +1.00000000E+001 +4.15000000E+037 -8.01000000E+000 +8.14800000E+003 /
PLOG /                           +3.16000000E+001 +8.57000000E+033 -6.68000000E+000 +7.74400000E+003 /
PLOG /                           +1.00000000E+002 +8.10000000E+029 -5.32000000E+000 +6.90900000E+003 /
C3H5-S+O2<=>CH3CCHO+OH                            +5.11000000E+015 -1.02000000E+000 +1.09700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.60000000E+008 +8.20000000E-001 +2.14000000E+003 /
PLOG /                           +1.00000000E-001 +5.95000000E+008 +7.90000000E-001 +2.23100000E+003 /
PLOG /                           +3.16000000E-001 +1.09000000E+009 +7.20000000E-001 +2.44500000E+003 /
PLOG /                           +1.00000000E+000 +5.81000000E+009 +5.20000000E-001 +3.04600000E+003 /
PLOG /                           +3.16000000E+000 +1.94000000E+011 +1.00000000E-001 +4.36400000E+003 /
PLOG /                           +1.00000000E+001 +2.94000000E+013 -4.90000000E-001 +6.47700000E+003 /
PLOG /                           +3.16000000E+001 +2.27000000E+015 -9.80000000E-001 +8.91900000E+003 /
PLOG /                           +1.00000000E+002 +5.11000000E+015 -1.02000000E+000 +1.09700000E+004 /
C3H5-S+O2<=>CH3CHCHO+O                            +3.47000000E+013 -2.40000000E-001 +8.63900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.84000000E+009 +8.30000000E-001 +1.96300000E+003 /
PLOG /                           +1.00000000E-001 +2.34000000E+009 +8.10000000E-001 +2.04900000E+003 /
PLOG /                           +3.16000000E-001 +4.10000000E+009 +7.40000000E-001 +2.25000000E+003 /
PLOG /                           +1.00000000E+000 +1.91000000E+010 +5.50000000E-001 +2.80700000E+003 /
PLOG /                           +3.16000000E+000 +4.47000000E+011 +1.80000000E-001 +4.01400000E+003 /
PLOG /                           +1.00000000E+001 +2.99000000E+013 -3.10000000E-001 +5.86200000E+003 /
PLOG /                           +3.16000000E+001 +3.85000000E+014 -5.90000000E-001 +7.71300000E+003 /
PLOG /                           +1.00000000E+002 +3.47000000E+013 -2.40000000E-001 +8.63900000E+003 /
C3H5-S+O2<=>C3H4-P+HO2                            +2.77000000E+013 -5.50000000E-001 +1.26600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.44000000E+006 +1.21000000E+000 +4.63700000E+003 /
PLOG /                           +1.00000000E-001 +6.73000000E+006 +1.19000000E+000 +4.71200000E+003 /
PLOG /                           +3.16000000E-001 +1.08000000E+007 +1.13000000E+000 +4.88100000E+003 /
PLOG /                           +1.00000000E+000 +3.89000000E+007 +9.80000000E-001 +5.34200000E+003 /
PLOG /                           +3.16000000E+000 +6.41000000E+008 +6.40000000E-001 +6.39100000E+003 /
PLOG /                           +1.00000000E+001 +5.50000000E+010 +1.20000000E-001 +8.21800000E+003 /
PLOG /                           +3.16000000E+001 +4.85000000E+012 -3.90000000E-001 +1.05300000E+004 /
PLOG /                           +1.00000000E+002 +2.77000000E+013 -5.50000000E-001 +1.26600000E+004 /
C3H5-S+O2<=>CH3CHCO+OH                            +7.33000000E+006 +1.42000000E+000 +1.31000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.61000000E+001 +2.92000000E+000 +6.82200000E+003 /
PLOG /                           +1.00000000E-001 +1.81000000E+001 +2.91000000E+000 +6.86300000E+003 /
PLOG /                           +3.16000000E-001 +2.38000000E+001 +2.88000000E+000 +6.95900000E+003 /
PLOG /                           +1.00000000E+000 +5.27000000E+001 +2.78000000E+000 +7.23800000E+003 /
PLOG /                           +3.16000000E+000 +3.77000000E+002 +2.55000000E+000 +7.94800000E+003 /
PLOG /                           +1.00000000E+001 +1.46000000E+004 +2.11000000E+000 +9.35600000E+003 /
PLOG /                           +3.16000000E+001 +1.10000000E+006 +1.61000000E+000 +1.13300000E+004 /
PLOG /                           +1.00000000E+002 +7.33000000E+006 +1.42000000E+000 +1.31000000E+004 /
C3H5-S+O2<=>C2H3CHO+OH                            +8.16000000E+016 -1.34000000E+000 +7.00500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.51000000E+014 -8.50000000E-001 +1.31900000E+003 /
PLOG /                           +1.00000000E-001 +4.73000000E+014 -8.50000000E-001 +1.33700000E+003 /
PLOG /                           +3.16000000E-001 +6.20000000E+014 -8.90000000E-001 +1.43000000E+003 /
PLOG /                           +1.00000000E+000 +2.46000000E+015 -1.05000000E+000 +1.91200000E+003 /
PLOG /                           +3.16000000E+000 +7.29000000E+016 -1.46000000E+000 +3.19400000E+003 /
PLOG /                           +1.00000000E+001 +4.24000000E+018 -1.93000000E+000 +5.09400000E+003 /
PLOG /                           +3.16000000E+001 +1.18000000E+019 -2.01000000E+000 +6.66600000E+003 /
PLOG /                           +1.00000000E+002 +8.16000000E+016 -1.34000000E+000 +7.00500000E+003 /
C3H5-S+O2<=>CH2CHOCHO+H                           +6.81000000E+018 -1.93000000E+000 +8.29700000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.90000000E+015 -1.20000000E+000 +1.68000000E+003 /
PLOG /                           +1.00000000E-001 +5.11000000E+015 -1.20000000E+000 +1.69400000E+003 /
PLOG /                           +3.16000000E-001 +6.64000000E+015 -1.23000000E+000 +1.78300000E+003 /
PLOG /                           +1.00000000E+000 +2.67000000E+016 -1.40000000E+000 +2.26700000E+003 /
PLOG /                           +3.16000000E+000 +8.46000000E+017 -1.81000000E+000 +3.57300000E+003 /
PLOG /                           +1.00000000E+001 +5.18000000E+019 -2.29000000E+000 +5.51300000E+003 /
PLOG /                           +3.16000000E+001 +2.41000000E+020 -2.43000000E+000 +7.31600000E+003 /
PLOG /                           +1.00000000E+002 +6.81000000E+018 -1.93000000E+000 +8.29700000E+003 /
C3H5-S+O2<=>CH3COCHO+H                            +4.68000000E+012 -6.40000000E-001 +7.36400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.83000000E+008 +3.60000000E-001 +2.59000000E+002 /
PLOG /                           +1.00000000E-001 +4.18000000E+008 +3.50000000E-001 +2.91300000E+002 /
PLOG /                           +3.16000000E-001 +5.81000000E+008 +3.10000000E-001 +4.09800000E+002 /
PLOG /                           +1.00000000E+000 +2.39000000E+009 +1.40000000E-001 +9.14800000E+002 /
PLOG /                           +3.16000000E+000 +7.40000000E+010 -2.70000000E-001 +2.22000000E+003 /
PLOG /                           +1.00000000E+001 +5.24000000E+012 -7.70000000E-001 +4.17500000E+003 /
PLOG /                           +3.16000000E+001 +5.09000000E+013 -1.00000000E+000 +6.12700000E+003 /
PLOG /                           +1.00000000E+002 +4.68000000E+012 -6.40000000E-001 +7.36400000E+003 /
C3H5-S+O2<=>CH3+CHOCHO                            +7.49000000E+015 -1.17000000E+000 +7.57600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.82000000E+012 -3.00000000E-001 +7.45200000E+002 /
PLOG /                           +1.00000000E-001 +1.93000000E+012 -3.10000000E-001 +7.66700000E+002 /
PLOG /                           +3.16000000E-001 +2.56000000E+012 -3.50000000E-001 +8.66800000E+002 /
PLOG /                           +1.00000000E+000 +1.03000000E+013 -5.10000000E-001 +1.35700000E+003 /
PLOG /                           +3.16000000E+000 +3.15000000E+014 -9.20000000E-001 +2.65500000E+003 /
PLOG /                           +1.00000000E+001 +2.28000000E+016 -1.42000000E+000 +4.62800000E+003 /
PLOG /                           +3.16000000E+001 +1.43000000E+017 -1.59000000E+000 +6.48000000E+003 /
PLOG /                           +1.00000000E+002 +7.49000000E+015 -1.17000000E+000 +7.57600000E+003 /
C3H5-S+O2<=>CH2O+CH3CO                            +1.11000000E+016 -1.48000000E+000 +6.90600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.00000000E+014 -1.31000000E+000 +1.70900000E+003 /
PLOG /                           +1.00000000E-001 +8.24000000E+014 -1.31000000E+000 +1.71800000E+003 /
PLOG /                           +3.16000000E-001 +1.05000000E+015 -1.34000000E+000 +1.79700000E+003 /
PLOG /                           +1.00000000E+000 +4.18000000E+015 -1.51000000E+000 +2.27400000E+003 /
PLOG /                           +3.16000000E+000 +2.30000000E+018 -2.27000000E+000 +4.42900000E+003 /
PLOG /                           +1.00000000E+001 +3.06000000E+017 -2.00000000E+000 +4.52800000E+003 /
PLOG /                           +3.16000000E+001 +4.91000000E+018 -2.29000000E+000 +6.70900000E+003 /
PLOG /                           +1.00000000E+002 +1.11000000E+016 -1.48000000E+000 +6.90600000E+003 /
C3H5-S+O2<=>CH3CHO+HCO                            +1.32000000E+021 -2.49000000E+000 +8.43900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.03000000E+018 -1.90000000E+000 +2.18700000E+003 /
PLOG /                           +1.00000000E-001 +3.05000000E+018 -1.90000000E+000 +2.18600000E+003 /
PLOG /                           +3.16000000E-001 +3.73000000E+018 -1.93000000E+000 +2.24600000E+003 /
PLOG /                           +1.00000000E+000 +1.50000000E+019 -2.10000000E+000 +2.71200000E+003 /
PLOG /                           +3.16000000E+000 +5.19000000E+020 -2.52000000E+000 +4.03200000E+003 /
PLOG /                           +1.00000000E+001 +1.49000000E+022 -2.90000000E+000 +5.75200000E+003 /
PLOG /                           +3.16000000E+001 +1.56000000E+023 -3.14000000E+000 +7.82400000E+003 /
PLOG /                           +1.00000000E+002 +1.32000000E+021 -2.49000000E+000 +8.43900000E+003 /
C3H5-S+O2<=>CO2+C2H5                              +9.18000000E+018 -2.39000000E+000 +8.50800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.66000000E+016 -1.77000000E+000 +2.16000000E+003 /
PLOG /                           +1.00000000E-001 +1.69000000E+016 -1.77000000E+000 +2.16400000E+003 /
PLOG /                           +3.16000000E-001 +2.12000000E+016 -1.80000000E+000 +2.23600000E+003 /
PLOG /                           +1.00000000E+000 +8.51000000E+016 -1.97000000E+000 +2.70900000E+003 /
PLOG /                           +3.16000000E+000 +2.85000000E+018 -2.39000000E+000 +4.02500000E+003 /
PLOG /                           +1.00000000E+001 +1.20000000E+020 -2.81000000E+000 +5.85800000E+003 /
PLOG /                           +3.16000000E+001 +6.93000000E+020 -2.98000000E+000 +7.74800000E+003 /
PLOG /                           +1.00000000E+002 +9.18000000E+018 -2.39000000E+000 +8.50800000E+003 /
C3H5-S+O2<=>CH2OH+CH2CO                           +6.81000000E+007 +6.30000000E-001 +3.59000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +9.08000000E+009 -1.30000000E-001 +6.34000000E+002 /
PLOG /                           +1.00000000E-001 +9.69000000E+009 -1.30000000E-001 +6.58400000E+002 /
PLOG /                           +3.16000000E-001 +1.31000000E+010 -1.70000000E-001 +7.65800000E+002 /
PLOG /                           +1.00000000E+000 +5.31000000E+010 -3.40000000E-001 +1.26100000E+003 /
PLOG /                           +3.16000000E+000 +3.72000000E+012 -8.50000000E-001 +2.82000000E+003 /
PLOG /                           +1.00000000E+001 +3.19000000E+007 +6.00000000E-001 -2.62000000E+001 /
PLOG /                           +3.16000000E+001 +3.09000000E+011 -4.70000000E-001 +4.10600000E+003 /
PLOG /                           +1.00000000E+002 +6.81000000E+007 +6.30000000E-001 +3.59000000E+003 /
C3H5-T+O2<=>TC3H5OO                               +3.41000000E+039 -8.04000000E+000 +1.43600000E+004 !\Author: WARNING !\Ref: GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.55000000E+024 -5.45000000E+000 +9.66200000E+003 /
PLOG /                           +1.00000000E-002 +1.78000000E-009 +4.15000000E+000 -4.70700000E+003 /
PLOG /                           +1.00000000E-001 +3.48000000E+056 -1.50100000E+001 +1.91600000E+004 /
PLOG /                           +1.00000000E-001 +2.36000000E+022 -4.52000000E+000 +2.83900000E+003 /
PLOG /                           +3.16000000E-001 +1.25000000E+064 -1.69700000E+001 +2.12900000E+004 /
PLOG /                           +3.16000000E-001 +2.00000000E+026 -5.43000000E+000 +2.72500000E+003 /
PLOG /                           +1.00000000E+000 +3.34000000E+061 -1.57900000E+001 +2.01500000E+004 /
PLOG /                           +1.00000000E+000 +6.13000000E+028 -5.89000000E+000 +3.15400000E+003 /
PLOG /                           +3.16000000E+000 +7.34000000E+053 -1.31100000E+001 +1.73000000E+004 /
PLOG /                           +3.16000000E+000 +2.14000000E+029 -5.80000000E+000 +3.52000000E+003 /
PLOG /                           +1.00000000E+001 +4.16000000E+048 -1.12100000E+001 +1.60000000E+004 /
PLOG /                           +1.00000000E+001 +3.48000000E+028 -5.37000000E+000 +3.63600000E+003 /
PLOG /                           +3.16000000E+001 +2.33000000E+043 -9.38000000E+000 +1.48100000E+004 /
PLOG /                           +3.16000000E+001 +3.32000000E+027 -4.95000000E+000 +3.61000000E+003 /
PLOG /                           +1.00000000E+002 +3.41000000E+039 -8.04000000E+000 +1.43600000E+004 /
PLOG /                           +1.00000000E+002 +1.03000000E+027 -4.72000000E+000 +3.68000000E+003 /
C3H5-T+O2<=>CH3COCH2+O                            +9.27000000E+025 -3.80000000E+000 +1.39100000E+004 !\Author: UB !\Ref: GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +7.16000000E+020 -2.67000000E+000 +6.74200000E+003 /
PLOG /                           +1.00000000E-002 +1.24000000E+010 +6.20000000E-001 -2.77600000E+002 /
PLOG /                           +1.00000000E-001 +7.02000000E+020 -2.67000000E+000 +6.71300000E+003 /
PLOG /                           +1.00000000E-001 +1.29000000E+010 +6.20000000E-001 -2.47700000E+002 /
PLOG /                           +3.16000000E-001 +8.97000000E+020 -2.70000000E+000 +6.72400000E+003 /
PLOG /                           +3.16000000E-001 +1.51000000E+010 +6.00000000E-001 -1.62500000E+002 /
PLOG /                           +1.00000000E+000 +6.45000000E+020 -2.65000000E+000 +6.48900000E+003 /
PLOG /                           +1.00000000E+000 +1.84000000E+010 +5.80000000E-001 +3.84000000E+001 /
PLOG /                           +3.16000000E+000 +4.09000000E+020 -2.53000000E+000 +6.40600000E+003 /
PLOG /                           +3.16000000E+000 +8.86000000E+009 +6.70000000E-001 +2.48000000E+002 /
PLOG /                           +1.00000000E+001 +1.60000000E+023 -3.22000000E+000 +8.69700000E+003 /
PLOG /                           +1.00000000E+001 +6.67000000E+009 +7.20000000E-001 +7.78100000E+002 /
PLOG /                           +3.16000000E+001 +2.85000000E+025 -3.77000000E+000 +1.15300000E+004 /
PLOG /                           +3.16000000E+001 +1.43000000E+009 +9.20000000E-001 +1.21900000E+003 /
PLOG /                           +1.00000000E+002 +9.27000000E+025 -3.80000000E+000 +1.39100000E+004 /
PLOG /                           +1.00000000E+002 +7.14000000E+007 +1.28000000E+000 +1.40100000E+003 /
C3H5-T+O2<=>C3H4-A+HO2                            +1.83000000E+008 +1.11000000E+000 +1.02400000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.48000000E+007 +1.28000000E+000 +4.73200000E+003 /
PLOG /                           +1.00000000E-001 +1.05000000E+007 +1.33000000E+000 +4.92900000E+003 /
PLOG /                           +3.16000000E-001 +4.15000000E+006 +1.45000000E+000 +4.91600000E+003 /
PLOG /                           +1.00000000E+000 +2.55000000E+006 +1.53000000E+000 +5.13900000E+003 /
PLOG /                           +3.16000000E+000 +6.14000000E+006 +1.43000000E+000 +5.93100000E+003 /
PLOG /                           +1.00000000E+001 +4.39000000E+007 +1.22000000E+000 +7.30500000E+003 /
PLOG /                           +3.16000000E+001 +3.59000000E+008 +9.90000000E-001 +8.99700000E+003 /
PLOG /                           +1.00000000E+002 +1.83000000E+008 +1.11000000E+000 +1.02400000E+004 /
C3H5-T+O2<=>C3H4-P+HO2                            +4.23000000E+012 -8.00000000E-002 +1.20100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.22000000E+005 +1.70000000E+000 +3.39900000E+003 /
PLOG /                           +1.00000000E-001 +1.07000000E+006 +1.63000000E+000 +3.58700000E+003 /
PLOG /                           +3.16000000E-001 +3.19000000E+006 +1.50000000E+000 +3.96900000E+003 /
PLOG /                           +1.00000000E+000 +3.80000000E+007 +1.20000000E+000 +4.85400000E+003 /
PLOG /                           +3.16000000E+000 +2.52000000E+009 +7.00000000E-001 +6.44300000E+003 /
PLOG /                           +1.00000000E+001 +3.53000000E+011 +1.20000000E-001 +8.58000000E+003 /
PLOG /                           +3.16000000E+001 +1.02000000E+013 -2.50000000E-001 +1.06800000E+004 /
PLOG /                           +1.00000000E+002 +4.23000000E+012 -8.00000000E-002 +1.20100000E+004 /
C3H5-T+O2<=>CH3COCHO+H                            +3.28000000E+031 -5.76000000E+000 +1.62500000E+004 !\Author: WARNING !\Ref: GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.79000000E+014 -1.03000000E+000 +9.12000000E+002 /
PLOG /                           +1.00000000E-002 +2.80000000E-004 +4.04000000E+000 -7.01900000E+003 /
PLOG /                           +1.00000000E-001 +5.03000000E+014 -1.04000000E+000 +9.22500000E+002 /
PLOG /                           +1.00000000E-001 +3.45000000E-004 +4.01000000E+000 -6.97800000E+003 /
PLOG /                           +3.16000000E-001 +6.43000000E+014 -1.07000000E+000 +9.82900000E+002 /
PLOG /                           +3.16000000E-001 +9.73000000E-004 +3.89000000E+000 -6.76800000E+003 /
PLOG /                           +1.00000000E+000 +3.73000000E+015 -1.29000000E+000 +1.44100000E+003 /
PLOG /                           +1.00000000E+000 +4.98000000E-001 +3.15000000E+000 -5.49600000E+003 /
PLOG /                           +3.16000000E+000 +2.44000000E+018 -2.13000000E+000 +3.23400000E+003 /
PLOG /                           +3.16000000E+000 +1.34000000E+005 +1.67000000E+000 -2.93100000E+003 /
PLOG /                           +1.00000000E+001 +1.30000000E+015 -1.09000000E+000 +2.39300000E+003 /
PLOG /                           +1.00000000E+001 +4.50000000E+015 -3.08000000E+000 -4.83600000E+003 /
PLOG /                           +3.16000000E+001 +3.57000000E+033 -6.50000000E+000 +1.49100000E+004 /
PLOG /                           +3.16000000E+001 +3.84000000E+010 +2.20000000E-001 +9.41300000E+002 /
PLOG /                           +1.00000000E+002 +3.28000000E+031 -5.76000000E+000 +1.62500000E+004 /
PLOG /                           +1.00000000E+002 +2.75000000E+008 +8.30000000E-001 +8.57600000E+002 /
C3H5-T+O2<=>CH2O+CH3CO                            +3.03000000E+033 -6.28000000E+000 +1.60000000E+004 !\Author: UB !\Ref: GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.77000000E+036 -7.60000000E+000 +1.26400000E+004 /
PLOG /                           +1.00000000E-002 +5.04000000E+015 -1.28000000E+000 +5.15300000E+002 /
PLOG /                           +1.00000000E-001 +2.70000000E+036 -7.60000000E+000 +1.26100000E+004 /
PLOG /                           +1.00000000E-001 +5.10000000E+015 -1.28000000E+000 +5.13000000E+002 /
PLOG /                           +3.16000000E-001 +2.17000000E+036 -7.57000000E+000 +1.24900000E+004 /
PLOG /                           +3.16000000E-001 +5.34000000E+015 -1.29000000E+000 +5.20600000E+002 /
PLOG /                           +1.00000000E+000 +3.03000000E+035 -7.32000000E+000 +1.18200000E+004 /
PLOG /                           +1.00000000E+000 +6.76000000E+015 -1.31000000E+000 +6.45700000E+002 /
PLOG /                           +3.16000000E+000 +1.59000000E+036 -7.47000000E+000 +1.24600000E+004 /
PLOG /                           +3.16000000E+000 +1.05000000E+016 -1.36000000E+000 +1.06600000E+003 /
PLOG /                           +1.00000000E+001 +5.76000000E+035 -7.20000000E+000 +1.34300000E+004 /
PLOG /                           +1.00000000E+001 +2.84000000E+015 -1.18000000E+000 +1.42900000E+003 /
PLOG /                           +3.16000000E+001 +3.54000000E+020 -2.57000000E+000 +5.57800000E+003 /
PLOG /                           +3.16000000E+001 +1.14000000E+069 -1.92300000E+001 +1.47600000E+004 /
PLOG /                           +1.00000000E+002 +3.03000000E+033 -6.28000000E+000 +1.60000000E+004 /
PLOG /                           +1.00000000E+002 +4.68000000E+010 +1.90000000E-001 +8.30600000E+002 /
C3H5-T+O2=>CH2O+CH3+CO                            +7.07000000E+033 -6.28000000E+000 +1.60000000E+004 !\Author: UB !\Ref: GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.47000000E+036 -7.60000000E+000 +1.26400000E+004 /
PLOG /                           +1.00000000E-002 +1.18000000E+016 -1.28000000E+000 +5.15300000E+002 /
PLOG /                           +1.00000000E-001 +6.29000000E+036 -7.60000000E+000 +1.26100000E+004 /
PLOG /                           +1.00000000E-001 +1.19000000E+016 -1.28000000E+000 +5.13000000E+002 /
PLOG /                           +3.16000000E-001 +5.06000000E+036 -7.57000000E+000 +1.24900000E+004 /
PLOG /                           +3.16000000E-001 +1.26000000E+016 -1.29000000E+000 +5.20600000E+002 /
PLOG /                           +1.00000000E+000 +7.07000000E+035 -7.32000000E+000 +1.18200000E+004 /
PLOG /                           +1.00000000E+000 +1.58000000E+016 -1.31000000E+000 +6.45700000E+002 /
PLOG /                           +3.16000000E+000 +3.72000000E+036 -7.47000000E+000 +1.24600000E+004 /
PLOG /                           +3.16000000E+000 +2.44000000E+016 -1.36000000E+000 +1.06600000E+003 /
PLOG /                           +1.00000000E+001 +1.34000000E+036 -7.20000000E+000 +1.34300000E+004 /
PLOG /                           +1.00000000E+001 +6.64000000E+015 -1.18000000E+000 +1.42900000E+003 /
PLOG /                           +3.16000000E+001 +8.26000000E+020 -2.57000000E+000 +5.57800000E+003 /
PLOG /                           +3.16000000E+001 +2.66000000E+069 -1.92300000E+001 +1.47600000E+004 /
PLOG /                           +1.00000000E+002 +7.07000000E+033 -6.28000000E+000 +1.60000000E+004 /
PLOG /                           +1.00000000E+002 +1.09000000E+011 +1.90000000E-001 +8.30600000E+002 /
C3H5-T+O2<=>C2H5+CO2                              +1.21000000E+032 -6.32000000E+000 +1.61900000E+004 !\Author: WARNING !\Ref: GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.37000000E+035 -7.76000000E+000 +1.26300000E+004 /
PLOG /                           +1.00000000E-002 +6.27000000E+013 -1.16000000E+000 +4.06300000E+002 /
PLOG /                           +1.00000000E-001 +1.73000000E+035 -7.72000000E+000 +1.25200000E+004 /
PLOG /                           +1.00000000E-001 +6.24000000E+013 -1.16000000E+000 +4.01400000E+002 /
PLOG /                           +3.16000000E-001 +4.47000000E+034 -7.55000000E+000 +1.21400000E+004 /
PLOG /                           +3.16000000E-001 +6.12000000E+013 -1.16000000E+000 +3.97000000E+002 /
PLOG /                           +1.00000000E+000 +7.25000000E+031 -6.70000000E+000 +1.04400000E+004 /
PLOG /                           +1.00000000E+000 +5.32000000E+013 -1.14000000E+000 +4.46700000E+002 /
PLOG /                           +3.16000000E+000 +3.63000000E+035 -7.75000000E+000 +1.28300000E+004 /
PLOG /                           +3.16000000E+000 +1.45000000E+014 -1.26000000E+000 +9.87700000E+002 /
PLOG /                           +1.00000000E+001 +2.09000000E+035 -7.53000000E+000 +1.40500000E+004 /
PLOG /                           +1.00000000E+001 +5.02000000E+013 -1.11000000E+000 +1.40900000E+003 /
PLOG /                           +3.16000000E+001 +3.84000000E+018 -2.44000000E+000 +5.40800000E+003 /
PLOG /                           +3.16000000E+001 +1.40000000E+070 -2.01100000E+001 +1.54300000E+004 /
PLOG /                           +1.00000000E+002 +1.21000000E+032 -6.32000000E+000 +1.61900000E+004 /
PLOG /                           +1.00000000E+002 +9.21000000E+008 +2.50000000E-001 +8.55300000E+002 /
TC3H5OO<=>CH3COCH2+O                              +4.30000000E+048 -1.03100000E+001 +5.60900000E+004 !\Author: SP !\Ref: ANALOGY TO C2H3OO<=>CH2CHO+O !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.70000000E+180 -4.81900000E+001 +1.69300000E+005 /
PLOG /                           +1.00000000E-002 +1.47000000E+030 -6.64000000E+000 +4.11100000E+004 /
PLOG /                           +1.00000000E-001 +3.90000000E+038 -8.69000000E+000 +4.27700000E+004 /
PLOG /                           +1.00000000E-001 +9.65000000E-012 +5.96000000E+000 +2.28900000E+004 /
PLOG /                           +3.16000000E-001 +4.57000000E+047 -1.12100000E+001 +4.70500000E+004 /
PLOG /                           +3.16000000E-001 +3.95000000E+022 -3.71000000E+000 +3.62700000E+004 /
PLOG /                           +1.00000000E+000 +7.62000000E+081 -2.12800000E+001 +6.50800000E+004 /
PLOG /                           +1.00000000E+000 +2.39000000E+033 -6.62000000E+000 +4.12800000E+004 /
PLOG /                           +3.16000000E+000 +1.86000000E+068 -1.68300000E+001 +6.06800000E+004 /
PLOG /                           +3.16000000E+000 +6.37000000E+031 -5.96000000E+000 +4.12600000E+004 /
PLOG /                           +1.00000000E+001 +2.02000000E+055 -1.26900000E+001 +5.58400000E+004 /
PLOG /                           +1.00000000E+001 +2.13000000E+029 -5.10000000E+000 +4.07100000E+004 /
PLOG /                           +3.16000000E+001 +1.11000000E+053 -1.17900000E+001 +5.66900000E+004 /
PLOG /                           +3.16000000E+001 +4.66000000E+027 -4.50000000E+000 +4.05300000E+004 /
PLOG /                           +1.00000000E+002 +4.30000000E+048 -1.03100000E+001 +5.60900000E+004 /
PLOG /                           +1.00000000E+002 +5.99000000E+025 -3.85000000E+000 +4.01200000E+004 /
TC3H5OO<=>C2H5+CO2                                +7.01000000E+037 -8.06000000E+000 +4.22000000E+004 !\Author: SP !\Ref: ANALOGY TO C2H3OO<=>CO2+CH3 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +1.21000000E+118 -3.31300000E+001 +7.37900000E+004 /
PLOG /                           +1.00000000E-001 +1.96000000E+029 -6.29000000E+000 +3.09200000E+004 /
PLOG /                           +3.16000000E-001 +8.56000000E+032 -7.21000000E+000 +3.35500000E+004 /
PLOG /                           +3.16000000E-001 +5.10000000E-066 +2.13700000E+001 -1.11100000E+004 /
PLOG /                           +1.00000000E+000 +3.27000000E+033 -7.22000000E+000 +3.49900000E+004 /
PLOG /                           +1.00000000E+000 +1.76000000E-047 +1.58500000E+001 -5.28300000E+003 /
PLOG /                           +1.00000000E+001 +8.16000000E+032 -6.76000000E+000 +3.72700000E+004 /
PLOG /                           +1.00000000E+001 +4.62000000E+000 +2.10000000E+000 +1.71700000E+004 /
PLOG /                           +3.16000000E+001 +7.01000000E+037 -8.06000000E+000 +4.22000000E+004 /
PLOG /                           +3.16000000E+001 +3.49000000E+014 -1.58000000E+000 +2.64700000E+004 /
TC3H5OO<=>CH3COCHO+H                              +1.30000000E+032 -5.92000000E+000 +4.06600000E+004 !\Author: SP !\Ref: ANALOGY TO C2H3OO<=>CHOCHO+O !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.41000000E+080 -2.22000000E+001 +5.17500000E+004 /
PLOG /                           +1.00000000E-002 +1.19000000E+028 -6.01000000E+000 +2.87400000E+004 /
PLOG /                           +1.00000000E-001 +3.31000000E+065 -1.70100000E+001 +4.80900000E+004 /
PLOG /                           +1.00000000E-001 +1.40000000E+025 -4.80000000E+000 +2.89400000E+004 /
PLOG /                           +3.16000000E-001 +5.98000000E+051 -1.26200000E+001 +4.30000000E+004 /
PLOG /                           +3.16000000E-001 +2.91000000E+020 -3.29000000E+000 +2.75500000E+004 /
PLOG /                           +1.00000000E+000 +1.48000000E+044 -1.01200000E+001 +4.07900000E+004 /
PLOG /                           +1.00000000E+000 +1.58000000E+019 -2.82000000E+000 +2.76200000E+004 /
PLOG /                           +3.16000000E+000 +1.26000000E+059 -1.43300000E+001 +5.13900000E+004 /
PLOG /                           +3.16000000E+000 +1.93000000E+022 -3.54000000E+000 +2.99800000E+004 /
PLOG /                           +1.00000000E+001 +4.93000000E+026 -4.67000000E+000 +3.43200000E+004 /
PLOG /                           +1.00000000E+001 +7.51000000E+029 -5.75000000E+000 +3.44900000E+004 /
PLOG /                           +3.16000000E+001 +2.06000000E+033 -6.38000000E+000 +3.95200000E+004 /
PLOG /                           +3.16000000E+001 +7.14000000E+061 -1.61600000E+001 +4.32800000E+004 /
PLOG /                           +1.00000000E+002 +1.30000000E+032 -5.92000000E+000 +4.06600000E+004 /
PLOG /                           +1.00000000E+002 +1.14000000E+019 -2.56000000E+000 +2.96700000E+004 /
TC3H5OO<=>CH2O+CH3CO                              +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 !\Author: SP !\Ref: ANALOGY TO C2H3OO<=>CH2O+HCO !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.66000000E+174 -5.55200000E+001 +6.03200000E+004 /
PLOG /                           +1.00000000E-002 +2.27000000E+035 -7.97000000E+000 +3.12800000E+004 /
PLOG /                           +1.00000000E-001 +9.03000000E+066 -1.72500000E+001 +4.81200000E+004 /
PLOG /                           +1.00000000E-001 +2.08000000E+026 -4.96000000E+000 +2.87800000E+004 /
PLOG /                           +3.16000000E-001 +1.82000000E+043 -9.87000000E+000 +3.79600000E+004 /
PLOG /                           +3.16000000E-001 +1.45000000E+020 -3.08000000E+000 +2.66300000E+004 /
PLOG /                           +1.00000000E+000 +8.64000000E+033 -6.88000000E+000 +3.43700000E+004 /
PLOG /                           +1.00000000E+000 +1.06000000E+130 -3.93800000E+001 +5.47000000E+004 /
PLOG /                           +3.16000000E+000 +7.29000000E+171 -4.35300000E+001 +1.91900000E+005 /
PLOG /                           +3.16000000E+000 +2.35000000E+034 -6.87000000E+000 +3.57000000E+004 /
PLOG /                           +1.00000000E+001 +1.03000000E+032 -6.06000000E+000 +3.55000000E+004 /
PLOG /                           +1.00000000E+001 +2.18000000E+175 -5.37800000E+001 +6.85000000E+004 /
PLOG /                           +3.16000000E+001 +1.85000000E+034 -6.57000000E+000 +3.85100000E+004 /
PLOG /                           +3.16000000E+001 +1.07000000E+185 -5.42200000E+001 +8.89900000E+004 /
PLOG /                           +1.00000000E+002 +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+002 +4.68000000E+002 +1.81000000E+000 +1.81000000E+004 /
TC3H5OO=>CH2O+CH3+CO                              +1.33000000E+030 -5.19000000E+000 +3.68000000E+004 !\Author: SP !\Ref: C2H3OO=>CH2O+H+CO GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.88000000E+174 -5.55200000E+001 +6.03200000E+004 /
PLOG /                           +1.00000000E-002 +5.29000000E+035 -7.97000000E+000 +3.12800000E+004 /
PLOG /                           +1.00000000E-001 +2.11000000E+067 -1.72500000E+001 +4.81200000E+004 /
PLOG /                           +1.00000000E-001 +4.85000000E+026 -4.96000000E+000 +2.87800000E+004 /
PLOG /                           +3.16000000E-001 +4.26000000E+043 -9.87000000E+000 +3.79600000E+004 /
PLOG /                           +3.16000000E-001 +3.37000000E+020 -3.08000000E+000 +2.66300000E+004 /
PLOG /                           +1.00000000E+000 +2.02000000E+034 -6.88000000E+000 +3.43700000E+004 /
PLOG /                           +1.00000000E+000 +2.46000000E+130 -3.93800000E+001 +5.47000000E+004 /
PLOG /                           +3.16000000E+000 +1.70000000E+172 -4.35300000E+001 +1.91900000E+005 /
PLOG /                           +3.16000000E+000 +5.49000000E+034 -6.87000000E+000 +3.57000000E+004 /
PLOG /                           +1.00000000E+001 +2.40000000E+032 -6.06000000E+000 +3.55000000E+004 /
PLOG /                           +1.00000000E+001 +5.09000000E+175 -5.37800000E+001 +6.85000000E+004 /
PLOG /                           +3.16000000E+001 +4.32000000E+034 -6.57000000E+000 +3.85100000E+004 /
PLOG /                           +3.16000000E+001 +2.49000000E+185 -5.42200000E+001 +8.89900000E+004 /
PLOG /                           +1.00000000E+002 +1.33000000E+030 -5.19000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+002 +1.09000000E+003 +1.81000000E+000 +1.81000000E+004 /
SC3H5OO<=>CH3CHCHO+O                              +4.30000000E+048 -1.03100000E+001 +5.60900000E+004 !\Author: SP !\Ref: ANALOGY TO C2H3OO<=>CH2CHO+O !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.70000000E+180 -4.81900000E+001 +1.69300000E+005 /
PLOG /                           +1.00000000E-002 +1.47000000E+030 -6.64000000E+000 +4.11100000E+004 /
PLOG /                           +1.00000000E-001 +3.90000000E+038 -8.69000000E+000 +4.27700000E+004 /
PLOG /                           +1.00000000E-001 +9.65000000E-012 +5.96000000E+000 +2.28900000E+004 /
PLOG /                           +3.16000000E-001 +4.57000000E+047 -1.12100000E+001 +4.70500000E+004 /
PLOG /                           +3.16000000E-001 +3.95000000E+022 -3.71000000E+000 +3.62700000E+004 /
PLOG /                           +1.00000000E+000 +7.62000000E+081 -2.12800000E+001 +6.50800000E+004 /
PLOG /                           +1.00000000E+000 +2.39000000E+033 -6.62000000E+000 +4.12800000E+004 /
PLOG /                           +3.16000000E+000 +1.86000000E+068 -1.68300000E+001 +6.06800000E+004 /
PLOG /                           +3.16000000E+000 +6.37000000E+031 -5.96000000E+000 +4.12600000E+004 /
PLOG /                           +1.00000000E+001 +2.02000000E+055 -1.26900000E+001 +5.58400000E+004 /
PLOG /                           +1.00000000E+001 +2.13000000E+029 -5.10000000E+000 +4.07100000E+004 /
PLOG /                           +3.16000000E+001 +1.11000000E+053 -1.17900000E+001 +5.66900000E+004 /
PLOG /                           +3.16000000E+001 +4.66000000E+027 -4.50000000E+000 +4.05300000E+004 /
PLOG /                           +1.00000000E+002 +4.30000000E+048 -1.03100000E+001 +5.60900000E+004 /
PLOG /                           +1.00000000E+002 +5.99000000E+025 -3.85000000E+000 +4.01200000E+004 /
SC3H5OO<=>CH3COCHO+H                              +1.30000000E+032 -5.92000000E+000 +4.06600000E+004 !\Author: SP !\Ref: ANALOGY TO C2H3OO<=>CHOCHO+O !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.41000000E+080 -2.22000000E+001 +5.17500000E+004 /
PLOG /                           +1.00000000E-002 +1.19000000E+028 -6.01000000E+000 +2.87400000E+004 /
PLOG /                           +1.00000000E-001 +3.31000000E+065 -1.70100000E+001 +4.80900000E+004 /
PLOG /                           +1.00000000E-001 +1.40000000E+025 -4.80000000E+000 +2.89400000E+004 /
PLOG /                           +3.16000000E-001 +5.98000000E+051 -1.26200000E+001 +4.30000000E+004 /
PLOG /                           +3.16000000E-001 +2.91000000E+020 -3.29000000E+000 +2.75500000E+004 /
PLOG /                           +1.00000000E+000 +1.48000000E+044 -1.01200000E+001 +4.07900000E+004 /
PLOG /                           +1.00000000E+000 +1.58000000E+019 -2.82000000E+000 +2.76200000E+004 /
PLOG /                           +3.16000000E+000 +1.26000000E+059 -1.43300000E+001 +5.13900000E+004 /
PLOG /                           +3.16000000E+000 +1.93000000E+022 -3.54000000E+000 +2.99800000E+004 /
PLOG /                           +1.00000000E+001 +4.93000000E+026 -4.67000000E+000 +3.43200000E+004 /
PLOG /                           +1.00000000E+001 +7.51000000E+029 -5.75000000E+000 +3.44900000E+004 /
PLOG /                           +3.16000000E+001 +2.06000000E+033 -6.38000000E+000 +3.95200000E+004 /
PLOG /                           +3.16000000E+001 +7.14000000E+061 -1.61600000E+001 +4.32800000E+004 /
PLOG /                           +1.00000000E+002 +1.30000000E+032 -5.92000000E+000 +4.06600000E+004 /
PLOG /                           +1.00000000E+002 +1.14000000E+019 -2.56000000E+000 +2.96700000E+004 /
SC3H5OO<=>CH2O+CH3CO                              +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 !\Author: SP !\Ref: ANALOGY TO C2H3OO<=>CH2O+HCO !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.66000000E+174 -5.55200000E+001 +6.03200000E+004 /
PLOG /                           +1.00000000E-002 +2.27000000E+035 -7.97000000E+000 +3.12800000E+004 /
PLOG /                           +1.00000000E-001 +9.03000000E+066 -1.72500000E+001 +4.81200000E+004 /
PLOG /                           +1.00000000E-001 +2.08000000E+026 -4.96000000E+000 +2.87800000E+004 /
PLOG /                           +3.16000000E-001 +1.82000000E+043 -9.87000000E+000 +3.79600000E+004 /
PLOG /                           +3.16000000E-001 +1.45000000E+020 -3.08000000E+000 +2.66300000E+004 /
PLOG /                           +1.00000000E+000 +8.64000000E+033 -6.88000000E+000 +3.43700000E+004 /
PLOG /                           +1.00000000E+000 +1.06000000E+130 -3.93800000E+001 +5.47000000E+004 /
PLOG /                           +3.16000000E+000 +7.29000000E+171 -4.35300000E+001 +1.91900000E+005 /
PLOG /                           +3.16000000E+000 +2.35000000E+034 -6.87000000E+000 +3.57000000E+004 /
PLOG /                           +1.00000000E+001 +1.03000000E+032 -6.06000000E+000 +3.55000000E+004 /
PLOG /                           +1.00000000E+001 +2.18000000E+175 -5.37800000E+001 +6.85000000E+004 /
PLOG /                           +3.16000000E+001 +1.85000000E+034 -6.57000000E+000 +3.85100000E+004 /
PLOG /                           +3.16000000E+001 +1.07000000E+185 -5.42200000E+001 +8.89900000E+004 /
PLOG /                           +1.00000000E+002 +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+002 +4.68000000E+002 +1.81000000E+000 +1.81000000E+004 /
SC3H5OO=>CH2O+CH3+CO                              +1.33000000E+030 -5.19000000E+000 +3.68000000E+004 !\Author: SP !\Ref: C2H3OO=>CH2O+H+CO GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.88000000E+174 -5.55200000E+001 +6.03200000E+004 /
PLOG /                           +1.00000000E-002 +5.29000000E+035 -7.97000000E+000 +3.12800000E+004 /
PLOG /                           +1.00000000E-001 +2.11000000E+067 -1.72500000E+001 +4.81200000E+004 /
PLOG /                           +1.00000000E-001 +4.85000000E+026 -4.96000000E+000 +2.87800000E+004 /
PLOG /                           +3.16000000E-001 +4.26000000E+043 -9.87000000E+000 +3.79600000E+004 /
PLOG /                           +3.16000000E-001 +3.37000000E+020 -3.08000000E+000 +2.66300000E+004 /
PLOG /                           +1.00000000E+000 +2.02000000E+034 -6.88000000E+000 +3.43700000E+004 /
PLOG /                           +1.00000000E+000 +2.46000000E+130 -3.93800000E+001 +5.47000000E+004 /
PLOG /                           +3.16000000E+000 +1.70000000E+172 -4.35300000E+001 +1.91900000E+005 /
PLOG /                           +3.16000000E+000 +5.49000000E+034 -6.87000000E+000 +3.57000000E+004 /
PLOG /                           +1.00000000E+001 +2.40000000E+032 -6.06000000E+000 +3.55000000E+004 /
PLOG /                           +1.00000000E+001 +5.09000000E+175 -5.37800000E+001 +6.85000000E+004 /
PLOG /                           +3.16000000E+001 +4.32000000E+034 -6.57000000E+000 +3.85100000E+004 /
PLOG /                           +3.16000000E+001 +2.49000000E+185 -5.42200000E+001 +8.89900000E+004 /
PLOG /                           +1.00000000E+002 +1.33000000E+030 -5.19000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+002 +1.09000000E+003 +1.81000000E+000 +1.81000000E+004 /
CH3CCHO+OH=>CH2CCO+H2O+H                          +1.58000000E+007 +1.80000000E+000 +9.34000000E+002 !\Author: NITIN !\Ref: ANOLOGY TO PROPANE !\Comment: WARNING 
CH3CCHO+HO2=>CH2CCO+H2O2+H                        +4.82000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: NITIN !\Ref: CURRAN ESTIMATE TSANG '88 PRIMARY H !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
CH2CCO<=>C2H2+CO                                  +8.69000000E+017 -1.81000000E+000 +1.36567000E+004 !\Author: NITIN !\Ref: WARNING !\Comment: ISOMERISATION PATHWAY OF CH3OCO<=>CH2OCHO NO LONGER INCLUDED AS IN DAMES MECHANISM 
PLOG /                           +5.00000000E-002 +9.72000000E+012 -1.31000000E+000 +9.41670000E+003 /
PLOG /                           +1.00000000E+000 +1.25000000E+016 -1.83000000E+000 +1.13408000E+004 /
PLOG /                           +1.00000000E+001 +1.04000000E+018 -2.10000000E+000 +1.28269000E+004 /
PLOG /                           +1.00000000E+002 +8.69000000E+017 -1.81000000E+000 +1.36567000E+004 /
CH2COCH2<=>C2H2+CH2O                              +6.00000000E+014 +0.00000000E+000 +6.00000000E+004 !\Author: NITIN !\Ref: WARNING !\Comment: WARNING 
CH2COCH2+OH=>CH2O+C2H+H2O                         +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: NITIN !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
CH2COCH2+H=>CH2O+C2H+H2                           +2.63000000E+007 +2.00000000E+000 +5.00000000E+003 !\Author: NITIN !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
CH2COCH2+O=>CH2O+C2H+OH                           +8.43000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: NITIN !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
CH2COCH2+HO2=>CH2O+C2H+H2O2                       +1.00000000E+013 +0.00000000E+000 +1.50000000E+004 !\Author: NITIN !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
CH3COCH+O2=CH3COCHO+O                             +1.30000000E+006 +2.42020000E+000 +1.60400000E+003 !\Author: SP !\Ref: ANALOGY TO CHCHO+O2<=>CHOCHO+O !\Comment: WARNING 
CH3COCH+O2=>CO2+H+CH3CO                           +2.10000000E+009 +9.92900000E-001 -2.69000000E+002 !\Author: SP !\Ref: ANALOGY TO CHCHO+O2<=>CO2+H+HCO GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
CH3COCH+OH=>CH2CCO+H2O+H                          +1.58000000E+007 +1.80000000E+000 +9.34000000E+002 !\Author: SP !\Ref: ANOLOGY TO PROPANE !\Comment: WARNING 
CH3COCH+HO2=>CH2CCO+H2O2+H                        +4.82000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: SP !\Ref: CURRAN ESTIMATE TSANG '88 PRIMARY H !\Comment: WARNING 
CH2CHOCHO+O2<=>CH2CHOCO+HO2                       +1.00000000E+013 +0.00000000E+000 +4.97000000E+004 !\Author: NL_WARNING !\Ref: ESTIMATE !\Comment: WARNING 
CH2CHOCHO+OH<=>CH2CHOCO+H2O                       +1.58000000E+007 +1.80000000E+000 +9.34000000E+002 !\Author: NL_WARNING !\Ref: ANOLOGY TO PROPANE !\Comment: WARNING 
CH2CHOCHO+HO2<=>CH2CHOCO+H2O2                     +4.82000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: NL_WARNING !\Ref: CURRAN ESTIMATE TSANG '88 PRIMARY H !\Comment: WARNING 
CH2CHOCHO+O<=>CH2CHOCO+OH                         +2.75500000E+005 +2.45000000E+000 +2.83000000E+003 !\Author: NL_WARNING !\Ref: TSANG, W. J. PHYS. CHEM. REF. DATA 17, 887(1988) !\Comment: WARNING 
CH2CHOCHO+H<=>CH2CHOCO+H2                         +6.50000000E+005 +2.40000000E+000 +4.47100000E+003 !\Author: NL_WARNING !\Ref: TSANG, W. J. PHYS. CHEM. REF. DATA 17, 887(1988) !\Comment: WARNING 
CH2CHOCHO+CH3<=>CH2CHOCO+CH4                      +7.55000000E-001 +3.46000000E+000 +5.48100000E+003 !\Author: NL_WARNING !\Ref: TSANG, W. J. PHYS. CHEM. REF. DATA 17, 887(1988) !\Comment: WARNING 
CH2CHOCHO+CH3O<=>CH2CHOCO+CH3OH                   +5.48000000E+011 +0.00000000E+000 +5.00000000E+003 !\Author: NL_WARNING !\Ref: ESTIMATE !\Comment: WARNING 
CH2CHOCHO+CH3O2<=>CH2CHOCO+CH3O2H                 +4.82000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: NL_WARNING !\Ref: ANOLOGY WITH HO2 !\Comment: WARNING 
CH2CHOCHO+HCO<=>CH2CHOCO+CH2O                     +5.40000000E+006 +1.90000000E+000 +1.70100000E+004 !\Author: NL_WARNING !\Ref: TSANG, W. J. PHYS. CHEM. REF. DATA 17, 887(1988) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
CH2CHOCO<=>C2H3+CO2                               +8.69000000E+017 -1.81000000E+000 +1.36567000E+004 !\Author: NL_WARNING !\Ref: WARNING !\Comment: ISOMERISATION PATHWAY OF CH3OCO<=>CH2OCHO NO LONGER INCLUDED AS IN DAMES MECHANISM 
PLOG /                           +5.00000000E-002 +9.72000000E+012 -1.31000000E+000 +9.41670000E+003 /
PLOG /                           +1.00000000E+000 +1.25000000E+016 -1.83000000E+000 +1.13408000E+004 /
PLOG /                           +1.00000000E+001 +1.04000000E+018 -2.10000000E+000 +1.28269000E+004 /
PLOG /                           +1.00000000E+002 +8.69000000E+017 -1.81000000E+000 +1.36567000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+HO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C3H5-A+HO2<=>C3H5O+OH                             +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
C3H5-A+HO2<=>AC3H5OOH                             +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.91000000E+031 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +6.31000000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +1.03000000E+045 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +2.79000000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 /
C3H5-A+HO2<=>C2H3CHO+H2O                          +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.09000000E+000 +3.01000000E+000 -3.42110000E+003 /
PLOG /                           +1.00000000E-001 +6.35000000E+001 +2.50000000E+000 -2.34140000E+003 /
PLOG /                           +1.00000000E+000 +6.05000000E+005 +1.39000000E+000 +5.95100000E+002 /
PLOG /                           +1.00000000E+001 +3.10000000E+005 +1.59000000E+000 +2.67760000E+003 /
PLOG /                           +1.00000000E+002 +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 /
AC3H5OOH<=>C2H3CHO+H2O                            +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.99000000E+050 -1.27000000E+001 +5.35319000E+004 /
PLOG /                           +1.00000000E-001 +4.72000000E+047 -1.15000000E+001 +5.43609000E+004 /
PLOG /                           +1.00000000E+000 +1.50000000E+040 -8.84000000E+000 +5.31792000E+004 /
PLOG /                           +1.00000000E+001 +2.54000000E+028 -5.00000000E+000 +4.99194000E+004 /
PLOG /                           +1.00000000E+002 +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 /
AC3H5OOH<=>C3H5O+OH                               +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: DECOMP BELONGS TO THE ALLYL+HO2 MECHANISM. 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C3H5-SOOH<=>CH3CHCHO+OH                           +1.28000000E+027 -3.61000000E+000 +2.02131000E+004 !\Author: SP !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +2.81469000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +2.80738000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +2.63485000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +2.33090000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +2.02131000E+004 /
IC3H5Q<=>CH3COCH2+OH                              +1.28000000E+027 -3.61000000E+000 +2.30331000E+004 !\Author: SP !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +3.09669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +3.08938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +2.91685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +2.61290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +2.30331000E+004 /
C3H5O<=>C2H3+CH2O                                 +8.52000000E+025 -3.61000000E+000 +2.78634000E+004 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +7.26000000E+006 +1.82000000E-001 +1.78155000E+004 /
PLOG /                           +1.00000000E-002 +6.97000000E+016 -2.50000000E+000 +2.08787000E+004 /
PLOG /                           +1.00000000E-001 +6.64000000E+023 -4.23000000E+000 +2.35650000E+004 /
PLOG /                           +1.00000000E+000 +1.07000000E+026 -4.56000000E+000 +2.46229000E+004 /
PLOG /                           +1.00000000E+001 +6.50000000E+029 -5.37000000E+000 +2.66450000E+004 /
PLOG /                           +1.00000000E+002 +4.63000000E+031 -5.59000000E+000 +2.89153000E+004 /
PLOG /                           +1.00000000E+003 +8.52000000E+025 -3.61000000E+000 +2.78634000E+004 /
C3H5O<=>CH2CHOCH2                                 +1.35000000E+018 -1.73000000E+000 +1.73865000E+004 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +3.17000000E+020 -4.15000000E+000 +1.21213000E+004 /
PLOG /                           +1.00000000E-002 +4.79000000E+024 -5.03000000E+000 +1.46061000E+004 /
PLOG /                           +1.00000000E-001 +1.90000000E+026 -5.16000000E+000 +1.61244000E+004 /
PLOG /                           +1.00000000E+000 +1.51000000E+028 -5.40000000E+000 +1.81654000E+004 /
PLOG /                           +1.00000000E+001 +2.42000000E+028 -5.17000000E+000 +1.96912000E+004 /
PLOG /                           +1.00000000E+002 +5.57000000E+024 -3.86000000E+000 +1.93952000E+004 /
PLOG /                           +1.00000000E+003 +1.35000000E+018 -1.73000000E+000 +1.73865000E+004 /
C3H5O<=>CH2CH2CHO                                 +1.67000000E+021 -2.74000000E+000 +2.03377000E+004 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +5.25000000E-049 +1.55000000E+001 -1.56399000E+004 /
PLOG /                           +1.00000000E-002 +1.46000000E-088 +2.76000000E+001 -3.59950000E+004 /
PLOG /                           +1.00000000E-001 +4.44000000E-022 +8.38000000E+000 -3.81900000E+003 /
PLOG /                           +1.00000000E+000 +6.23000000E+012 -1.44000000E+000 +1.08292000E+004 /
PLOG /                           +1.00000000E+001 +3.48000000E+042 -9.91000000E+000 +2.52979000E+004 /
PLOG /                           +1.00000000E+002 +1.88000000E+038 -8.16000000E+000 +2.59745000E+004 /
PLOG /                           +1.00000000E+003 +1.67000000E+021 -2.74000000E+000 +2.03377000E+004 /
C3H5O<=>C2H3CHO+H                                 +2.57000000E+020 -2.06000000E+000 +2.20401000E+004 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +3.00000000E+015 -2.31000000E+000 +1.46679000E+004 /
PLOG /                           +1.00000000E-002 +1.50000000E+022 -3.96000000E+000 +1.82830000E+004 /
PLOG /                           +1.00000000E-001 +1.95000000E+023 -3.99000000E+000 +1.91433000E+004 /
PLOG /                           +1.00000000E+000 +1.15000000E+025 -4.24000000E+000 +2.03112000E+004 /
PLOG /                           +1.00000000E+001 +1.76000000E+028 -4.89000000E+000 +2.27652000E+004 /
PLOG /                           +1.00000000E+002 +1.41000000E+027 -4.28000000E+000 +2.37706000E+004 /
PLOG /                           +1.00000000E+003 +2.57000000E+020 -2.06000000E+000 +2.20401000E+004 /
C3H5O<=>C2H4+HCO                                  +4.75000000E+008 +1.14000000E+000 +2.09225000E+004 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +6.62000000E+016 -2.84000000E+000 +1.31970000E+004 /
PLOG /                           +1.00000000E-002 +1.26000000E+020 -3.53000000E+000 +1.54692000E+004 /
PLOG /                           +1.00000000E-001 +2.13000000E+021 -3.64000000E+000 +1.65845000E+004 /
PLOG /                           +1.00000000E+000 +1.07000000E+024 -4.16000000E+000 +1.89850000E+004 /
PLOG /                           +1.00000000E+001 +8.42000000E+025 -4.40000000E+000 +2.23826000E+004 /
PLOG /                           +1.00000000E+002 +1.86000000E+021 -2.73000000E+000 +2.36588000E+004 /
PLOG /                           +1.00000000E+003 +4.75000000E+008 +1.14000000E+000 +2.09225000E+004 /
CH2CHOCH2<=>C2H3+CH2O                             +8.81000000E+014 -3.26000000E-001 +3.15531000E+004 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +3.30000000E+009 -6.38000000E-001 +1.97478000E+004 /
PLOG /                           +1.00000000E-002 +3.36000000E+021 -3.90000000E+000 +2.39452000E+004 /
PLOG /                           +1.00000000E-001 +2.91000000E+029 -5.90000000E+000 +2.72497000E+004 /
PLOG /                           +1.00000000E+000 +1.83000000E+034 -6.94000000E+000 +3.06904000E+004 /
PLOG /                           +1.00000000E+001 +9.72000000E+033 -6.50000000E+000 +3.30025000E+004 /
PLOG /                           +1.00000000E+002 +2.68000000E+027 -4.26000000E+000 +3.33056000E+004 /
PLOG /                           +1.00000000E+003 +8.81000000E+014 -3.26000000E-001 +3.15531000E+004 /
CH2CHOCH2<=>CH2CH2CHO                             +2.51000000E+020 -2.63000000E+000 +2.92884000E+004 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +8.01000000E-092 +2.78000000E+001 -3.73212000E+004 /
PLOG /                           +1.00000000E-002 +7.78000000E-011 +3.70000000E+000 -2.76690000E+003 /
PLOG /                           +1.00000000E-001 +5.11000000E+015 -2.76000000E+000 +1.59376000E+004 /
PLOG /                           +1.00000000E+000 +4.48000000E+025 -5.20000000E+000 +2.15322000E+004 /
PLOG /                           +1.00000000E+001 +3.97000000E+034 -7.41000000E+000 +2.81169000E+004 /
PLOG /                           +1.00000000E+002 +5.62000000E+022 -3.56000000E+000 +2.58067000E+004 /
PLOG /                           +1.00000000E+003 +2.51000000E+020 -2.63000000E+000 +2.92884000E+004 /
CH2CHOCH2<=>C2H3CHO+H                             +3.98000000E+018 -1.62000000E+000 +3.01298000E+004 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +4.93000000E+024 -5.05000000E+000 +2.01084000E+004 /
PLOG /                           +1.00000000E-002 +2.14000000E+028 -5.80000000E+000 +2.22194000E+004 /
PLOG /                           +1.00000000E-001 +1.93000000E+032 -6.64000000E+000 +2.51082000E+004 /
PLOG /                           +1.00000000E+000 +8.60000000E+034 -7.11000000E+000 +2.82091000E+004 /
PLOG /                           +1.00000000E+001 +2.17000000E+034 -6.64000000E+000 +3.06476000E+004 /
PLOG /                           +1.00000000E+002 +4.17000000E+028 -4.71000000E+000 +3.12319000E+004 /
PLOG /                           +1.00000000E+003 +3.98000000E+018 -1.62000000E+000 +3.01298000E+004 /
CH2CHOCH2<=>C2H4+HCO                              +3.73000000E+014 -7.26000000E-001 +3.20083000E+004 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +8.23000000E+026 -5.84000000E+000 +1.93569000E+004 /
PLOG /                           +1.00000000E-002 +1.32000000E+029 -6.21000000E+000 +2.12936000E+004 /
PLOG /                           +1.00000000E-001 +3.47000000E+032 -6.96000000E+000 +2.41973000E+004 /
PLOG /                           +1.00000000E+000 +1.44000000E+036 -7.76000000E+000 +2.80078000E+004 /
PLOG /                           +1.00000000E+001 +9.72000000E+037 -8.02000000E+000 +3.23946000E+004 /
PLOG /                           +1.00000000E+002 +2.43000000E+031 -5.81000000E+000 +3.42958000E+004 /
PLOG /                           +1.00000000E+003 +3.73000000E+014 -7.26000000E-001 +3.20083000E+004 /
CH2CH2CHO<=>C2H3+CH2O                             +1.93000000E+019 -1.94000000E+000 +4.84400000E+004 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +6.89000000E-069 +2.15000000E+001 +2.63800000E+003 /
PLOG /                           +1.00000000E-002 +5.34000000E-033 +1.11000000E+001 +1.67491000E+004 /
PLOG /                           +1.00000000E-001 +6.11000000E+026 -6.01000000E+000 +4.41167000E+004 /
PLOG /                           +1.00000000E+000 +8.04000000E+035 -8.31000000E+000 +4.69197000E+004 /
PLOG /                           +1.00000000E+001 +5.52000000E+040 -9.19000000E+000 +5.05087000E+004 /
PLOG /                           +1.00000000E+002 +5.85000000E+035 -7.18000000E+000 +5.20384000E+004 /
PLOG /                           +1.00000000E+003 +1.93000000E+019 -1.94000000E+000 +4.84400000E+004 /
CH2CH2CHO<=>C2H3CHO+H                             +4.52000000E+012 +2.14000000E-001 +3.45705000E+004 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.61000000E+010 -1.24000000E+000 +3.23713000E+004 /
PLOG /                           +1.00000000E-002 +5.84000000E+015 -2.61000000E+000 +3.28784000E+004 /
PLOG /                           +1.00000000E-001 +3.64000000E+023 -4.60000000E+000 +3.42753000E+004 /
PLOG /                           +1.00000000E+000 +7.58000000E+031 -6.63000000E+000 +3.78954000E+004 /
PLOG /                           +1.00000000E+001 +2.86000000E+032 -6.30000000E+000 +3.99907000E+004 /
PLOG /                           +1.00000000E+002 +1.57000000E+023 -3.14000000E+000 +3.80117000E+004 /
PLOG /                           +1.00000000E+003 +4.52000000E+012 +2.14000000E-001 +3.45705000E+004 /
CH2CH2CHO<=>C2H4+HCO                              +1.59000000E+013 +6.30000000E-002 +2.40863000E+004 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +2.90000000E+032 -7.24000000E+000 +2.56875000E+004 /
PLOG /                           +1.00000000E-002 +5.30000000E+033 -7.28000000E+000 +2.71006000E+004 /
PLOG /                           +1.00000000E-001 +2.00000000E+035 -7.41000000E+000 +2.90273000E+004 /
PLOG /                           +1.00000000E+000 +1.01000000E+034 -6.70000000E+000 +3.00181000E+004 /
PLOG /                           +1.00000000E+001 +9.76000000E+027 -4.63000000E+000 +2.89239000E+004 /
PLOG /                           +1.00000000E+002 +2.11000000E+019 -1.85000000E+000 +2.62398000E+004 /
PLOG /                           +1.00000000E+003 +1.59000000E+013 +6.30000000E-002 +2.40863000E+004 /
C2H3+CH2O<=>C2H3CHO+H                             +6.01000000E+005 +2.09000000E+000 +7.89560000E+003 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +2.60000000E+004 +2.26000000E+000 +1.51030000E+003 /
PLOG /                           +1.00000000E-002 +5.13000000E+004 +2.17000000E+000 +1.67550000E+003 /
PLOG /                           +1.00000000E-001 +3.99000000E+005 +1.91000000E+000 +2.21830000E+003 /
PLOG /                           +1.00000000E+000 +1.75000000E+007 +1.45000000E+000 +3.42800000E+003 /
PLOG /                           +1.00000000E+001 +1.35000000E+009 +9.33000000E-001 +5.17300000E+003 /
PLOG /                           +1.00000000E+002 +2.24000000E+011 +3.57000000E-001 +8.00130000E+003 /
PLOG /                           +1.00000000E+003 +6.01000000E+005 +2.09000000E+000 +7.89560000E+003 /
C2H3+CH2O<=>C2H4+HCO                              +1.65000000E+001 +3.17000000E+000 +9.39980000E+003 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.11000000E+007 +1.09000000E+000 +1.80720000E+003 /
PLOG /                           +1.00000000E-002 +2.47000000E+007 +9.93000000E-001 +1.99490000E+003 /
PLOG /                           +1.00000000E-001 +2.47000000E+008 +7.04000000E-001 +2.59620000E+003 /
PLOG /                           +1.00000000E+000 +1.42000000E+010 +2.09000000E-001 +3.93420000E+003 /
PLOG /                           +1.00000000E+001 +3.45000000E+013 -7.26000000E-001 +6.94430000E+003 /
PLOG /                           +1.00000000E+002 +3.31000000E+014 -8.66000000E-001 +1.09657000E+004 /
PLOG /                           +1.00000000E+003 +1.65000000E+001 +3.17000000E+000 +9.39980000E+003 /
CH3CHCHO=CH2CH2CHO                                +1.11000000E+020 -2.19000000E+000 +4.27800000E+004 !\Author: SP !\Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 \COMMENT !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +1.23000000E+065 -1.80100000E+001 +5.15000000E+004 /
PLOG /                           +9.86900000E-004 +9.43000000E+016 -3.28000000E+000 +3.19500000E+004 /
PLOG /                           +9.86900000E-003 +2.43000000E+027 -5.88000000E+000 +3.81100000E+004 /
PLOG /                           +9.86900000E-003 +5.64000000E+002 -7.68000000E+000 -2.36700000E+003 /
PLOG /                           +9.86900000E-002 +3.53000000E+021 -3.61000000E+000 +3.78800000E+004 /
PLOG /                           +9.86900000E-002 +3.42000000E-001 -8.98000000E+000 -1.12400000E+004 /
PLOG /                           +9.86900000E-001 +1.44000000E+012 -5.30000000E-001 +3.52900000E+004 /
PLOG /                           +9.86900000E-001 +1.44000000E+012 -5.30000000E-001 +3.52900000E+004 /
PLOG /                           +9.86900000E+000 +1.36000000E+034 -6.67000000E+000 +4.74100000E+004 /
PLOG /                           +9.86900000E+000 +1.68000000E+001 +2.48000000E+000 +2.98800000E+004 /
PLOG /                           +9.86900000E+001 +1.11000000E+020 -2.19000000E+000 +4.27800000E+004 /
PLOG /                           +9.86900000E+001 +6.70000000E-008 +5.27000000E+000 +2.78200000E+004 /
CH3CHCHO=CH2CHCHOH                                     1.92E-06    4.920   22300 !\AUTHOR: SP !\REF:  ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35 (2015) 181-188 \COMMENT !\COMMENT: WARNING
PLOG /  9.87E-04  1.12E+43  -10.330   41010 /
PLOG /  9.87E-04  1.09E-10    4.950   15900 /
PLOG /  9.87E-03  3.13E-10    4.870   16270 /
PLOG /  9.87E-03  9.34E+40   -9.390   41980 /
!DONG 1027 CONVERGE REFIT!PLOG /  9.87E-02 -1.11E+14   -1.820   24810 /
!DONG 1027 CONVERGE REFIT!PLOG /  9.87E-02  6.50E+00    2.570   21470 /
PLOG /  9.87E-02  1.34E-06    4.607	  20000.2 / ! fit btw. 500 and 2000 K with MAE of 70%, 30%
PLOG /  9.87E-02  2.66E+04	 -3.600	  21000.0 /
!DONG 1027 CONVERGE REFIR!PLOG /  9.87E-01 -3.42E+08    0.030   23400 /
!DONG 1027 CONVERGE REFIR!PLOG /  9.87E-01  6.36E-03    3.590   20710 /
PLOG /  9.87E-01  1.22E+03    2.067	  25000.17 / ! fit btw. 500 and 2000 K with MAE of 70%, 30%
PLOG /  9.87E-01  2.87E+04	 -3.500	  21100.00 /
PLOG /  9.87E+00  5.94E+23   -3.690   38040 /
PLOG /  9.87E+00  8.77E-15    6.500   15570 /
PLOG /  9.87E+01  3.51E+16   -1.470   35170 /
PLOG /  9.87E+01  6.25E-17    7.200   14980 /
CH3CHCHO=C2H5+CO                                  +1.70000000E+028 -4.59000000E+000 +5.16000000E+004 !\Author: SP !\Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 \COMMENT !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +1.19000000E+024 -4.69000000E+000 +4.16100000E+004 /
PLOG /                           +9.86900000E-004 +0.00000000E+000 +0.00000000E+000 +0.00000000E+000 /
PLOG /                           +9.86900000E-003 +2.15000000E+048 -1.16000000E+001 +5.44700000E+004 /
PLOG /                           +9.86900000E-003 +9.02000000E+017 -3.22000000E+000 +3.81400000E+004 /
PLOG /                           +9.86900000E-002 +4.35000000E+047 -1.10600000E+001 +5.58400000E+004 /
PLOG /                           +9.86900000E-002 +1.23000000E+017 -2.75000000E+000 +3.85500000E+004 /
PLOG /                           +9.86900000E-001 +7.95000000E+043 -9.64000000E+000 +5.60400000E+004 /
PLOG /                           +9.86900000E-001 +9.89000000E+013 -1.61000000E+000 +3.81800000E+004 /
PLOG /                           +9.86900000E+000 +5.14000000E+023 -3.52000000E+000 +4.68700000E+004 /
PLOG /                           +9.86900000E+000 +9.51000000E+000 -7.24000000E+000 +1.18400000E+003 /
PLOG /                           +9.86900000E+001 +1.70000000E+028 -4.59000000E+000 +5.16000000E+004 /
PLOG /                           +9.86900000E+001 +3.95000000E+005 +1.31000000E+000 +3.65900000E+004 /
CH3CHCHO=C2H4+HCO                                 +1.08000000E+046 -9.23000000E+000 +6.70300000E+004 !\Author: SP !\Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 \COMMENT !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +4.29000000E+053 -1.31600000E+001 +5.31300000E+004 /
PLOG /                           +9.86900000E-004 +3.11000000E+035 -8.14000000E+000 +4.25000000E+004 /
PLOG /                           +9.86900000E-003 +3.44000000E+053 -1.28200000E+001 +5.48200000E+004 /
PLOG /                           +9.86900000E-003 +1.21000000E+036 -8.06000000E+000 +4.40500000E+004 /
PLOG /                           +9.86900000E-002 +1.18000000E+053 -1.23700000E+001 +5.68800000E+004 /
PLOG /                           +9.86900000E-002 +2.69000000E+032 -6.63000000E+000 +4.47600000E+004 /
PLOG /                           +9.86900000E-001 +6.35000000E+049 -1.10600000E+001 +5.83300000E+004 /
PLOG /                           +9.86900000E-001 +2.18000000E+029 -5.57000000E+000 +4.53100000E+004 /
PLOG /                           +9.86900000E+000 +1.25000000E+047 -9.92000000E+000 +6.12600000E+004 /
PLOG /                           +9.86900000E+000 +5.08000000E+021 -3.11000000E+000 +4.45400000E+004 /
PLOG /                           +9.86900000E+001 +1.08000000E+046 -9.23000000E+000 +6.70300000E+004 /
PLOG /                           +9.86900000E+001 +8.62000000E+010 +3.40000000E-001 +4.29100000E+004 /
CH3CHCHO<=>C2H3CHO+H                              +2.82000000E+042 -8.17000000E+000 +6.07200000E+004 !\Author: SP !\Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +1.84000000E+057 -1.41200000E+001 +5.67800000E+004 /
PLOG /                           +9.86900000E-004 +4.76000000E+041 -9.85000000E+000 +4.73900000E+004 /
PLOG /                           +9.86900000E-003 +3.14000000E+055 -1.32400000E+001 +5.74600000E+004 /
PLOG /                           +9.86900000E-003 +3.72000000E+039 -8.95000000E+000 +4.73000000E+004 /
PLOG /                           +9.86900000E-002 +3.54000000E+055 -1.29300000E+001 +5.93400000E+004 /
PLOG /                           +9.86900000E-002 +1.45000000E+032 -6.32000000E+000 +4.60300000E+004 /
PLOG /                           +9.86900000E-001 +6.49000000E+051 -1.14700000E+001 +5.99600000E+004 /
PLOG /                           +9.86900000E-001 +3.03000000E+028 -5.01000000E+000 +4.54000000E+004 /
PLOG /                           +9.86900000E+000 +4.14000000E+047 -9.93000000E+000 +6.06400000E+004 /
PLOG /                           +9.86900000E+000 +5.82000000E+024 -3.71000000E+000 +4.47400000E+004 /
PLOG /                           +9.86900000E+001 +2.82000000E+042 -8.17000000E+000 +6.07200000E+004 /
PLOG /                           +9.86900000E+001 +4.19000000E+019 -1.96000000E+000 +4.36300000E+004 /
CH3CHCHO=CH3CHCO+H                                +1.31000000E+045 -9.08000000E+000 +6.70800000E+004 !\Author: SP !\Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +1.14000000E+054 -1.37400000E+001 +6.12300000E+004 /
PLOG /                           +9.86900000E-004 +9.50000000E+040 -1.01800000E+001 +5.29900000E+004 /
PLOG /                           +9.86900000E-003 +9.85000000E+055 -1.38200000E+001 +6.30400000E+004 /
PLOG /                           +9.86900000E-003 +1.00000000E+042 -1.00700000E+001 +5.38800000E+004 /
PLOG /                           +9.86900000E-002 +1.15000000E+058 -1.40300000E+001 +6.53700000E+004 /
PLOG /                           +9.86900000E-002 +7.92000000E+035 -7.68000000E+000 +5.31800000E+004 /
PLOG /                           +9.86900000E-001 +3.42000000E+055 -1.28500000E+001 +6.63700000E+004 /
PLOG /                           +9.86900000E-001 +1.10000000E+032 -6.22000000E+000 +5.27300000E+004 /
PLOG /                           +9.86900000E+000 +1.87000000E+050 -1.08900000E+001 +6.66800000E+004 /
PLOG /                           +9.86900000E+000 +3.68000000E+029 -5.31000000E+000 +5.24300000E+004 /
PLOG /                           +9.86900000E+001 +1.31000000E+045 -9.08000000E+000 +6.70800000E+004 /
PLOG /                           +9.86900000E+001 +4.87000000E+023 -3.29000000E+000 +5.12300000E+004 /
CH2CH2CHO=CH2CHCHOH                                    3.60E-13    7.080   25640 !\AUTHOR: SP !\REF: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35 (2015) 181-188!\COMMENT: WARNING
PLOG /  9.87E-04  1.07E+59  -16.460   40190 /
PLOG /  9.87E-04  1.28E+27   -6.560   27630 / ! FIT BTW. 300 AND 900 K WITH MAE OF 0.1%, 0.1%
PLOG /  9.87E-03  8.91E+51  -13.750   40380 /
PLOG /  9.87E-03  5.61E+23   -5.140   28690 / ! FIT BTW. 300 AND 1000 K WITH MAE OF 0.1%, 0.3%
PLOG /  9.87E-02  9.48E+42  -10.500   39940 /
PLOG /  9.87E-02  6.75E+19   -3.650   29390 / ! FIT BTW. 300 AND 1000 K WITH MAE OF 0.2%, 0.3%
!DONG 1027 CONVEREGE REFIT!PLOG /  9.87E-01 -1.60E+22   -2.960   43210 /
!DONG 1027 CONVEREGE REFIT!PLOG /  9.87E-01  1.90E-02    3.830   26520 / ! FIT BTW. 300 AND 1200 K WITH MAE OF 3.3%, 9.7%
PLOG /  9.87E-01  5.83E+06    0.980	  28177.1 / ! FIT BTW. 500 AND 1000 K WITH MAE OF 90%
PLOG /  9.87E+00  1.99E+14   -1.150   33940 /
PLOG /  9.87E+00  1.12E-12   -7.960  -26170 / ! FIT BTW. 300 AND 1200 K WITH MAE OF 9.9%, 19.7%
!DONG 1027 CONVERGE REFIT!PLOG /  9.87E+01 -2.59E-04    5.290   40020 /
!DONG 1027 CONVERGE REFIT!PLOG /  9.87E+01  2.40E-30   12.630   20840 / ! FIT BTW. 300 AND 1200 K WITH MAE OF 1.2%, 3.7%
PLOG /  9.87E+01  1.92E+08	  0.810	  34577.1 /
PLOG /  9.87E+01  6.00E-29	 12.300	  29840.0 / ! FIT BTW. 500 AND 1000 K WITH MAE OF 20%
CH2CH2CHO=C2H5+CO                                      2.07E-25   10.820   16180 !\AUTHOR: SP !\REF: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35 (2015) 181-188!\COMMENT: WARNING
PLOG /  9.87E-04 1.33E+155  -48.330   60650 /
PLOG /  9.87E-04 2.47E+130  -37.170   87750 / ! FIT BTW. 300 AND 900 K WITH MAE OF 81.7%, 291.5%
PLOG /  9.87E-03  1.45E+14   -2.750   23940 /
PLOG /  9.87E-03  1.15E-18  -16.360  -67340 / ! FIT BTW. 300 AND 1000 K WITH MAE OF 14.2%, 38.9%
PLOG /  9.87E-02  6.48E+27   -6.450   30780 /
PLOG /  9.87E-02  2.21E-16  -15.020  -59800 / ! FIT BTW. 300 AND 1000 K WITH MAE OF 38.6%, 105.1%
!DONG 1027 CONVERGE REFIT!PLOG /  9.87E-01 -1.01E+02    2.920   33630 /
!DONG 1027 CONVERGE REFIT!PLOG /  9.87E-01  8.38E-24   10.000   15400 / ! FIT BTW. 300 AND 1200 K WITH MAE OF 30.6%, 145.6%
PLOG /  9.87E-01  3.820E+08	 0.060	26577.12 /
PLOG /  9.87E-01  3.040E-30	12.200	29840.00 / ! FIT BTW. 500 AND 1200 K WITH MAE OF 20.0%
PLOG /  9.87E+00  9.16E-23    8.800   12440 /
PLOG /  9.87E+00  2.43E+28   -5.450   37750 / ! FIT BTW. 300 AND 1200 K WITH MAE OF 2.6%, 4.3%
!DONG 1027 CONVERGE REFIT!PLOG /  9.87E+01 -4.14E-21    9.180   14770 /
!DONG 1027 CONVERGE REFIT!PLOG /  9.87E+01  7.02E-31   12.460   12450 / ! FIT BTW. 300 AND 1200 K WITH MAE OF 37.2%, 191.1%
PLOG /  9.87E+01  2.300E+09	0.385	30077.12 /
PLOG /  9.87E+01  4.004E-29	12.180	18840.00 / ! FIT BTW. 500 AND 1000 K WITH MAE OF 20%
CH2CH2CHO=CH3CHCO+H                               +2.30000000E+027 -4.42000000E+000 +5.19300000E+004 !\Author: SP !\Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +1.12000000E+031 -7.95000000E+000 +4.15200000E+004 /
PLOG /                           +9.86900000E-004 +5.78000000E+014 -7.63000000E+000 +2.04400000E+004 /
PLOG /                           +9.86900000E-003 +4.94000000E+092 -2.68700000E+001 +6.49400000E+004 /
PLOG /                           +9.86900000E-003 +1.17000000E+024 -5.26000000E+000 +3.95300000E+004 /
PLOG /                           +9.86900000E-002 +3.96000000E+062 -1.68100000E+001 +5.55900000E+004 /
PLOG /                           +9.86900000E-002 +5.44000000E+022 -4.41000000E+000 +3.96600000E+004 /
PLOG /                           +9.86900000E-001 +6.68000000E+050 -1.25200000E+001 +5.36900000E+004 /
PLOG /                           +9.86900000E-001 +1.29000000E+020 -3.20000000E+000 +4.00600000E+004 /
PLOG /                           +9.86900000E+000 +7.90000000E+035 -7.38000000E+000 +5.11400000E+004 /
PLOG /                           +9.86900000E+000 +4.00000000E+019 -2.96000000E+000 +4.10600000E+004 /
PLOG /                           +9.86900000E+001 +2.30000000E+027 -4.42000000E+000 +5.19300000E+004 /
PLOG /                           +9.86900000E+001 +4.79000000E+004 +1.93000000E+000 +3.84900000E+004 /
CH2CHCHOH=C2H5+CO                                 +7.47000000E+030 -5.45000000E+000 +6.01200000E+004 !\Author: SP !\Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +4.97000000E+093 -2.61200000E+001 +6.53100000E+004 /
PLOG /                           +9.86900000E-004 +2.22000000E+041 -1.78000000E+001 +1.89800000E+004 /
PLOG /                           +9.86900000E-003 +5.29000000E+040 -9.39000000E+000 +4.80600000E+004 /
PLOG /                           +9.86900000E-003 +9.49000000E+016 -4.28000000E+000 +3.24800000E+004 /
PLOG /                           +9.86900000E-002 +6.89000000E+049 -1.17400000E+001 +5.60000000E+004 /
PLOG /                           +9.86900000E-002 +4.20000000E+025 -4.98000000E+000 +4.28600000E+004 /
PLOG /                           +9.86900000E-001 +2.14000000E+045 -1.00600000E+001 +5.83100000E+004 /
PLOG /                           +9.86900000E-001 +2.69000000E+021 -3.63000000E+000 +4.30900000E+004 /
PLOG /                           +9.86900000E+000 +4.10000000E+030 -5.55000000E+000 +5.45200000E+004 /
PLOG /                           +9.86900000E+000 +5.67000000E+017 -2.74000000E+000 +4.24300000E+004 /
PLOG /                           +9.86900000E+001 +7.47000000E+030 -5.45000000E+000 +6.01200000E+004 /
PLOG /                           +9.86900000E+001 +3.88000000E+003 +1.87000000E+000 +4.00800000E+004 /
CH2CHCHOH=C2H4+HCO                                     3.47E+08    1.110   46090 !\AUTHOR: SP !\REF: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35 (2015) 181-188!\COMMENT: WARNING
PLOG /  9.87E-04  4.12E+54  -13.580   49990 /
PLOG /  9.87E-04  2.73E+39   -9.410   41230 / ! FIT BTW. 300 AND 1000 K WITH MAE OF 0.3%, 0.7%
PLOG /  9.87E-03  3.93E+54  -13.210   52930 /
PLOG /  9.87E-03  2.10E+38   -8.820   43010 / ! FIT BTW. 300 AND 1200 K WITH MAE OF 0.7%, 1.6%
PLOG /  9.87E-02  1.19E+54  -12.710   56650 /
PLOG /  9.87E-02  3.98E+30   -6.110   43450 / ! FIT BTW. 300 AND 1700 K WITH MAE OF 1.9%, 4.0%
!DONG 1027 CONVERGE REFIT!PLOG /  9.87E-01  1.24E+12    0.260   42150 /
!DONG 1027 CONVERGE REFIT!PLOG /  9.87E-01 -3.02E+25   -3.350   55820 / ! FIT BTW. 300 AND 1900 K WITH MAE OF 10.4%, 29.4%
PLOG /  9.87E-01  1.600E-04	4.385	36077.12 /
PLOG /  9.87E-01  1.990E+30	-5.400	48889.00 / ! FIT BTW. 500 AND 1900 K WITH MAE OF 10.4%, 29.4%
PLOG /  9.87E+00  8.75E+41   -8.570   60680 /
PLOG /  9.87E+00  5.24E+15   -1.530   43610 / ! FIT BTW. 300 AND 1900 K WITH MAE OF 6.9%, 13.5%
PLOG /  9.87E+01  8.88E+36   -6.910   64840 /
PLOG /  9.87E+01  5.40E+03    2.030   42020 / ! FIT BTW. 300 AND 2500 K WITH MAE OF 11.6%, 31.8%
CH2CHCHOH=CH3CHCO+H                               +3.65000000E+034 -6.20000000E+000 +6.51500000E+004 !\Author: SP !\Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +1.53000000E+051 -1.30300000E+001 +5.55500000E+004 /
PLOG /                           +9.86900000E-004 +5.47000000E+040 -1.02000000E+001 +4.91900000E+004 /
PLOG /                           +9.86900000E-003 +2.58000000E+053 -1.31500000E+001 +5.78700000E+004 /
PLOG /                           +9.86900000E-003 +1.01000000E+042 -1.01000000E+001 +5.06100000E+004 /
PLOG /                           +9.86900000E-002 +5.49000000E+057 -1.39700000E+001 +6.29200000E+004 /
PLOG /                           +9.86900000E-002 +3.17000000E+033 -6.92000000E+000 +5.03100000E+004 /
PLOG /                           +9.86900000E-001 +2.50000000E+047 -1.04400000E+001 +6.21700000E+004 /
PLOG /                           +9.86900000E-001 +8.34000000E+028 -5.47000000E+000 +5.01800000E+004 /
PLOG /                           +9.86900000E+000 +8.40000000E+035 -6.81000000E+000 +6.03300000E+004 /
PLOG /                           +9.86900000E+000 +1.49000000E+025 -4.48000000E+000 +4.97400000E+004 /
PLOG /                           +9.86900000E+001 +3.65000000E+034 -6.20000000E+000 +6.51500000E+004 /
PLOG /                           +9.86900000E+001 +4.28000000E+010 +2.00000000E-001 +4.71000000E+004 /
CH2CHCHOH=C2H3CHO+H                               +4.58000000E+033 -5.79000000E+000 +6.09700000E+004 !\Author: SP !\Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +6.38000000E+054 -1.35400000E+001 +5.15100000E+004 /
PLOG /                           +9.86900000E-004 +1.48000000E+042 -1.00900000E+001 +4.41700000E+004 /
PLOG /                           +9.86900000E-003 +2.02000000E+055 -1.32700000E+001 +5.43600000E+004 /
PLOG /                           +9.86900000E-003 +5.12000000E+040 -9.35000000E+000 +4.53200000E+004 /
PLOG /                           +9.86900000E-002 +3.40000000E+054 -1.26600000E+001 +5.76400000E+004 /
PLOG /                           +9.86900000E-002 +4.57000000E+029 -5.61000000E+000 +4.40600000E+004 /
PLOG /                           +9.86900000E-001 +4.46000000E+044 -9.41000000E+000 +5.68500000E+004 /
PLOG /                           +9.86900000E-001 +3.49000000E+029 -5.80000000E+000 +4.45900000E+004 /
PLOG /                           +9.86900000E+000 +4.68000000E+032 -5.70000000E+000 +5.47400000E+004 /
PLOG /                           +9.86900000E+000 +3.85000000E+021 -3.42000000E+000 +4.31200000E+004 /
PLOG /                           +9.86900000E+001 +4.58000000E+033 -5.79000000E+000 +6.09700000E+004 /
PLOG /                           +9.86900000E+001 +7.26000000E+005 +1.67000000E+000 +4.02800000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+CH3O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C3H5-A+CH3O2<=>C3H5O+CH3O                         +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: ANOLOGY WITH C3H5-A+HO2 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
C3H5-A+CH3O2<=>AC4H7OOH                           +3.40000000E+029 -5.28000000E+000 +4.53980000E+003 !\Author: WARNING !\Ref: ANOLOGY WITH C3H5-A+HO2 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.91000000E+031 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +6.31000000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +1.03000000E+045 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +2.79000000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +3.40000000E+029 -5.28000000E+000 +4.53980000E+003 /
AC4H7OOH<=>C3H5O+CH3O                             +2.56000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: ANOLOGY WITH C3H5-A+HO2 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +2.56000000E+027 -3.61000000E+000 +4.63331000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONOH
!___________________________________________________________________________________________________________ 
C3H6+OH<=>C3H5OH+H                                +8.19000000E+002 +2.84000000E+000 +1.04810000E+004 !\Author: WARNING !\Ref: ZADOR PHYS. CHEM. CHEM. PHYS., 2009, 11, 11040?1053 !\Comment: WARNING 
PLOG /                           +1.30000000E-003 +2.67000000E+013 +5.00000000E-002 +1.06110000E+004 /
PLOG /                           +1.00000000E-002 +2.75000000E+013 +5.00000000E-002 +1.06230000E+004 /
PLOG /                           +1.30000000E-002 +2.87000000E+013 +4.00000000E-002 +1.06340000E+004 /
PLOG /                           +2.50000000E-002 +1.59000000E+014 -1.60000000E-001 +1.11250000E+004 /
PLOG /                           +1.00000000E-001 +3.10000000E+014 -2.20000000E-001 +1.14070000E+004 /
PLOG /                           +1.31500000E-001 +3.78000000E+014 -2.40000000E-001 +1.14580000E+004 /
PLOG /                           +1.00000000E+000 +9.15000000E+007 +1.42000000E+000 +1.00870000E+004 /
PLOG /                           +1.00000000E+001 +3.66000000E+005 +2.14000000E+000 +1.04100000E+004 /
PLOG /                           +1.00000000E+002 +8.19000000E+002 +2.84000000E+000 +1.04810000E+004 /
C3H6+OH<=>C2H3OH+CH3                              +3.30000000E-001 +3.70000000E+000 +3.66500000E+003 !\Author: WARNING !\Ref: ZADOR PHYS. CHEM. CHEM. PHYS., 2009, 11, 11040?1053 !\Comment: WARNING 
PLOG /                           +1.30000000E-003 +1.29000000E+006 +1.65000000E+000 +1.23300000E+003 /
PLOG /                           +1.00000000E-002 +1.82000000E+004 +2.10000000E+000 +1.16200000E+003 /
PLOG /                           +1.30000000E-002 +2.04000000E+003 +2.48000000E+000 +1.12800000E+003 /
PLOG /                           +2.50000000E-002 +2.88000000E+002 +2.80000000E+000 +1.15200000E+003 /
PLOG /                           +1.00000000E-001 +1.40000000E+001 +3.21000000E+000 +1.20800000E+003 /
PLOG /                           +1.31500000E-001 +7.71000000E+000 +3.29000000E+000 +1.21600000E+003 /
PLOG /                           +1.00000000E+000 +1.13000000E+004 +2.50000000E+000 +3.23800000E+003 /
PLOG /                           +1.00000000E+001 +2.41000000E+019 -1.74000000E+000 +1.31070000E+004 /
PLOG /                           +1.00000000E+002 +3.30000000E-001 +3.70000000E+000 +3.66500000E+003 /
C3H6+OH<=>IC3H5OH+H                               +4.87000000E-004 +4.32000000E+000 +4.02000000E+003 !\Author: WARNING !\Ref: ZADOR PHYS. CHEM. CHEM. PHYS., 2009, 11, 11040?1053 !\Comment: WARNING 
PLOG /                           +1.30000000E-003 +2.87000000E+000 +2.92000000E+000 +6.25000000E+002 /
PLOG /                           +1.00000000E-002 +4.84000000E-001 +2.98000000E+000 +7.04000000E+002 /
PLOG /                           +1.30000000E-002 +3.13000000E-001 +3.04000000E+000 +7.21000000E+002 /
PLOG /                           +2.50000000E-002 +9.33000000E-003 +3.62000000E+000 +6.77000000E+002 /
PLOG /                           +1.00000000E-001 +4.64000000E-005 +4.48000000E+000 +6.87000000E+002 /
PLOG /                           +1.31500000E-001 +2.71000000E-005 +4.56000000E+000 +7.07000000E+002 /
PLOG /                           +1.00000000E+000 +7.65000000E-007 +5.05000000E+000 +8.74000000E+002 /
PLOG /                           +1.00000000E+001 +2.64000000E+015 -8.00000000E-001 +1.27280000E+004 /
PLOG /                           +1.00000000E+002 +4.87000000E-004 +4.32000000E+000 +4.02000000E+003 /
C3H6+OH<=>SC3H5OH+H                               +4.46000000E-006 +5.03000000E+000 +4.13200000E+003 !\Author: WARNING !\Ref: ZADOR PHYS. CHEM. CHEM. PHYS., 2009, 11, 11040?1053 !\Comment: SINEAD, MOD 0509 KWZ 
PLOG /                           +1.30000000E-003 +3.47000000E+006 +1.53000000E+000 +4.28800000E+003 /
PLOG /                           +1.00000000E-002 +1.08000000E+007 +1.34000000E+000 +4.57600000E+003 /
PLOG /                           +1.30000000E-002 +9.76000000E+006 +1.33000000E+000 +4.58900000E+003 /
PLOG /                           +2.50000000E-002 +5.14000000E+006 +1.36000000E+000 +4.59400000E+003 /
PLOG /                           +1.00000000E-001 +3.13000000E+005 +1.69000000E+000 +4.60300000E+003 /
PLOG /                           +1.31500000E-001 +1.39000000E+005 +1.80000000E+000 +4.60300000E+003 /
PLOG /                           +1.00000000E+000 +1.03000000E+002 +2.83000000E+000 +4.53000000E+003 /
PLOG /                           +1.00000000E+001 +3.40000000E-002 +3.89000000E+000 +4.39000000E+003 /
PLOG /                           +1.00000000E+002 +4.46000000E-006 +5.03000000E+000 +4.13200000E+003 /
C3H6+OH<=>CH3CHO+CH3                              +5.45000000E-005 +4.22000000E+000 +1.14100000E+003 !\Author: WARNING !\Ref: ZADOR PHYS. CHEM. CHEM. PHYS., 2009, 11, 11040?1053 !\Comment: WARNING 
PLOG /                           +1.30000000E-003 +6.93000000E+005 +1.49000000E+000 -5.36000000E+002 /
PLOG /                           +1.00000000E-002 +5.94000000E+003 +2.01000000E+000 -5.60000000E+002 /
PLOG /                           +1.30000000E-002 +1.10000000E+003 +2.22000000E+000 -6.80000000E+002 /
PLOG /                           +2.50000000E-002 +1.07000000E+002 +2.50000000E+000 -7.59000000E+002 /
PLOG /                           +1.00000000E-001 +7.83000000E-001 +3.10000000E+000 -9.19000000E+002 /
PLOG /                           +1.31500000E-001 +3.07000000E-001 +3.22000000E+000 -9.46000000E+002 /
PLOG /                           +1.00000000E+000 +3.16000000E-004 +4.05000000E+000 -1.14400000E+003 /
PLOG /                           +1.00000000E+001 +7.59000000E-006 +4.49000000E+000 -6.80000000E+002 /
PLOG /                           +1.00000000E+002 +5.45000000E-005 +4.22000000E+000 +1.14100000E+003 /

!DONG 220710!C3H6OH1-2<=>C3H6+OH                               +3.75000000E+023 -3.22000000E+000 +3.06000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 220710!PLOG /                           +5.26000000E-003 +1.48000000E+028 -5.71000000E+000 +2.63000000E+004 /
!DONG 220710!PLOG /                           +1.00000000E-001 +2.32000000E+032 -6.53000000E+000 +3.02000000E+004 /
!DONG 220710!PLOG /                           +1.00000000E+000 +1.51000000E+033 -6.46000000E+000 +3.24000000E+004 /
!DONG 220710!PLOG /                           +1.00000000E+001 +1.10000000E+030 -5.28000000E+000 +3.26000000E+004 /
!DONG 220710!PLOG /                           +1.00000000E+002 +3.75000000E+023 -3.22000000E+000 +3.06000000E+004 /
!DONG 220710!C3H6OH2-1<=>C3H6+OH                               +4.49000000E+026 -4.08000000E+000 +3.21000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 220710!PLOG /                           +5.26000000E-003 +8.00000000E+028 -5.92000000E+000 +2.66000000E+004 /
!DONG 220710!PLOG /                           +1.00000000E-001 +3.17000000E+033 -6.86000000E+000 +3.05000000E+004 /
!DONG 220710!PLOG /                           +1.00000000E+000 +1.29000000E+035 -7.02000000E+000 +3.31000000E+004 /
!DONG 220710!PLOG /                           +1.00000000E+001 +6.99000000E+032 -6.09000000E+000 +3.37000000E+004 /
!DONG 220710!PLOG /                           +1.00000000E+002 +4.49000000E+026 -4.08000000E+000 +3.21000000E+004 /

C3H6+OH<=>C3H6OH1-2 2.30E+32	-6.31E+00	6.09E+03!\Author: WARNING !\Ref: ZADOR PHYS. CHEM. CHEM. PHYS., 2009, 11, 11040-1053 !\Comment: 80/20 BR FOR TERMINAL/CENTRAL
PLOG /	1.30E-03	2.46E+78	-2.07E+01	3.24E+04	/
PLOG /	1.30E-03	6.85E+59	-1.58E+01	1.16E+04	/
PLOG /	1.00E-02	2.91E+77	-2.00E+01	3.39E+04	/
PLOG /	1.00E-02	7.76E+59	-1.55E+01	1.29E+04	/
PLOG /	1.30E-02	1.13E+76	-1.96E+01	3.29E+04	/
PLOG /	1.30E-02	2.98E+59	-1.53E+01	1.29E+04	/
PLOG /	2.50E-02	3.92E+73	-1.88E+01	3.14E+04	/
PLOG /	2.50E-02	2.83E+58	-1.49E+01	1.29E+04	/
PLOG /	1.00E-01	1.10E+68	-1.70E+01	2.79E+04	/
PLOG /	1.00E-01	1.44E+56	-1.40E+01	1.29E+04	/
PLOG /	1.32E-01	7.71E+66	-1.66E+01	2.72E+04	/
PLOG /	1.32E-01	4.26E+55	-1.39E+01	1.29E+04	/
PLOG /	1.00E+00	2.08E+59	-1.42E+01	2.31E+04	/
PLOG /	1.00E+00	1.65E+50	-1.20E+01	1.15E+04	/
PLOG /	1.00E+01	8.05E+53	-1.22E+01	2.30E+04	/
PLOG /	1.00E+01	6.85E+41	-9.35E+00	8.92E+03	/
PLOG /	1.00E+02	1.53E+48	-1.02E+01	2.38E+04	/
PLOG /	1.00E+02	2.45E+32	-6.31E+00	6.09E+03	/

C3H6+OH<=>C3H6OH2-1  +4.78000000E+047 -1.02300000E+001 +2.37720000E+004 !\Author: WARNING !\Ref: ZADOR PHYS. CHEM. CHEM. PHYS., 2009, 11, 11040-1053 !\Comment: 80/20 BR FOR TERMINAL/CENTRAL
PLOG /	1.30E-03	6.16E+77	-2.07E+01	3.24E+04	/
PLOG /	1.30E-03	1.71E+59	-1.58E+01	1.16E+04	/
PLOG /	1.00E-02	7.28E+76	-2.00E+01	3.39E+04	/
PLOG /	1.00E-02	1.94E+59	-1.55E+01	1.29E+04	/
PLOG /	1.30E-02	2.83E+75	-1.96E+01	3.29E+04	/
PLOG /	1.30E-02	7.44E+58	-1.53E+01	1.29E+04	/
PLOG /	2.50E-02	9.80E+72	-1.88E+01	3.14E+04	/
PLOG /	2.50E-02	7.08E+57	-1.49E+01	1.29E+04	/
PLOG /	1.00E-01	2.76E+67	-1.70E+01	2.79E+04	/
PLOG /	1.00E-01	3.60E+55	-1.40E+01	1.29E+04	/
PLOG /	1.32E-01	1.93E+66	-1.66E+01	2.72E+04	/
PLOG /	1.32E-01	1.06E+55	-1.39E+01	1.29E+04	/
PLOG /	1.00E+00	5.20E+58	-1.42E+01	2.31E+04	/
PLOG /	1.00E+00	4.12E+49	-1.20E+01	1.15E+04	/
PLOG /	1.00E+01	2.01E+53	-1.22E+01	2.30E+04	/
PLOG /	1.00E+01	1.71E+41	-9.35E+00	8.92E+03	/
PLOG /	1.00E+02	3.83E+47	-1.02E+01	2.38E+04	/
PLOG /	1.00E+02	6.12E+31	-6.31E+00	6.09E+03	/

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: AROMATIC_GROWTH
!___________________________________________________________________________________________________________ 
C3H5-A+C2H2<=>CVCCJCVC                            +2.02000000E+029 -5.20700000E+000 +3.65760000E+004 !\Author: LLNL !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +2.26000000E+018 -3.82500000E+000 +2.16750000E+004 /
PLOG /                           +1.00000000E-002 +1.67000000E+019 -3.81700000E+000 +2.13020000E+004 /
PLOG /                           +1.00000000E-001 +5.86000000E+024 -5.08200000E+000 +2.46630000E+004 /
PLOG /                           +1.00000000E+000 +5.94000000E+030 -6.43000000E+000 +2.96020000E+004 /
PLOG /                           +1.00000000E+001 +1.92000000E+033 -6.74700000E+000 +3.40910000E+004 /
PLOG /                           +1.00000000E+002 +2.02000000E+029 -5.20700000E+000 +3.65760000E+004 /
C3H5-A+C2H3=>C5H6+H+H                             +1.60000000E+035 -1.40000000E+001 +6.11377000E+004 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 

!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C3H6
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C3H4-AC3H4-P
!\MECHCOMMENTS: KPS, 22 / 07 / 2015 REACTION CH3CHCHO+H2<=>C2H5CHO+H MOVED FROM JOHN BUGLERS C5 MECHANISM TO THIS MECHANISM AS THIS IS FIRST
!\MECHCOMMENTS: INSTANCE OF CH3CHCHO APPEARING IN MASTER MECHANISM. THE ABOVE CROSS REACTION DOES NOT MEAN THAT A C2H5CHO MECHANISM IS REQUIRED TO SIMULATE THE
!\MECHCOMMENTS: PYROLYSIS OF C3H4-A /C3H4-P AS CH3CHCHO IS ONLY FORMED IN THE OXIDATION OF C3H4-A /C3H4-P DUE TO AN OH ADDITION REACTION
!\MECHCOMMENTS: THERE APPEAR TO BE SOME POORLY DOCUMENTED RATE CONSTANTS IN THE C3H2 AND AROMATIC GROWTH SUB-MODULES. THE C3H3 RECOMBINATION RATE CONSTANTS ARE A MESS. KPS 31 / 07 / 2015
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONHO2
!___________________________________________________________________________________________________________ 
C3H4O1-2<=>C2H2+CH2O                              +6.00000000E+014 +0.00000000E+000 +6.00000000E+004 !\Author: YS TEST NEW CHANNLES BY ANALOGY TO PROPENE !\Ref: WARNING !\Comment: WARNING 
C3H4-P+HO2<=>CH3CCHO+OH                           +1.45000000E+011 +4.80000000E-001 +1.77300000E+004 !\Author: SP !\Ref: ANALOGY TO C2H2+HO2 GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.49000000E+009 +9.10000000E-001 +1.85000000E+004 /
PLOG /                           +1.00000000E-002 +2.41000000E+007 +1.54000000E+000 +1.46900000E+004 /
PLOG /                           +1.00000000E-001 +5.93000000E+009 +9.00000000E-001 +1.85500000E+004 /
PLOG /                           +1.00000000E-001 +2.48000000E+007 +1.54000000E+000 +1.47000000E+004 /
PLOG /                           +3.16000000E-001 +6.80000000E+009 +8.80000000E-001 +1.86400000E+004 /
PLOG /                           +3.16000000E-001 +2.63000000E+007 +1.54000000E+000 +1.47300000E+004 /
PLOG /                           +1.00000000E+000 +1.56000000E+010 +7.70000000E-001 +1.90400000E+004 /
PLOG /                           +1.00000000E+000 +2.50000000E+007 +1.56000000E+000 +1.47900000E+004 /
PLOG /                           +3.16000000E+000 +3.48000000E+009 +9.90000000E-001 +1.88100000E+004 /
PLOG /                           +3.16000000E+000 +1.47000000E+008 +1.32000000E+000 +1.50900000E+004 /
PLOG /                           +1.00000000E+001 +5.39000000E+010 +6.10000000E-001 +2.07400000E+004 /
PLOG /                           +1.00000000E+001 +1.61000000E+008 +1.36000000E+000 +1.54200000E+004 /
PLOG /                           +3.16000000E+001 +3.70000000E+008 +1.23000000E+000 +1.59600000E+004 /
PLOG /                           +3.16000000E+001 +1.67000000E+007 +1.59000000E+000 +1.59100000E+004 /
PLOG /                           +1.00000000E+002 +1.45000000E+011 +4.80000000E-001 +1.77300000E+004 /
PLOG /                           +1.00000000E+002 +7.21000000E+006 +1.73000000E+000 +1.60200000E+004 /
C3H4-P+HO2<=>CH3CHCHO+O                           +5.78000000E+018 -2.09000000E+000 +2.43500000E+004 !\Author: SP !\Ref: ANALOGY TO C2H2+HO2 GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.50000000E+006 +1.19000000E+000 +1.28800000E+004 /
PLOG /                           +1.00000000E-002 +2.94000000E-004 +4.16000000E+000 +7.73600000E+003 /
PLOG /                           +1.00000000E-001 +1.16000000E+008 +7.70000000E-001 +1.36000000E+004 /
PLOG /                           +1.00000000E-001 +6.14000000E-003 +3.81000000E+000 +8.39400000E+003 /
PLOG /                           +3.16000000E-001 +1.20000000E+007 +1.09000000E+000 +1.30500000E+004 /
PLOG /                           +3.16000000E-001 +5.44000000E-004 +4.09000000E+000 +8.04400000E+003 /
PLOG /                           +1.00000000E+000 +3.02000000E+007 +9.80000000E-001 +1.33100000E+004 /
PLOG /                           +1.00000000E+000 +2.48000000E-004 +4.19000000E+000 +8.20300000E+003 /
PLOG /                           +3.16000000E+000 +1.98000000E+074 -1.63300000E+001 +1.09200000E+005 /
PLOG /                           +3.16000000E+000 +6.57000000E+004 +1.85000000E+000 +1.23600000E+004 /
PLOG /                           +1.00000000E+001 +7.50000000E+014 -1.17000000E+000 +1.83500000E+004 /
PLOG /                           +1.00000000E+001 +2.92000000E-001 +3.38000000E+000 +1.05900000E+004 /
PLOG /                           +3.16000000E+001 +8.63000000E+018 -2.27000000E+000 +2.22300000E+004 /
PLOG /                           +3.16000000E+001 +1.95000000E+000 +3.17000000E+000 +1.17400000E+004 /
PLOG /                           +1.00000000E+002 +5.78000000E+018 -2.09000000E+000 +2.43500000E+004 /
PLOG /                           +1.00000000E+002 +1.10000000E-001 +3.52000000E+000 +1.19800000E+004 /
C3H4-P+HO2<=>CH3COCHO+H                           +5.91000000E+021 -3.32000000E+000 +2.50300000E+004 !\Author: SP !\Ref: ANALOGY TO C2H2+HO2 GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.51000000E+007 +4.80000000E-001 +1.17200000E+004 /
PLOG /                           +1.00000000E-002 +2.43000000E-006 +4.43000000E+000 +5.57800000E+003 /
PLOG /                           +1.00000000E-001 +7.43000000E+007 +5.00000000E-001 +1.16900000E+004 /
PLOG /                           +1.00000000E-001 +2.00000000E-006 +4.45000000E+000 +5.56400000E+003 /
PLOG /                           +3.16000000E-001 +7.91000000E+007 +4.90000000E-001 +1.17000000E+004 /
PLOG /                           +3.16000000E-001 +1.81000000E-006 +4.46000000E+000 +5.65400000E+003 /
PLOG /                           +1.00000000E+000 +2.18000000E+009 +6.00000000E-002 +1.24700000E+004 /
PLOG /                           +1.00000000E+000 +2.24000000E-005 +4.17000000E+000 +6.41600000E+003 /
PLOG /                           +3.16000000E+000 +7.00000000E+049 -1.01800000E+001 +7.71100000E+004 /
PLOG /                           +3.16000000E+000 +7.65000000E+005 +1.18000000E+000 +1.13400000E+004 /
PLOG /                           +1.00000000E+001 +4.06000000E+016 -2.03000000E+000 +1.76300000E+004 /
PLOG /                           +1.00000000E+001 +2.01000000E-002 +3.38000000E+000 +8.69600000E+003 /
PLOG /                           +3.16000000E+001 +9.38000000E+016 -2.03000000E+000 +1.95900000E+004 /
PLOG /                           +3.16000000E+001 +6.06000000E-003 +3.53000000E+000 +9.21700000E+003 /
PLOG /                           +1.00000000E+002 +5.91000000E+021 -3.32000000E+000 +2.50300000E+004 /
PLOG /                           +1.00000000E+002 +6.76000000E-002 +3.27000000E+000 +1.07600000E+004 /
C3H4-P+HO2<=>CH3CHCO+OH                           +3.58000000E+003 +1.97000000E+000 +2.30100000E+004 !\Author: SP !\Ref: ANALOGY TO C2H2+HO2 GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.25000000E-007 +4.75000000E+000 +1.55300000E+004 /
PLOG /                           +1.00000000E-002 +1.31000000E-014 +6.58000000E+000 +1.02700000E+004 /
PLOG /                           +1.00000000E-001 +6.70000000E-007 +4.74000000E+000 +1.55500000E+004 /
PLOG /                           +1.00000000E-001 +1.29000000E-014 +6.59000000E+000 +1.03300000E+004 /
PLOG /                           +3.16000000E-001 +4.18000000E-007 +4.81000000E+000 +1.54100000E+004 /
PLOG /                           +3.16000000E-001 +3.99000000E-014 +6.36000000E+000 +1.02700000E+004 /
PLOG /                           +1.00000000E+000 +5.28000000E-007 +4.78000000E+000 +1.54600000E+004 /
PLOG /                           +1.00000000E+000 +3.28000000E-015 +6.70000000E+000 +1.00900000E+004 /
PLOG /                           +3.16000000E+000 +1.04000000E-006 +4.69000000E+000 +1.56400000E+004 /
PLOG /                           +3.16000000E+000 +8.71000000E-021 +8.30000000E+000 +8.10700000E+003 /
PLOG /                           +1.00000000E+001 +4.68000000E-005 +4.22000000E+000 +1.67800000E+004 /
PLOG /                           +1.00000000E+001 +8.36000000E-022 +8.76000000E+000 +8.80400000E+003 /
PLOG /                           +3.16000000E+001 +8.99000000E-001 +2.97000000E+000 +1.97300000E+004 /
PLOG /                           +3.16000000E+001 +6.87000000E-014 +6.67000000E+000 +1.31300000E+004 /
PLOG /                           +1.00000000E+002 +3.58000000E+003 +1.97000000E+000 +2.30100000E+004 /
PLOG /                           +1.00000000E+002 +6.63000000E-012 +6.15000000E+000 +1.47300000E+004 /
C3H4-P+HO2<=>CH3CHO+HCO                           +2.47000000E+016 -1.70000000E+000 +2.00300000E+004 !\Author: SP !\Ref: ANALOGY TO C2H2+HO2 GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.90000000E+013 -1.17000000E+000 +1.37500000E+004 /
PLOG /                           +1.00000000E-002 +8.43000000E+000 +2.56000000E+000 +7.38200000E+003 /
PLOG /                           +1.00000000E-001 +4.26000000E+000 +2.64000000E+000 +7.25300000E+003 /
PLOG /                           +1.00000000E-001 +1.56000000E+013 -1.05000000E+000 +1.35200000E+004 /
PLOG /                           +3.16000000E-001 +2.59000000E-006 +4.34000000E+000 +4.52500000E+003 /
PLOG /                           +3.16000000E-001 +6.90000000E+009 -0.00000000E+000 +1.17200000E+004 /
PLOG /                           +1.00000000E+000 +3.33000000E+102 -2.41800000E+001 +1.38600000E+005 /
PLOG /                           +1.00000000E+000 +8.07000000E+007 +6.00000000E-001 +1.08500000E+004 /
PLOG /                           +3.16000000E+000 +5.22000000E+015 -1.75000000E+000 +1.51800000E+004 /
PLOG /                           +3.16000000E+000 +3.54000000E+000 +2.69000000E+000 +8.02500000E+003 /
PLOG /                           +1.00000000E+001 +7.32000000E+035 -7.77000000E+000 +2.69700000E+004 /
PLOG /                           +1.00000000E+001 +9.84000000E+006 +9.10000000E-001 +1.17100000E+004 /
PLOG /                           +3.16000000E+001 +1.78000000E+028 -5.30000000E+000 +2.51300000E+004 /
PLOG /                           +3.16000000E+001 +1.79000000E+004 +1.70000000E+000 +1.12500000E+004 /
PLOG /                           +1.00000000E+002 +2.47000000E+016 -1.70000000E+000 +2.00300000E+004 /
PLOG /                           +1.00000000E+002 +4.32000000E-006 +4.31000000E+000 +6.82900000E+003 /
C3H4-P+HO2=>CH3CHO+H+CO                           +5.77000000E+016 -1.70000000E+000 +2.00300000E+004 !\Author: SP !\Ref: ANALOGY TO C2H2+HO2 GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +9.10000000E+013 -1.17000000E+000 +1.37500000E+004 /
PLOG /                           +1.00000000E-002 +1.97000000E+001 +2.56000000E+000 +7.38200000E+003 /
PLOG /                           +1.00000000E-001 +9.94000000E+000 +2.64000000E+000 +7.25300000E+003 /
PLOG /                           +1.00000000E-001 +3.63000000E+013 -1.05000000E+000 +1.35200000E+004 /
PLOG /                           +3.16000000E-001 +6.05000000E-006 +4.34000000E+000 +4.52500000E+003 /
PLOG /                           +3.16000000E-001 +1.61000000E+010 -0.00000000E+000 +1.17200000E+004 /
PLOG /                           +1.00000000E+000 +7.77000000E+102 -2.41800000E+001 +1.38600000E+005 /
PLOG /                           +1.00000000E+000 +1.88000000E+008 +6.00000000E-001 +1.08500000E+004 /
PLOG /                           +3.16000000E+000 +1.22000000E+016 -1.75000000E+000 +1.51800000E+004 /
PLOG /                           +3.16000000E+000 +8.26000000E+000 +2.69000000E+000 +8.02500000E+003 /
PLOG /                           +1.00000000E+001 +1.71000000E+036 -7.77000000E+000 +2.69700000E+004 /
PLOG /                           +1.00000000E+001 +2.30000000E+007 +9.10000000E-001 +1.17100000E+004 /
PLOG /                           +3.16000000E+001 +4.14000000E+028 -5.30000000E+000 +2.51300000E+004 /
PLOG /                           +3.16000000E+001 +4.19000000E+004 +1.70000000E+000 +1.12500000E+004 /
PLOG /                           +1.00000000E+002 +5.77000000E+016 -1.70000000E+000 +2.00300000E+004 /
PLOG /                           +1.00000000E+002 +1.01000000E-005 +4.31000000E+000 +6.82900000E+003 /
C3H4-P+HO2<=>CO+C2H5O                             +1.17000000E+018 -2.57000000E+000 +2.23600000E+004 !\Author: SP !\Ref: ANALOGY TO C2H2+HO2 GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.54000000E+011 +0.00000000E+000 +4.95100000E+004 /
PLOG /                           +1.00000000E-002 +2.89000000E+004 +1.23000000E+000 +9.90300000E+003 /
PLOG /                           +1.00000000E-001 +2.78000000E+008 +1.00000000E-002 +1.19200000E+004 /
PLOG /                           +1.00000000E-001 +9.67000000E-007 +4.15000000E+000 +5.17300000E+003 /
PLOG /                           +3.16000000E-001 +8.06000000E+007 +1.80000000E-001 +1.16500000E+004 /
PLOG /                           +3.16000000E-001 +1.84000000E-008 +4.62000000E+000 +4.51700000E+003 /
PLOG /                           +1.00000000E+000 +8.94000000E+069 -1.58500000E+001 +1.02500000E+005 /
PLOG /                           +1.00000000E+000 +5.38000000E+005 +8.60000000E-001 +1.07000000E+004 /
PLOG /                           +3.16000000E+000 +5.66000000E+012 -1.25000000E+000 +1.45700000E+004 /
PLOG /                           +3.16000000E+000 +5.37000000E-004 +3.42000000E+000 +7.21800000E+003 /
PLOG /                           +1.00000000E+001 +3.30000000E+023 -4.45000000E+000 +2.12100000E+004 /
PLOG /                           +3.16000000E+001 +2.43000000E+022 -3.96000000E+000 +2.26500000E+004 /
PLOG /                           +3.16000000E+001 +8.11000000E+000 +2.30000000E+000 +1.05600000E+004 /
PLOG /                           +1.00000000E+002 +1.17000000E+018 -2.57000000E+000 +2.23600000E+004 /
PLOG /                           +1.00000000E+002 +6.86000000E-004 +3.42000000E+000 +9.32900000E+003 /
C3H4-P+HO2<=>CO2+C2H5                             +1.71000000E+015 -1.80000000E+000 +2.03700000E+004 !\Author: SP !\Ref: ANALOGY TO C2H2+HO2 GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.15000000E-007 +4.31000000E+000 +4.61400000E+003 /
PLOG /                           +1.00000000E-002 +2.01000000E+008 +0.00000000E+000 +1.17900000E+004 /
PLOG /                           +1.00000000E-001 +1.10000000E-007 +4.32000000E+000 +4.62200000E+003 /
PLOG /                           +1.00000000E-001 +2.01000000E+008 +0.00000000E+000 +1.17800000E+004 /
PLOG /                           +3.16000000E-001 +1.75000000E+142 -3.50400000E+001 +1.88700000E+005 /
PLOG /                           +3.16000000E-001 +1.55000000E+005 +9.50000000E-001 +1.02000000E+004 /
PLOG /                           +1.00000000E+000 +3.96000000E+084 -1.98000000E+001 +1.19800000E+005 /
PLOG /                           +1.00000000E+000 +1.38000000E+006 +6.80000000E-001 +1.08100000E+004 /
PLOG /                           +3.16000000E+000 +5.02000000E+013 -1.60000000E+000 +1.49800000E+004 /
PLOG /                           +3.16000000E+000 +9.29000000E-003 +3.00000000E+000 +7.65900000E+003 /
PLOG /                           +1.00000000E+001 +8.56000000E+028 -6.15000000E+000 +2.40300000E+004 /
PLOG /                           +1.00000000E+001 +1.86000000E+004 +1.26000000E+000 +1.12300000E+004 /
PLOG /                           +3.16000000E+001 +1.28000000E+027 -5.42000000E+000 +2.53800000E+004 /
PLOG /                           +3.16000000E+001 +2.89000000E+002 +1.79000000E+000 +1.12400000E+004 /
PLOG /                           +1.00000000E+002 +1.71000000E+015 -1.80000000E+000 +2.03700000E+004 /
PLOG /                           +1.00000000E+002 +3.90000000E-007 +4.21000000E+000 +7.31400000E+003 /
C3H4-P+HO2<=>SC3H5OO                              +2.53000000E+035 -7.26000000E+000 +2.63900000E+004 !\Author: SP !\Ref: ANALOGY TO C2H2+HO2 GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.99000000E+006 -1.02000000E+000 +9.15200000E+003 /
PLOG /                           +1.00000000E-002 +1.88000000E+026 -8.34000000E+000 +9.24900000E+003 /
PLOG /                           +1.00000000E-001 +6.02000000E+017 -3.82000000E+000 +1.07900000E+004 /
PLOG /                           +1.00000000E-001 +5.26000000E+129 -4.17400000E+001 +3.59300000E+004 /
PLOG /                           +3.16000000E-001 +2.47000000E+048 -1.28200000E+001 +2.52200000E+004 /
PLOG /                           +3.16000000E-001 +1.96000000E+018 -3.67000000E+000 +1.04800000E+004 /
PLOG /                           +1.00000000E+000 +4.06000000E+050 -1.30700000E+001 +2.72200000E+004 /
PLOG /                           +1.00000000E+000 +4.93000000E+021 -4.37000000E+000 +1.22200000E+004 /
PLOG /                           +3.16000000E+000 +9.08000000E+046 -1.15700000E+001 +2.68800000E+004 /
PLOG /                           +3.16000000E+000 +1.92000000E+022 -4.28000000E+000 +1.30800000E+004 /
PLOG /                           +1.00000000E+001 +4.60000000E+043 -1.02400000E+001 +2.69300000E+004 /
PLOG /                           +1.00000000E+001 +2.11000000E+021 -3.78000000E+000 +1.33800000E+004 /
PLOG /                           +3.16000000E+001 +5.61000000E+038 -8.49000000E+000 +2.62100000E+004 /
PLOG /                           +3.16000000E+001 +1.39000000E+020 -3.30000000E+000 +1.34100000E+004 /
PLOG /                           +1.00000000E+002 +2.53000000E+035 -7.26000000E+000 +2.63900000E+004 /
PLOG /                           +1.00000000E+002 +1.42000000E+019 -2.91000000E+000 +1.34200000E+004 /
CH3CCHO+O2=>CO2+H+CH3CO                           +2.10000000E+009 +9.92900000E-001 -2.69000000E+002 !\Author: SP !\Ref: ANALOGY TO CHCHO+O2<=>CO2+H+HCO GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
CH3CCHO+O2<=>CH3COCHO+O                           +1.30000000E+006 +2.42020000E+000 +1.60400000E+003 !\Author: SP !\Ref: ANALOGY TO CHCHO+O2<=>CHOCHO+O GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
PC3H4OH-2+O2<=>CH3COCHO+OH                        +2.53000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: ANALOGY TO C2H2OH+O2<=>CHOCHO+OH M.SIESE, C.ZETZSCH, Z. PHYS. CHEM. 188(1995) 75-89 !\Comment: WARNING 
CH2CCH2OH+O2=C3H5O31                              +4.64000000E+030 -5.51000000E+000 +7.33000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.83000000E+031 -7.74000000E+000 +5.06100000E+003 /
PLOG /                           +1.00000000E-001 +7.42000000E+039 -9.66000000E+000 +6.05200000E+003 /
PLOG /                           +3.16000000E-001 +1.97000000E+042 -1.00500000E+001 +7.46300000E+003 /
PLOG /                           +1.00000000E+000 +5.52000000E+042 -9.87000000E+000 +8.63300000E+003 /
PLOG /                           +3.16000000E+000 +3.27000000E+041 -9.24000000E+000 +9.29700000E+003 /
PLOG /                           +1.00000000E+001 +1.07000000E+039 -8.28000000E+000 +9.36200000E+003 /
PLOG /                           +3.16000000E+001 +8.38000000E+034 -6.89000000E+000 +8.49900000E+003 /
PLOG /                           +1.00000000E+002 +4.64000000E+030 -5.51000000E+000 +7.33000000E+003 /
CH2CCH2OH+O2=CH2O+HOCH2CO                         +9.27000000E+021 -2.74000000E+000 +9.36400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.13000000E+020 -2.57000000E+000 +2.36600000E+003 /
PLOG /                           +1.00000000E-001 +5.55000000E+020 -2.61000000E+000 +2.45800000E+003 /
PLOG /                           +3.16000000E-001 +2.55000000E+021 -2.79000000E+000 +2.97400000E+003 /
PLOG /                           +1.00000000E+000 +9.03000000E+022 -3.21000000E+000 +4.29600000E+003 /
PLOG /                           +3.16000000E+000 +7.37000000E+024 -3.73000000E+000 +6.25900000E+003 /
PLOG /                           +1.00000000E+001 +1.36000000E+025 -3.76000000E+000 +7.61400000E+003 /
PLOG /                           +3.16000000E+001 +9.70000000E+024 -3.66000000E+000 +9.23200000E+003 /
PLOG /                           +1.00000000E+002 +9.27000000E+021 -2.74000000E+000 +9.36400000E+003 /
C3H5O31=>C3H5O32                                  +2.61000000E+010 +2.90000000E-001 +2.04000000E+004 !\Author: SP ANOLOGY TO TQJC3H6OH<=>TQC3H6OI !\Ref: FOURNET ET AL. !\Comment: WARNING 
C3H5O32=>CH2O+CH2CO+OH                            +1.99000000E+019 -1.50000000E+000 +1.08200000E+004 !\Author: SP ANOLOGY TO TQC3H6OI<=>CH3CHO+CH2O+OH !\Ref: FOURNET ET AL. !\Comment: WARNING 

C3H5O31<=>CH2O+HOCH2CO                            +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 !\Author: SP !\Ref: ANALOGY TO TC3H5OO<=>CH2O+CH3CO !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.66000000E+174 -5.55200000E+001 +6.03200000E+004 /
PLOG /                           +1.00000000E-002 +2.27000000E+035 -7.97000000E+000 +3.12800000E+004 /
PLOG /                           +1.00000000E-001 +9.03000000E+066 -1.72500000E+001 +4.81200000E+004 /
PLOG /                           +1.00000000E-001 +2.08000000E+026 -4.96000000E+000 +2.87800000E+004 /
PLOG /                           +3.16000000E-001 +1.82000000E+043 -9.87000000E+000 +3.79600000E+004 /
PLOG /                           +3.16000000E-001 +1.45000000E+020 -3.08000000E+000 +2.66300000E+004 /
PLOG /                           +1.00000000E+000 +8.64000000E+033 -6.88000000E+000 +3.43700000E+004 /
PLOG /                           +1.00000000E+000 +1.06000000E+130 -3.93800000E+001 +5.47000000E+004 /
PLOG /                           +3.16000000E+000 +7.29000000E+171 -4.35300000E+001 +1.91900000E+005 /
PLOG /                           +3.16000000E+000 +2.35000000E+034 -6.87000000E+000 +3.57000000E+004 /
PLOG /                           +1.00000000E+001 +1.03000000E+032 -6.06000000E+000 +3.55000000E+004 /
PLOG /                           +1.00000000E+001 +2.18000000E+175 -5.37800000E+001 +6.85000000E+004 /
PLOG /                           +3.16000000E+001 +1.85000000E+034 -6.57000000E+000 +3.85100000E+004 /
PLOG /                           +3.16000000E+001 +1.07000000E+185 -5.42200000E+001 +8.89900000E+004 /
PLOG /                           +1.00000000E+002 +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+002 +4.68000000E+002 +1.81000000E+000 +1.81000000E+004 /
C3H5O31=>CH2O+CO+CH2OH                            +1.33000000E+030 -5.19000000E+000 +3.68000000E+004 !\Author: SP !\Ref: TC3H5OO=>CH2O+CH3+CO GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.88000000E+174 -5.55200000E+001 +6.03200000E+004 /
PLOG /                           +1.00000000E-002 +5.29000000E+035 -7.97000000E+000 +3.12800000E+004 /
PLOG /                           +1.00000000E-001 +2.11000000E+067 -1.72500000E+001 +4.81200000E+004 /
PLOG /                           +1.00000000E-001 +4.85000000E+026 -4.96000000E+000 +2.87800000E+004 /
PLOG /                           +3.16000000E-001 +4.26000000E+043 -9.87000000E+000 +3.79600000E+004 /
PLOG /                           +3.16000000E-001 +3.37000000E+020 -3.08000000E+000 +2.66300000E+004 /
PLOG /                           +1.00000000E+000 +2.02000000E+034 -6.88000000E+000 +3.43700000E+004 /
PLOG /                           +1.00000000E+000 +2.46000000E+130 -3.93800000E+001 +5.47000000E+004 /
PLOG /                           +3.16000000E+000 +1.70000000E+172 -4.35300000E+001 +1.91900000E+005 /
PLOG /                           +3.16000000E+000 +5.49000000E+034 -6.87000000E+000 +3.57000000E+004 /
PLOG /                           +1.00000000E+001 +2.40000000E+032 -6.06000000E+000 +3.55000000E+004 /
PLOG /                           +1.00000000E+001 +5.09000000E+175 -5.37800000E+001 +6.85000000E+004 /
PLOG /                           +3.16000000E+001 +4.32000000E+034 -6.57000000E+000 +3.85100000E+004 /
PLOG /                           +3.16000000E+001 +2.49000000E+185 -5.42200000E+001 +8.89900000E+004 /
PLOG /                           +1.00000000E+002 +1.33000000E+030 -5.19000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+002 +1.09000000E+003 +1.81000000E+000 +1.81000000E+004 /



!SC3H4OH+HO2=CH2COHCH2OOH                          +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!SC3H4OH+HO2=CH2COHCH2O+OH                         +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!SC3H4OH+HO2=CH2COHCHO+H2O                        +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!CH2COHCH2OOH=CH2COHCH2O+OH                        +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!CH2COHCH2OOH=CH2COHCHO+H2O                       +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!CH2COHCH2O=CH2COHCHO+H                           +2.57000000E+020 -2.06000000E+000 +2.20401000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

SC3H4OH+HO2=CH2COHCH2O+OH                             +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
SC3H4OH+HO2=CH2COHCH2OOH                             +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.91000000E+031 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +6.31000000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +1.03000000E+045 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +2.79000000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 /
SC3H4OH+HO2=CH2COHCHO+H2O                          +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.09000000E+000 +3.01000000E+000 -3.42110000E+003 /
PLOG /                           +1.00000000E-001 +6.35000000E+001 +2.50000000E+000 -2.34140000E+003 /
PLOG /                           +1.00000000E+000 +6.05000000E+005 +1.39000000E+000 +5.95100000E+002 /
PLOG /                           +1.00000000E+001 +3.10000000E+005 +1.59000000E+000 +2.67760000E+003 /
PLOG /                           +1.00000000E+002 +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 /
CH2COHCH2OOH=CH2COHCHO+H2O                             +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.99000000E+050 -1.27000000E+001 +5.35319000E+004 /
PLOG /                           +1.00000000E-001 +4.72000000E+047 -1.15000000E+001 +5.43609000E+004 /
PLOG /                           +1.00000000E+000 +1.50000000E+040 -8.84000000E+000 +5.31792000E+004 /
PLOG /                           +1.00000000E+001 +2.54000000E+028 -5.00000000E+000 +4.99194000E+004 /
PLOG /                           +1.00000000E+002 +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 /
CH2COHCH2OOH=CH2COHCH2O+OH                              +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref:
!PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
!PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
!PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
!PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
!PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /

PLOG	/	1.00E-02	2.98E+58	-1.39E+01	5.43E+04	/
PLOG	/	1.00E-01	3.60E+54	-1.24E+01	5.42E+04	/
PLOG	/	1.00E+00	6.72E+46	-9.81E+00	5.25E+04	/
PLOG	/	1.00E+01	4.78E+36	-6.54E+00	4.94E+04	/
PLOG	/	1.00E+02	2.56E+27	-3.61E+00	4.63E+04	/

CH2COHCH2O=CH2COHCHO+H                                +2.57000000E+020 -2.06000000E+000 +2.20401000E+004 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +3.00000000E+015 -2.31000000E+000 +1.46679000E+004 /
PLOG /                           +1.00000000E-002 +1.50000000E+022 -3.96000000E+000 +1.82830000E+004 /
PLOG /                           +1.00000000E-001 +1.95000000E+023 -3.99000000E+000 +1.91433000E+004 /
PLOG /                           +1.00000000E+000 +1.15000000E+025 -4.24000000E+000 +2.03112000E+004 /
PLOG /                           +1.00000000E+001 +1.76000000E+028 -4.89000000E+000 +2.27652000E+004 /
PLOG /                           +1.00000000E+002 +1.41000000E+027 -4.28000000E+000 +2.37706000E+004 /
PLOG /                           +1.00000000E+003 +2.57000000E+020 -2.06000000E+000 +2.20401000E+004 /

CH2COHCH2O=HCO+C2H3OH                             +4.75000000E+008 +1.14000000E+000 +2.09225000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!CH2COHCH2O=CH2(OH)OCH2                            +1.35000000E+018 -1.73000000E+000 +1.73865000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH2COHCH2O=CH2O+SC2H2OH                           +8.52000000E+025 -3.61000000E+000 +2.78634000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

C3H4-A+HO2=CH2COOHCH2                           1.000E+00 3.484 10166.759 !\Author: sp 
PLOG /                           +1.00000000E-002 +3.504E+32 -7.847 17829.840 /
PLOG /                           +1.00000000E+000 +3.278E+28 -5.414 20790.121 /
PLOG /                           +1.00000000E+001  7.316E+18 -2.213 18445.035 /
PLOG /                           +1.00000000E+002  1.000E+00 3.484 10166.759  /

C3H4-A+HO2=TC3H5OO                            1.000E+00 2.727 3361.395 !\Author: sp
PLOG /                           +1.00000000E-002 +2.900E+14 -3.733 2102.282 /
PLOG /                           +1.00000000E+000 +6.852E+20 -4.145 9146.094 /
PLOG /                           +1.00000000E+001  2.209E+13 -1.434 8401.038 /
PLOG /                           +1.00000000E+002 +1.000E+00 2.727 3361.395 /

C3H4-A+HO2=CH2COCH2+OH                            1.000E+00 3.656 18516.234!\Author: sp
PLOG /                           +1.00000000E-002 4.465E+03 2.438 12390.749 /
PLOG /                           +1.00000000E+000 +2.371E+09 0.896 18121.984 /
PLOG /                           +1.00000000E+001 5.499E+03 2.612 18054.067 /
PLOG /                           +1.00000000E+002 1.000E+00 3.656 18516.234 /

C3H4-A+HO2=CH3COCH2+O                            1.000E+00 3.533 17408.103  !\Author: sp
PLOG /                           +1.00000000E-002 +1.000E+00 3.436 12171.456 /
PLOG /                           +1.00000000E+000 1.000E+00 3.476 13133.493 /
PLOG /                           +1.00000000E+001 1.000E+00 3.534 15089.615 /
PLOG /                           +1.00000000E+002 1.000E+00 3.533 17408.103 /

C3H4-A+HO2=CH3COCH+OH                           +1.000E+00 3.125 20925.432 !\Author: sp
PLOG /                           +1.00000000E-002 1.000E+00 2.907 13035.804 /
PLOG /                           +1.00000000E+000 +1.000E+00 2.956 14163.587 /
PLOG /                           +1.00000000E+001 +1.000E+00 3.050 16856.565 /
PLOG /                           +1.00000000E+002 +1.000E+00 3.125 20925.432 /

C3H4-A+HO2=CH2O+CH3CO                           1.000E+00 3.067 12082.128 !\Author: sp
PLOG /                           +1.00000000E-002 1.000E+00 2.894 4697.996 /
PLOG /                           +1.00000000E+000 1.000E+00 2.956 6028.383 /
PLOG /                           +1.00000000E+001 1.000E+00 3.032 8493.206 /
PLOG /                           +1.00000000E+002 1.000E+00 3.067 12082.128 /

C3H4-A+HO2=C3H4-P+HO2                          1.000E+00 3.149 19778.270 !\Author: sp
PLOG /                           +1.00000000E-002 1.000E+00 3.054 14720.667 /
PLOG /                           +1.00000000E+000 1.000E+00 3.090 15594.171 /
PLOG /                           +1.00000000E+001 1.000E+00 3.147 17468.022 /
PLOG /                           +1.00000000E+002 1.000E+00 3.149 19778.270 /

C3H4-A+HO2=CH3O+CH2CO                          1.000E+00 2.450 17490.158!\Author: sp
PLOG /                           +1.00000000E-002 +1.000E+00 2.214 6987.897 /
PLOG /                           +1.00000000E+000 1.000E+00 2.274 8329.938 /
PLOG /                           +1.00000000E+001 1.000E+00 2.367 11315.044 /
PLOG /                           +1.00000000E+002 1.000E+00 2.450 17490.158 /

CH2COOHCH2=CH2COCH2+OH                          +1.000E+00 3.451 19826.077 !\Author: sp
PLOG /                           +1.00000000E-002 1.000E+00 3.208 18894.709	 /
PLOG /                           +1.00000000E+000 1.000E+00 3.389 19558.047 /
PLOG /                           +1.00000000E+001 1.000E+00 3.392 19478.518 /
PLOG /                           +1.00000000E+002 1.000E+00 3.451 19826.077 /



CH2COCH2+O2=CH3COCHO+O                             +1.30000000E+005 +2.42020000E+000 +1.60400000E+003 !\Author: SP !\Ref: ANALOGY TO CHCHO+O2<=>CHOCHO+O !\Comment: WARNING 
CH2COCH2+O2=>CO2+H+CH3CO                           +2.10000000E+009 +9.92900000E-001 -2.69000000E+002 !\Author: SP !\Ref: ANALOGY TO CHCHO+O2<=>CO2+H+HCO GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 



!C3H4-A+HO2=CH2COOHCH2     1.000E+00 3.492 10309.089
!C3H4-A+HO2=CH3COCH+OH    1.000E+00 3.628 18064.861
!C3H4-A+HO2=CH3COCH2+O    1.000E+00 3.495 16828.159
!C3H4-A+HO2=TC3H5OO       1.000E+00 2.727 3365.320
!C3H4-A+HO2=CH2O+CH3CO    1.000E+00 3.067 12081.555
!CH2COOHCH2=CH3COCH+OH   1.000E+00 3.451 19825.760
!C3H4-A+HO2=C3H4-P+HO2       1.000E+00 3.116 19205.410
!!C3H4-A+HO2=CH3COCH+OH    1.000E+00 3.116 20768.408
!


!CH2CCH2OOH=C3H4-A+HO2                  +9.92000000E+017 -1.81000000E+000 +1.90600000E+004 !\Author: sp !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: C3H6OOH1-2<=>HO2+C3H6 
!PLOG / 0.01 1.49E-015 9.24 18960.6/
!PLOG / 0.1 2.9E-044 17.6 1888.7/
!PLOG / 1 1.08E+031 -4.56 32122.6/
!PLOG / 10 1.16E-009 7.46 14745.7/
!PLOG / 100 1.27E-015 8.78 9266.54/  

!CH2CCH2OOH=C3H4-A+HO2    5.08E-15   8.78	9266.54

CH2CCH2OOH=C3H4-A+HO2     2.72E+14  -0.381   18200 !!\Author: SP !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: H22=P2-8+HO2


CH2CHCH2OO<=>OH+C2H3CHO                                  1.98E+09    1.200   39700 !\AUTHOR: SP !\REF: S. SHARMA, S. RAMAN, W. H. GREEN,JPCA 114, 2010, 5689-5701 !\COMMENT: NC3H7O2<=>OH+C2H5CHO
!CH2CHCH2OO=CH2CCH2OOH         +2.79000000E+042 -1.01000000E+001 +3.91082000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: NC3H7O2<=>C3H6OOH1-2  
!PLOG /                           +1.00000000E-002 +9.48000000E+020 -5.14000000E+000 +2.37097000E+004 /
!PLOG /                           +1.00000000E-001 +1.24000000E+022 -4.93000000E+000 +2.64778000E+004 /
!PLOG /                           +1.00000000E+000 +1.99000000E+020 -3.92000000E+000 +2.76341000E+004 /
!PLOG /                           +1.00000000E+001 +2.58000000E+042 -1.03000000E+001 +3.76702000E+004 /
!PLOG /                           +1.00000000E+002 +2.79000000E+042 -1.01000000E+001 +3.91082000E+004 /

CH2CCH2OOH=CH2CHCH2OO         1.48E-01 3.519 5300!\Author: SP !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: H22=RO2-2
CH2CHCH2OO=C3H5-A+O2   6.15E+11 0.464 19900!\Author: SP !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: RO2-2=R-2+O2
CH2CHCH2OO=C3H4-A+HO2    2.55E+08 1.294 37900 !\Author: SP !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: RO2-2=P2-8+HO2
CH2CHCH2OO=CCY(CCOO)  1.58E+10 0.282 24900!\Author: SP !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: RO2-2=A2-1
CH2CHCH2OO=CY(CCCOO)  1.79E+08 0.710 26700!\Author: SP !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: RO2-2=A2-2
CCY(CCOO)=CY(CCO)CO  1.15E+11 0.353 13300!\Author: SP !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: A2-1=A2-12R
CY(CCO)CO=C2H3O1-2+CH2O  3.27E+09 0.586 9200!\Author: SP !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: A2-12R=P2-12+P2-13
CY(CCO)CO=CY(CCCOO)       4.11E+09 0.775 54700!\Author: SP !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: A2-12R=A2-2

CH2CHCH2OO<=>OH+C3H4O1-2                             +7.93000000E+033 -6.68000000E+000 +4.37971000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.09000000E+047 -1.26000000E+001 +3.66774000E+004 /
PLOG /                           +1.00000000E-001 +5.45000000E+052 -1.37000000E+001 +4.06341000E+004 /
PLOG /                           +1.00000000E+000 +7.59000000E+033 -7.28000000E+000 +3.75640000E+004 /
PLOG /                           +1.00000000E+001 +3.28000000E+021 -2.88000000E+000 +3.73428000E+004 /
PLOG /                           +1.00000000E+002 +7.93000000E+033 -6.68000000E+000 +4.37971000E+004 /
!CH2CCH2OOH<=>OH+C3H4O1-2                          +8.02000000E+013 -5.80000000E-001 +1.27200000E+004 !\Author: SP !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
!PLOG / 0.01 7.76 3.2 8964.96/
!PLOG / 0.1 3.64E-005 4.82 5689.6/
!PLOG / 1 1.74E+017 -1.42 15417.4/
!PLOG / 10 1.17E+004 2.74 10759.4/
!PLOG / 100 3.34E+014 -0.746 13073.8/

CH2CCH2OOH<=>OH+C3H4O1-2     1.62E+13  -0.126  15900 !\Author: SP !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: H22=P2-3+OH

CH2CCH2OOH+O2=CH2COOCH2OOH                                   4.64E+30       -5.51    7330.0!CH2CCH2OH+O2=C3H5O31
PLOG/1.000E-02    2.83E+31       -7.74    5061.0/                             ! fit btw. 500 and 1000 K with MAE of 0.5%, 1.2%
PLOG/1.000E-01    7.42E+39       -9.66    6052.0/                             ! fit btw. 500 and 1150 K with MAE of 0.6%, 1.3%
PLOG/3.160E-01    1.97E+42      -10.05    7463.0/                             ! fit btw. 500 and 1200 K with MAE of 0.8%, 1.6%
PLOG/1.000E+00    5.52E+42       -9.87    8633.0/                             ! fit btw. 500 and 1300 K with MAE of 1.5%, 3.9%
PLOG/3.160E+00    3.27E+41       -9.24    9297.0/                             ! fit btw. 500 and 1400 K with MAE of 3.0%, 7.6%
PLOG/1.000E+01    1.07E+39       -8.28    9362.0/                             ! fit btw. 500 and 1550 K with MAE of 5.1%, 12.5%
PLOG/3.160E+01    8.38E+34       -6.89    8499.0/                             ! fit btw. 500 and 1650 K with MAE of 6.9%, 16.2%
PLOG/1.000E+02    4.64E+30       -5.51    7330.0/                             ! fit btw. 500 and 1800 K with MAE of 8.5%, 19.5%
CH2COOCH2OOH=CH2COOHCH2OO                      +8.35000000E+010 -5.57000000E-001 +1.93347000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: C3H6OOH1-2O2<=>C3H6OOH2-1O2 
PLOG /                           +1.00000000E-002 +4.97000000E+032 -7.73000000E+000 +2.49489000E+004 /
PLOG /                           +1.00000000E-001 +7.45000000E+030 -7.03000000E+000 +2.50233000E+004 /
PLOG /                           +1.00000000E+000 +8.96000000E+026 -5.68000000E+000 +2.43057000E+004 /
PLOG /                           +1.00000000E+001 +3.25000000E+019 -3.28000000E+000 +2.21430000E+004 /
PLOG /                           +1.00000000E+002 +8.35000000E+010 -5.57000000E-001 +1.93347000E+004 /
!CH2COOCH2OOH<=>OH+CH2COOHCHO                         +1.95000000E+010 +1.54000000E-001 +2.56120000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: C3H6OOH1-2O2<=>OH+C3KET12 
!PLOG /                           +1.00000000E-002 +2.53000000E+040 -9.91000000E+000 +3.26314000E+004 /
!PLOG /                           +1.00000000E-001 +2.54000000E+037 -8.72000000E+000 +3.29095000E+004 /
!PLOG /                           +1.00000000E+000 +1.12000000E+031 -6.53000000E+000 +3.18066000E+004 /
!PLOG /                           +1.00000000E+001 +1.98000000E+021 -3.34000000E+000 +2.91378000E+004 /
!PLOG /                           +1.00000000E+002 +1.95000000E+010 +1.54000000E-001 +2.56120000E+004 /

CH2COOCH2OOH<=>OH+CH2COOHCHO    5.85E+10	1.54E-01	2.56E+04

CH2COOHCH2OO<=>OH+CH2COOHCHO                         +1.40000000E+016 -2.18000000E+000 +3.70962000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: C3H6OOH2-1O2<=>OH+C3KET12  
PLOG /                           +1.00000000E-002 +1.74000000E+040 -9.94000000E+000 +3.66527000E+004 /
PLOG /                           +1.00000000E-001 +1.98000000E+053 -1.41000000E+001 +4.25456000E+004 /
PLOG /                           +1.00000000E+000 +1.46000000E+053 -1.37000000E+001 +4.63238000E+004 /
PLOG /                           +1.00000000E+001 +1.08000000E+038 -8.90000000E+000 +4.33298000E+004 /
PLOG /                           +1.00000000E+002 +1.40000000E+016 -2.18000000E+000 +3.70962000E+004 /
!CH2COOHCHO=>CH2COCHO+OH                            +1.03000000E+031 -4.76000000E+000 +4.79219000E+004 !\Author: SP !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: C3KET12=>C2H4OCHO+OH 
!PLOG /                           +1.00000000E-002 +5.20000000E+064 -1.59000000E+001 +5.66501000E+004 /
!PLOG /                           +1.00000000E-001 +2.19000000E+060 -1.42000000E+001 +5.64797000E+004 /
!PLOG /                           +1.00000000E+000 +1.08000000E+052 -1.15000000E+001 +5.55804000E+004 /
!PLOG /                           +1.00000000E+001 +1.56000000E+041 -7.97000000E+000 +5.23210000E+004 /
!PLOG /                           +1.00000000E+002 +1.03000000E+031 -4.76000000E+000 +4.89219000E+004 /
!
CH2COOHCHO=>CH2COCHO+OH    3.09E+31	-4.76E+00	4.89E+04


CH2COCHO<=>HCO+CH2CO  2.9000000E+012 +3.8000000E-001 +1.1080000E+004  !2.12e+014  -0.141  1108.66 !\Author: SP !\Ref:!\Comment:C2H4OCHO<=>HCO+CH3CHO


!C3H4-A+HO2=CH2COOHCH2                            +1.04000000E+023 -3.25000000E+000 +2.02479000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: C3H6OOH2-1<=>HO2+C3H6 
!PLOG /                           +1.00000000E-002 +1.27000000E-080 +2.78000000E+001 -1.57525000E+004 /
!PLOG /                           +1.00000000E-001 +3.07000000E-068 +2.41000000E+001 -1.36247000E+004 /
!PLOG /                           +1.00000000E+000 +7.16000000E-048 +1.81000000E+001 -6.62037000E+003 /
!PLOG /                           +1.00000000E+001 +5.04000000E-023 +1.05000000E+001 +2.46501000E+003 /
!PLOG /                           +1.00000000E+002 +1.04000000E+023 -3.25000000E+000 +2.02479000E+004 /
!CH2COOHCH2<=>OH+C3H4O1-2                          +2.98000000E+018 -2.00000000E+000 +1.42508000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: C3H6OOH2-1<=>OH+C3H6O1-2  
!PLOG /                           +1.00000000E-002 +2.31000000E-006 +4.58000000E+000 +2.77470000E+003 /
!PLOG /                           +1.00000000E-001 +3.37000000E+000 +2.89000000E+000 +5.13002000E+003 /
!PLOG /                           +1.00000000E+000 +1.15000000E+009 +5.21000000E-001 +9.00753000E+003 /
!PLOG /                           +1.00000000E+001 +5.40000000E+016 -1.64000000E+000 +1.26945000E+004 /
!PLOG /                           +1.00000000E+002 +2.98000000E+018 -2.00000000E+000 +1.42508000E+004 /
!CH2COOHCH2+HO2=C3H5O32+OH                             +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: C3H5-A+HO2<=>C3H5O+OH  
!PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
!PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
!PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
!PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
!PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
!CH2COOHCH2+HO2=CH2COOHCH2OOH                            +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: C3H5-A+HO2<=>AC3H5OOH 
!PLOG /                           +1.00000000E-002 +1.91000000E+031 -7.23000000E+000 +1.33620000E+003 /
!PLOG /                           +1.00000000E-001 +6.31000000E+042 -1.03000000E+001 +5.56890000E+003 /
!PLOG /                           +1.00000000E+000 +1.03000000E+045 -1.06000000E+001 +7.85150000E+003 /
!PLOG /                           +1.00000000E+001 +2.79000000E+037 -7.92000000E+000 +6.49790000E+003 /
!PLOG /                           +1.00000000E+002 +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 /
!CH2COOHCH2+HO2=CH2COOHCHO+H2O                         +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: C3H5-A+HO2<=>C2H3CHO+H2O  
!PLOG /                           +1.00000000E-002 +1.09000000E+000 +3.01000000E+000 -3.42110000E+003 /
!PLOG /                           +1.00000000E-001 +6.35000000E+001 +2.50000000E+000 -2.34140000E+003 /
!PLOG /                           +1.00000000E+000 +6.05000000E+005 +1.39000000E+000 +5.95100000E+002 /
!PLOG /                           +1.00000000E+001 +3.10000000E+005 +1.59000000E+000 +2.67760000E+003 /
!PLOG /                           +1.00000000E+002 +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 /
CH2COOHCH2OOH<=>CH2COOHCHO+H2O                            +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: AC3H5OOH<=>C2H3CHO+H2O 
PLOG /                           +1.00000000E-002 +1.99000000E+050 -1.27000000E+001 +5.35319000E+004 /
PLOG /                           +1.00000000E-001 +4.72000000E+047 -1.15000000E+001 +5.43609000E+004 /
PLOG /                           +1.00000000E+000 +1.50000000E+040 -8.84000000E+000 +5.31792000E+004 /
PLOG /                           +1.00000000E+001 +2.54000000E+028 -5.00000000E+000 +4.99194000E+004 /
PLOG /                           +1.00000000E+002 +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 /
CH2COOHCH2OOH<=>C3H5O32+OH                               +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: decomp belongs to the allyl + HO2 mechanism.
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C3H5O32<=>CH2COOHCHO+H                                 +2.57000000E+020 -2.06000000E+000 +2.20401000E+004 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +3.00000000E+015 -2.31000000E+000 +1.46679000E+004 /
PLOG /                           +1.00000000E-002 +1.50000000E+022 -3.96000000E+000 +1.82830000E+004 /
PLOG /                           +1.00000000E-001 +1.95000000E+023 -3.99000000E+000 +1.91433000E+004 /
PLOG /                           +1.00000000E+000 +1.15000000E+025 -4.24000000E+000 +2.03112000E+004 /
PLOG /                           +1.00000000E+001 +1.76000000E+028 -4.89000000E+000 +2.27652000E+004 /
PLOG /                           +1.00000000E+002 +1.41000000E+027 -4.28000000E+000 +2.37706000E+004 /
PLOG /                           +1.00000000E+003 +2.57000000E+020 -2.06000000E+000 +2.20401000E+004 /

C3H5O31=>CH2COOHCHOH      1.76E+03	2.69E+00	21498 !\AUTHOR: sp !\REF: Lizardo-Huerta, J. C., et al. Physical Chemistry Chemical Physics 18.17 (2016): 12231-12251.!\COMMENT:TQJC3H6OH=>TQC3H5OHI
CH2COOHCHOH=>OH+C3H4O21-2     3.90E+12	2.00E-02 9532 !\AUTHOR: sp !\REF: Lizardo-Huerta, J. C., et al. Physical Chemistry Chemical Physics 18.17 (2016): 12231-12251.!\COMMENT:TQC3H5OHI=>CCY(COC)OH+OH 

C3H4O21-2+OH=>C2HCHO+OH+H2O                     +2.26000000E+003 +2.73000000E+000 -4.68800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: CCY(COC)OH+OH=>CH3CHCO+OH+H2O  
C3H4O21-2+HO2=>C2HCHO+OH+H2O2                   +8.60000000E+000 +3.46000000E+000 +9.73232600E+003 !\Author: WARNING !\Ref: WARNING !\Comment: CCY(COC)OH+HO2=>CH3CHCO+OH+H2O2 

C3H4O1-2+OH=>C3H2+OH+H2O                     +2.26000000E+003 +2.73000000E+000 -4.68800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: CCY(COC)OH+OH=>CH3CHCO+OH+H2O  
C3H4O1-2+HO2=>C3H2+OH+H2O2                   +8.60000000E+000 +3.46000000E+000 +9.73232600E+003 !\Author: WARNING !\Ref: WARNING !\Comment: CCY(COC)OH+HO2=>CH3CHCO+OH+H2O2 

!C3H4O1-2=CH2CO+CH2      4.20879E+24   -2.16   83229.0


C3H4O1-2=>C2H3CHO                                  +6.00000000E+073 -1.70000000E+001 +9.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H4O1-2=>CH3COCH                                 +2.60000000E+083 -2.00000000E+001 +1.00000000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!C3H4O1-2=CH3OCHCH2                                +1.00000000E+049 -1.00000000E+001 +8.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!C3H4O1-2=SC3H5OH                                  +2.20000000E+013 +0.00000000E+000 +6.01700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H4O1-2=>C2H4+CO                                 +2.45000000E+013 +0.00000000E+000 +5.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!C3H4O1-2=CH2+CH2CHO                               +2.45000000E+013 +0.00000000E+000 +5.88000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H4O1-2=>CH2+CH2CO                                +4.54000000E+013 +0.00000000E+000 +5.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 


!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C2H2+CH2(S)=C3H4-P                                +6.63000000E+007 +1.47500000E+000 -1.65100000E+003 !\Author: SP !\Ref: POLINO ET AL., J. PHYS. CHEM. A 2013, 117, 12677-12692 !\Comment: WARNING 
C2H+CH3<=>C3H4-P                                  +8.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: PITZ ESTIMATE !\Comment: P-DEP IS WRONG, PARTICULARLY ATLOW-P, THIS PATHWAY NOT TREATED IN P-DEPEND 
C3H4-A<=>C3H4-P                                   +4.78600000E+048 -1.00000000E+001 +8.86850000E+004 !\Author: SP !\Ref: MILLER AND KLIPPENSTEIN, J. PHYS. CHEM. A 2003, 107, 2680-2692 !\Comment: WARNING 
PLOG /                           +3.95000000E-002 +6.04000000E+053 -1.22000000E+001 +8.43000000E+004 /
PLOG /                           +1.00000000E+000 +7.76200000E+039 -7.80000000E+000 +7.84460000E+004 /
PLOG /                           +1.00000000E+001 +4.78600000E+048 -1.00000000E+001 +8.86850000E+004 /
CC3H4<=>C3H4-P                                    +1.66000000E+037 -7.24000000E+000 +4.80130000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +3.95000000E-002 +2.51200000E+050 -1.18200000E+001 +5.09140000E+004 /
PLOG /                           +1.00000000E+000 +1.23000000E+037 -7.51000000E+000 +4.55510000E+004 /
PLOG /                           +1.00000000E+001 +1.66000000E+037 -7.24000000E+000 +4.80130000E+004 /
CC3H4<=>C3H4-A                                    +5.01200000E+035 -6.87000000E+000 +5.12980000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +3.95000000E-002 +9.77200000E+043 -9.97000000E+000 +5.60070000E+004 /
PLOG /                           +1.00000000E+000 +2.51200000E+026 -4.56000000E+000 +4.39220000E+004 /
PLOG /                           +1.00000000E+001 +5.01200000E+035 -6.87000000E+000 +5.12980000E+004 /
C3H3+H<=>C3H4-A                      3.162E+29	-5	4711!\Author: SP !\Ref: Miller and Klippenstein, J. Phys. Chem. A 2003, 107, 2680-2692 !\Comment: WARNING!SP_
PLOG / 0.0395    3.388E+36	-7.41   6337 /
PLOG / 1.00      3.162E+29	-5.00   4711 /
PLOG / 10.0      8.710E+23	-3.2    3255 /
!
C3H3+H<=>C3H4-P                  7.943E+29	-5.06	4861!\Author: SP !\Ref: Miller and Klippenstein, J. Phys. Chem. A 2003, 107, 2680-2692 !\Comment: WARNING!SP_
PLOG / 0.0395		3.631E+36	-7.36	6039 /
PLOG / 1.00			7.943E+29	-5.06	4861 /
PLOG / 10.0			1.072E+24	-3.15	3261 /

C3H3+H<=>CC3H4                                    +3.23600000E+018 -2.05000000E+000 +2.05300000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +3.95000000E-002 +8.91300000E+112 -2.82600000E+001 +8.36110000E+004 /
PLOG /                           +1.00000000E+000 +1.07200000E+021 -2.95000000E+000 +2.68700000E+003 /
PLOG /                           +1.00000000E+001 +3.23600000E+018 -2.05000000E+000 +2.05300000E+003 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONCH2
!___________________________________________________________________________________________________________ 
C3H4-A+C2H<=>C2H2+C3H3                            +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C3H4-P+O2<=>C3H3+HO2                              +3.00000000E+013 +0.00000000E+000 +4.26000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H4-A+O2<=>C3H3+HO2                              +4.00000000E+013 +0.00000000E+000 +4.13200000E+004 !\Author: WARNING !\Ref: ANALOGY WITH CURRAN 2006 ALKYL DECOMP !\Comment: WARNING 
O2+C3H4-A=>CH2O+CH2CO                             +5.00000000E+013 +0.00000000E+000 +4.10000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
O2+C3H4-P=>HCO+CH3CO                              +2.00000000E+013 +0.00000000E+000 +4.10000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H4-P+H<=>C3H3+H2                                +2.86000000E+004 +2.82500000E+000 +4.82100000E+003 !\Author: WARNING !\Ref:MILLER ET AL., J. PHYS. CHEM. A, VOL. 112, NO. 39, 2008  !\Comment: WARNING 
!C3H4-P+HO2<=>C3H3+H2O2                            +1.78000000E+002 +3.56000000E+000 +1.57000000E+004 !\Author: SP !\Ref: ESTIMATE !\Comment: WARNING 
C3H4-P+HO2<=>C3H3+H2O2           1.70E-01	4.4	13547
C3H4-A+HO2<=>C3H3+H2O2                            +7.70000000E-002 +4.40300000E+000 +1.35472000E+004 !\Author: SP !\Ref: ANALOGHY TO C3H6+HO2 !\Comment: WARNING 
!C3H4-P+CH3<=>C3H3+CH4                             +1.00000000E+012 +0.00000000E+000 +7.70000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H4-P+CH3<=>C3H3+CH4       3.30E+01	3.24E+00	7.76E+03
C3H4-A+CH3<=>C3H3+CH4                             +4.40000000E+001 +3.24000000E+000 +7.76100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
2C3H4-A=>C2H4+C4H4                                +5.00000000E+011 +0.00000000E+000 +2.90000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
2C3H4-P=>C2H4+C4H4                                +5.00000000E+011 +0.00000000E+000 +2.90000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H4-P+CH3O2<=>C3H3+CH3O2H                        +7.71000000E-002 +4.40000000E+000 +1.35000000E+004 !\Author: WARNING !\Ref: DAGAUT, P. ET AL., CST 71, 111(1990). !\Comment: WARNING 
C3H4-P+C2H<=>C2H2+C3H3                            +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C3H4-P+C2H3<=>C3H3+C2H4                           +4.80000000E+002 +3.09000000E+000 +3.60000000E+003 !\Author: SP !\Ref: RAMAN, CARSTENSEN, INT J CHEM KINET 44.5(2012) !\Comment: WARNING 
!C3H4-P+C3H5-A<=>C3H3+C3H6                         +3.16000000E+002 +3.22400000E+000 +1.74020000E+004 !\Author: SP !\Ref: CBS-QB3, KUN 01-20-2014, KUN WANG !\Comment: WARNING 
C3H4-P+C3H5-A<=>C3H3+C3H6   6.32E+02	3.22E+00	1.64E+04
C3H4-A+H<=>C3H3+H2                                +6.62500000E+003 +3.09500000E+000 +5.52200000E+003 !\Author: SP !\Ref: MILLER ET AL., J. PHYS. CHEM. A, VOL. 112, NO. 39, 2008 !\Comment: WARNING 
C3H4-A+OH<=>C3H3+H2O                              +5.05000000E+005 +2.36000000E+000 +2.87900000E+003 !\Author: SP !\Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
DUP
C3H4-A+OH<=>C3H3+H2O                              +5.95000000E+004 +2.50000000E+000 +6.61100000E+002 !\Author: SP !\Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
DUP
C3H4-P+OH<=>C3H3+H2O                              +3.87000000E+005 +2.34000000E+000 +2.17300000E+003 !\Author: SP !\Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
DUP
C3H4-P+OH<=>C3H3+H2O                              +4.93000000E+004 +2.48000000E+000 -6.20000000E+001 !\Author: SP !\Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
DUP
C3H4-A+CH3=C2H3+C2H4                              +2.69000000E+038 -7.29800000E+000 +4.27390000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.17000000E+014 -7.48000000E-001 +1.73560000E+004 /
PLOG /                           +1.00000000E-002 +3.48000000E+012 -3.13000000E-001 +1.65270000E+004 /
PLOG /                           +1.00000000E-001 +2.73000000E+017 -1.69800000E+000 +1.97910000E+004 /
PLOG /                           +1.00000000E+000 +3.93000000E+025 -3.97500000E+000 +2.60340000E+004 /
PLOG /                           +1.00000000E+001 +4.04000000E+033 -6.14000000E+000 +3.40230000E+004 /
PLOG /                           +1.00000000E+002 +2.69000000E+038 -7.29800000E+000 +4.27390000E+004 /
C3H4-A+CH3O2=C3H3+CH3O2H                          +7.70000000E-002 +4.40000000E+000 +1.38000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!C3H4-A+C3H5-A<=>C3H3+C3H6                         +8.40000000E+002 +3.22400000E+000 +1.74020000E+004 !\Author: SP !\Ref: LLNL, RATE MODIFIED, USED RATE FROM C4H8-1+C3H5-A AND REDICED IT BY FACTOR OF 8 !\Comment: WARNING 
C3H4-A+C3H5-A<=>C3H3+C3H6                       8.40E+02	3.22E+00	1.44E+04
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONH
!___________________________________________________________________________________________________________ 
C3H4-A+H=C3H4-P+H                                 +1.02000000E+024 -2.67000000E+000 +1.55520000E+004 !\Author: WARNING !\Ref: MILLER ET AL. J. PHYS. CHEM. A 2008, 112, 9429-9438 !\Comment:
PLOG /  1.00E-03  8.49E+10    0.890    2503 / 
PLOG /  3.90E-02  1.48E+13    0.260    4103 / 
PLOG /  1.00E+00  2.48E+15   -0.330    6436 / 
PLOG /  1.00E+01  2.35E+25   -3.230   13165 / 
PLOG /  1.00E+01  1.79E+07    1.980    4521 / 
PLOG /  1.00E+02  1.02E+24   -2.670   15552 / 
PLOG /  1.00E+02  4.63E+04    2.620    4466 / 

C3H4-A+H=C3H5-A                                   +4.23000000E+043 -8.61000000E+000 +2.25220000E+004 !\Author: WARNING !\Ref: MILLER ET AL. J. PHYS. CHEM. A 2008, 112, 9429-9438 !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +2.21000000E+061 -1.52500000E+001 +2.00760000E+004 /
PLOG /                           +1.00000000E-003 +2.80000000E+038 -8.67000000E+000 +8.03500000E+003 /
PLOG /                           +3.90000000E-002 +1.24000000E+052 -1.20200000E+001 +1.78390000E+004 /
PLOG /                           +3.90000000E-002 +9.33000000E+036 -8.19000000E+000 +7.46200000E+003 /
PLOG /                           +1.00000000E+000 +4.67000000E+051 -1.14500000E+001 +2.13400000E+004 /
PLOG /                           +1.00000000E+000 +3.32000000E+030 -5.78000000E+000 +6.91300000E+003 /
PLOG /                           +1.00000000E+001 +3.75000000E+048 -1.02700000E+001 +2.25110000E+004 /
PLOG /                           +1.00000000E+001 +2.29000000E+026 -4.32000000E+000 +6.16300000E+003 /
PLOG /                           +1.00000000E+002 +4.23000000E+043 -8.61000000E+000 +2.25220000E+004 /
PLOG /                           +1.00000000E+002 +4.38000000E+021 -2.71000000E+000 +5.18700000E+003 /
!
C3H4-A+H=C3H5-S                                   +3.20000000E+031 -5.88000000E+000 +2.15000000E+004 !\Author: WARNING !\Ref: DAVIS AND LAW J. PHYS. CHEM. A 1999, 103, 5889-589 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +1.10000000E+030 -6.52000000E+000 +1.52000000E+004 /
PLOG /                           +1.00000000E+000 +5.40000000E+029 -6.09000000E+000 +1.63000000E+004 /
PLOG /                           +1.00000000E+001 +2.60000000E+031 -6.23000000E+000 +1.87000000E+004 /
PLOG /                           +1.00000000E+002 +3.20000000E+031 -5.88000000E+000 +2.15000000E+004 /
C3H4-A+H=C3H5-T                                   +4.22000000E+052 -1.16400000E+001 +2.22620000E+004 !\Author: WARNING !\Ref: MILLER ET AL. J. PHYS. CHEM. A 2008, 112, 9429-9438 !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +6.44000000E+102 -2.75100000E+001 +5.17680000E+004 /
PLOG /                           +1.00000000E-003 +1.10000000E+054 -1.42900000E+001 +1.08090000E+004 /
PLOG /                           +3.90000000E-002 +1.55000000E+053 -1.31000000E+001 +1.44720000E+004 /
PLOG /                           +3.90000000E-002 +9.88000000E+044 -1.12100000E+001 +8.21200000E+003 /
PLOG /                           +1.00000000E+000 +1.90000000E+053 -1.25900000E+001 +1.67260000E+004 /
PLOG /                           +1.00000000E+000 +2.82000000E+040 -9.42000000E+000 +7.85000000E+003 /
PLOG /                           +1.00000000E+001 +7.96000000E+051 -1.18200000E+001 +1.82860000E+004 /
PLOG /                           +1.00000000E+001 +2.60000000E+035 -7.57000000E+000 +7.14700000E+003 /
PLOG /                           +1.00000000E+002 +4.22000000E+052 -1.16400000E+001 +2.22620000E+004 /
PLOG /                           +1.00000000E+002 +9.88000000E+029 -5.53000000E+000 +6.58100000E+003 /
C3H4-A+H=CH3+C2H2                                 +1.37000000E+017 -7.90000000E-001 +1.76030000E+004 !\Author: WARNING !\Ref: MILLER ET AL. J. PHYS. CHEM. A 2008, 112, 9429-9438 !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.23000000E+008 +1.53000000E+000 +4.73700000E+003 /
PLOG /                           +3.90000000E-002 +2.72000000E+009 +1.20000000E+000 +6.83400000E+003 /
PLOG /                           +1.00000000E+000 +1.26000000E+020 -1.83000000E+000 +1.50030000E+004 /
PLOG /                           +1.00000000E+000 +1.23000000E+004 +2.68000000E+000 +6.33500000E+003 /
PLOG /                           +1.00000000E+001 +1.68000000E+016 -6.00000000E-001 +1.47540000E+004 /
PLOG /                           +1.00000000E+001 +3.31000000E+008 +1.14000000E+000 +8.88600000E+003 /
PLOG /                           +1.00000000E+002 +1.37000000E+017 -7.90000000E-001 +1.76030000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+006 +1.71000000E+000 +9.77400000E+003 /
C3H4-P+H=C3H5-T                                   +4.51000000E+052 -1.15800000E+001 +2.22070000E+004 !\Author: WARNING !\Ref: MILLER ET AL. J. PHYS. CHEM. A 2008, 112, 9429-9438 !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +8.85000000E+051 -1.30400000E+001 +1.23250000E+004 /
PLOG /                           +1.00000000E-003 +1.97000000E+046 -1.19100000E+001 +7.45600000E+003 /
PLOG /                           +3.90000000E-002 +3.17000000E+052 -1.26900000E+001 +1.42260000E+004 /
PLOG /                           +3.90000000E-002 +2.59000000E+045 -1.12300000E+001 +8.04600000E+003 /
PLOG /                           +1.00000000E+000 +2.87000000E+053 -1.25100000E+001 +1.68530000E+004 /
PLOG /                           +1.00000000E+000 +6.93000000E+039 -9.11000000E+000 +7.45800000E+003 /
PLOG /                           +1.00000000E+001 +9.51000000E+051 -1.17400000E+001 +1.83310000E+004 /
PLOG /                           +1.00000000E+001 +6.80000000E+034 -7.29000000E+000 +6.72200000E+003 /
PLOG /                           +1.00000000E+002 +4.51000000E+052 -1.15800000E+001 +2.22070000E+004 /
PLOG /                           +1.00000000E+002 +5.65000000E+029 -5.39000000E+000 +6.15000000E+003 /
C3H4-P+H=C3H5-S                                   +2.17000000E+049 -1.11000000E+001 +1.87460000E+004 !\Author: WARNING !\Ref: MILLER ET AL. J. PHYS. CHEM. A 2008, 112, 9429-9438 !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.23000000E+032 -8.40758000E+000 +6.76000000E+003 /
PLOG /                           +3.90000000E-002 +3.38000000E+049 -1.27500000E+001 +1.40720000E+004 /
PLOG /                           +3.90000000E-002 +2.98000000E+043 -1.14300000E+001 +8.73600000E+003 /
PLOG /                           +1.00000000E+000 +1.37000000E+051 -1.25500000E+001 +1.54280000E+004 /
PLOG /                           +1.00000000E+000 +5.75000000E+039 -9.51000000E+000 +8.77200000E+003 /
PLOG /                           +1.00000000E+001 +3.88000000E+050 -1.19000000E+001 +1.69150000E+004 /
PLOG /                           +1.00000000E+001 +4.33000000E+040 -9.60000000E+000 +9.40100000E+003 /
PLOG /                           +1.00000000E+002 +2.17000000E+049 -1.11000000E+001 +1.87460000E+004 /
PLOG /                           +1.00000000E+002 +3.44000000E+034 -7.36000000E+000 +8.55800000E+003 /
C3H4-P+H=CH3+C2H2                                 +1.90000000E+015 -2.90000000E-001 +8.31000000E+003 !\Author: WARNING !\Ref: MILLER ET AL. J. PHYS. CHEM. A 2008, 112, 9429-9438 ! ! !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +2.44000000E+010 +1.04000000E+000 +3.98000000E+003 /
PLOG /                           +3.90000000E-002 +3.90000000E+010 +9.89000000E-001 +4.11000000E+003 /
PLOG /                           +1.00000000E+000 +3.46000000E+012 +4.42000000E-001 +5.46000000E+003 /
PLOG /                           +1.00000000E+001 +1.72000000E+014 -1.00000000E-002 +7.13000000E+003 /
PLOG /                           +1.00000000E+002 +1.90000000E+015 -2.90000000E-001 +8.31000000E+003 /
C3H5-A=C3H5-T                                     +2.80000000E+043 -9.27000000E+000 +7.40000000E+004 !\Author: WARNING !\Ref: DAVIS AND LAW J. PHYS. CHEM. A 1999, 103, 5889-589 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +3.90000000E+059 -1.54200000E+001 +7.54000000E+004 /
PLOG /                           +1.00000000E+000 +7.06000000E+056 -1.40800000E+001 +7.58680000E+004 /
PLOG /                           +2.00000000E+000 +4.80000000E+055 -1.35900000E+001 +7.59490000E+004 /
PLOG /                           +5.00000000E+000 +4.86000000E+053 -1.28100000E+001 +7.58830000E+004 /
PLOG /                           +1.00000000E+001 +6.40000000E+051 -1.21200000E+001 +7.57000000E+004 /
PLOG /                           +1.00000000E+002 +2.80000000E+043 -9.27000000E+000 +7.40000000E+004 /
C3H5-A=C3H5-S                                     +4.86000000E+044 -9.84000000E+000 +7.34000000E+004 !\Author: WARNING !\Ref: DAVIS AND LAW J. PHYS. CHEM. A 1999, 103, 5889-589 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +1.30000000E+055 -1.45300000E+001 +7.38000000E+004 /
PLOG /                           +1.00000000E+000 +5.00000000E+051 -1.30200000E+001 +7.33000000E+004 /
PLOG /                           +1.00000000E+001 +9.70000000E+048 -1.17300000E+001 +7.37000000E+004 /
PLOG /                           +1.00000000E+002 +4.86000000E+044 -9.84000000E+000 +7.34000000E+004 /
C2H2+CH3=C3H5-T                                   +3.80000000E+036 -7.58000000E+000 +3.13000000E+004 !\Author: WARNING !\Ref: MILLER ET AL. J. PHYS. CHEM. A 2008, 112, 9429-9438 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +6.80000000E+020 -4.16000000E+000 +1.80000000E+004 /
PLOG /                           +1.00000000E+000 +4.99000000E+022 -4.39000000E+000 +1.88500000E+004 /
PLOG /                           +2.00000000E+000 +6.00000000E+023 -4.60000000E+000 +1.95710000E+004 /
PLOG /                           +5.00000000E+000 +7.31000000E+025 -5.06000000E+000 +2.11500000E+004 /
PLOG /                           +1.00000000E+001 +9.30000000E+027 -5.55000000E+000 +2.29000000E+004 /
PLOG /                           +1.00000000E+002 +3.80000000E+036 -7.58000000E+000 +3.13000000E+004 /
C3H5-T=C3H5-S                                     +5.80000000E+051 -1.24300000E+001 +5.92000000E+004 !\Author: WARNING !\Ref: MILLER ET AL. J. PHYS. CHEM. A 2008, 112, 9429-9438 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +1.60000000E+044 -1.21600000E+001 +5.22000000E+004 /
PLOG /                           +1.00000000E+000 +1.50000000E+048 -1.27100000E+001 +5.39000000E+004 /
PLOG /                           +1.00000000E+001 +5.10000000E+052 -1.33700000E+001 +5.72000000E+004 /
PLOG /                           +1.00000000E+002 +5.80000000E+051 -1.24300000E+001 +5.92000000E+004 /
C2H2+CH3=C3H5-A                                   +3.80000000E+044 -9.63000000E+000 +3.76000000E+004 !\Author: WARNING !\Ref: MILLER ET AL. J. PHYS. CHEM. A 2008, 112, 9429-9438 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +8.20000000E+053 -1.33200000E+001 +3.32000000E+004 /
PLOG /                           +1.00000000E+000 +2.68000000E+053 -1.28200000E+001 +3.57300000E+004 /
PLOG /                           +2.00000000E+000 +3.64000000E+052 -1.24600000E+001 +3.61270000E+004 /
PLOG /                           +5.00000000E+000 +1.04000000E+051 -1.18900000E+001 +3.64760000E+004 /
PLOG /                           +1.00000000E+001 +4.40000000E+049 -1.14000000E+001 +3.67000000E+004 /
PLOG /                           +1.00000000E+002 +3.80000000E+044 -9.63000000E+000 +3.76000000E+004 /
CH3+C2H2=C3H5-S                                   +1.42000000E+042 -8.91000000E+000 +2.22350000E+004 !\Author: WARNING !\Ref: MILLER ET AL. J. PHYS. CHEM. A 2008, 112, 9429-9438 !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.78000000E+042 -1.04000000E+001 +1.36470000E+004 /
PLOG /                           +3.90000000E-002 +4.32000000E+037 -8.79000000E+000 +1.35940000E+004 /
PLOG /                           +1.00000000E+000 +1.19000000E+044 -1.01900000E+001 +1.87280000E+004 /
PLOG /                           +1.00000000E+000 +8.49000000E+035 -8.43000000E+000 +1.23560000E+004 /
PLOG /                           +1.00000000E+001 +6.02000000E+043 -9.74000000E+000 +2.05610000E+004 /
PLOG /                           +1.00000000E+001 +3.04000000E+032 -7.01000000E+000 +1.23570000E+004 /
PLOG /                           +1.00000000E+002 +1.42000000E+042 -8.91000000E+000 +2.22350000E+004 /
PLOG /                           +1.00000000E+002 +1.69000000E+027 -5.07000000E+000 +1.16900000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R_ADDITIONO
!___________________________________________________________________________________________________________ 

!C3H4-P+O<=>CH3+HCCO                                   +7.39500000E+008 +1.28000000E+000 +2.47200000E+003 !\Author: SP !\Ref: NGUYEN ET AL. J.PHYS.CHEM A 2006, 110, 6696-6706 !\Comment: WARNING 
!C3H4-P+O<=>C3H3O+H                                   +2.95800000E+009 +1.28000000E+000 +2.47200000E+003 !\Author: SP !\Ref: NGUYEN ET AL. J.PHYS.CHEM A 2006, 110, 6696-6706 !\Comment: WARNING 

!C3H4-P+O<=>C3H3+OH                                +7.58000000E+011 +4.80000000E-002 +3.55000000E+003!\Author: SP !\Ref: GIMONDI, CAVALLOTTI, VANUZZO, BALUCANI, CASAVECCHIA, J. PHYS. CHEM. A 2016, 120, 4619-4633 !\Comment: WARNING 
!C3H4-P+O<=>C2H3+HCO                               2.40000000E+012 -1.20000000E-002 +1.95000000E+003 !\Author: SP !\Ref: GIMONDI, CAVALLOTTI, VANUZZO, BALUCANI, CASAVECCHIA, J. PHYS. CHEM. A 2016, 120, 4619-4633 !\Comment: WARNING 
!C3H4-P+O<=>C2H4+CO                                +2.95000000E+014 -5.87000000E-001 +2.22000000E+003 !\Author: SP !\Ref: GIMONDI, CAVALLOTTI, VANUZZO, BALUCANI, CASAVECCHIA, J. PHYS. CHEM. A 2016, 120, 4619-4633 !\Comment: WARNING 
!C3H4-P+O=>C2H2+CO+H2                              +8.45000000E+022 -3.54000000E+000 +5.02000000E+003 !\Author: SP !\Ref: GIMONDI, CAVALLOTTI, VANUZZO, BALUCANI, CASAVECCHIA, J. PHYS. CHEM. A 2016, 120, 4619-4633 !\Comment: WARNING 
!C3H4-P+O<=>CH3+HCCO                               +3.80E+06	1.89E+00	1.54E+03!\Author: SP !\Ref: GIMONDI, CAVALLOTTI, VANUZZO, BALUCANI, CASAVECCHIA, J. PHYS. CHEM. A 2016, 120, 4619-4633 !\Comment: WARNING 
!C3H4-P+O<=>CH3CCO+H                                +1.80E+10	9.01E-01	2.17E+03!\Author: SP !\Ref: GIMONDI, CAVALLOTTI, VANUZZO, BALUCANI, CASAVECCHIA, J. PHYS. CHEM. A 2016, 120, 4619-4633 !\Comment: 1.5*a CH3+HCCO 

C3H4-P+O<=>C3H3+OH                                +1.44000000E+015 -8.20000000E-001 +7.67000000E+003 !\Author: SP !\Ref: GIMONDI, CAVALLOTTI, VANUZZO, BALUCANI, CASAVECCHIA, J. PHYS. CHEM. A 2016, 120, 4619-4633 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +1.90000000E+011 +2.05000000E-001 +3.14000000E+003 /
PLOG /                           +1.00000000E+000 +7.58000000E+011 +4.80000000E-002 +3.55000000E+003 /
PLOG /                           +1.00000000E+001 +2.40000000E+012 -6.60000000E-002 +5.02000000E+003 /
PLOG /                           +3.00000000E+001 +1.44000000E+015 -8.20000000E-001 +7.67000000E+003 /
C3H4-P+O<=>C2H3+HCO                               +2.40000000E+013 -2.19000000E-001 +4.26000000E+003 !\Author: SP !\Ref: GIMONDI, CAVALLOTTI, VANUZZO, BALUCANI, CASAVECCHIA, J. PHYS. CHEM. A 2016, 120, 4619-4633 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +1.20000000E+012 +9.00000000E-002 +1.77000000E+003 /
PLOG /                           +1.00000000E+000 +2.40000000E+012 -1.20000000E-002 +1.95000000E+003 /
PLOG /                           +1.00000000E+001 +1.20000000E+012 +1.29000000E-001 +2.83000000E+003 /
PLOG /                           +3.00000000E+001 +2.40000000E+013 -2.19000000E-001 +4.26000000E+003 /
C3H4-P+O<=>C2H4+CO                                +1.51000000E+012 +1.35000000E-001 +2.50000000E+003 !\Author: SP !\Ref: GIMONDI, CAVALLOTTI, VANUZZO, BALUCANI, CASAVECCHIA, J. PHYS. CHEM. A 2016, 120, 4619-4633 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +2.09000000E+014 -5.43000000E-001 +2.17000000E+003 /
PLOG /                           +1.00000000E+000 +2.95000000E+014 -5.87000000E-001 +2.22000000E+003 /
PLOG /                           +1.00000000E+001 +9.54000000E+013 -4.27000000E-001 +2.37000000E+003 /
PLOG /                           +3.00000000E+001 +1.51000000E+012 +1.35000000E-001 +2.50000000E+003 /
C3H4-P+O=>C2H2+CO+H2                              +4.78000000E+019 -2.51000000E+000 +5.95000000E+003 !\Author: SP !\Ref: GIMONDI, CAVALLOTTI, VANUZZO, BALUCANI, CASAVECCHIA, J. PHYS. CHEM. A 2016, 120, 4619-4633 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +8.11000000E+022 -3.54000000E+000 +5.00000000E+003 /
PLOG /                           +1.00000000E+000 +8.45000000E+022 -3.54000000E+000 +5.02000000E+003 /
PLOG /                           +1.00000000E+001 +5.37000000E+021 -3.13000000E+000 +5.72000000E+003 /
PLOG /                           +3.00000000E+001 +4.78000000E+019 -2.51000000E+000 +5.95000000E+003 /
C3H4-P+O<=>CH3+HCCO                               +6.02000000E+008 +1.26000000E+000 +1.63000000E+003 !\Author: SP !\Ref: GIMONDI, CAVALLOTTI, VANUZZO, BALUCANI, CASAVECCHIA, J. PHYS. CHEM. A 2016, 120, 4619-4633 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +1.20000000E+010 +8.87000000E-001 +2.23000000E+003 /
PLOG /                           +1.00000000E+000 +1.20000000E+010 +9.01000000E-001 +2.17000000E+003 /
PLOG /                           +1.00000000E+001 +9.54000000E+009 +9.36000000E-001 +2.15000000E+003 /
PLOG /                           +3.00000000E+001 +6.02000000E+008 +1.26000000E+000 +1.63000000E+003 /
C3H4-P+O<=>C2H3CHO                                +3.16000000E+031 -6.00000000E+000 +7.71000000E+003 !\Author: SP !\Ref: GIMONDI, CAVALLOTTI, VANUZZO, BALUCANI, CASAVECCHIA, J. PHYS. CHEM. A 2016, 120, 4619-4633 !\Comment: WARNING 
PLOG /                           +1.00000000E+000 +4.78000000E+044 -1.11000000E+001 +1.18000000E+004 /
PLOG /                           +1.00000000E+001 +8.91000000E+032 -6.69000000E+000 +7.51000000E+003 /
PLOG /                           +3.00000000E+001 +3.16000000E+031 -6.00000000E+000 +7.71000000E+003 /
C3H4-P+O<=>CH3CHCO                                +1.17000000E+029 -5.29000000E+000 +6.90000000E+003 !\Author: SP !\Ref: GIMONDI, CAVALLOTTI, VANUZZO, BALUCANI, CASAVECCHIA, J. PHYS. CHEM. A 2016, 120, 4619-4633 !\Comment: WARNING 
PLOG /                           +1.00000000E+000 +5.01000000E+029 -6.21000000E+000 +6.32000000E+003 /
PLOG /                           +1.00000000E+001 +4.78000000E+035 -7.52000000E+000 +8.28000000E+003 /
PLOG /                           +3.00000000E+001 +1.17000000E+029 -5.29000000E+000 +6.90000000E+003 /
C3H4-P+O<=>CH3CCO+H                               +6.02000000E+009 +9.96000000E-001 +3.57000000E+003 !\Author: SP !\Ref: GIMONDI, CAVALLOTTI, VANUZZO, BALUCANI, CASAVECCHIA, J. PHYS. CHEM. A 2016, 120, 4619-4633 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +3.80000000E+010 +7.12000000E-001 +2.89000000E+003 /
PLOG /                           +1.00000000E+000 +1.90000000E+010 +8.03000000E-001 +2.85000000E+003 /
PLOG /                           +1.00000000E+001 +3.02000000E+010 +7.73000000E-001 +3.33000000E+003 /
PLOG /                           +3.00000000E+001 +6.02000000E+009 +9.96000000E-001 +3.57000000E+003 /
C3H4-P+O<=>C3H3O+H                                +3.80000000E+008 +1.26000000E+000 +5.22000000E+003 !\Author: SP !\Ref: GIMONDI, CAVALLOTTI, VANUZZO, BALUCANI, CASAVECCHIA, J. PHYS. CHEM. A 2016, 120, 4619-4633 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +7.58000000E+006 +1.71000000E+000 +2.95000000E+003 /
PLOG /                           +1.00000000E+000 +1.90000000E+006 +1.89000000E+000 +2.74000000E+003 /
PLOG /                           +1.00000000E+001 +6.02000000E+006 +1.75000000E+000 +3.49000000E+003 /
PLOG /                           +3.00000000E+001 +3.80000000E+008 +1.26000000E+000 +5.22000000E+003 /
C3H4-P+O<=>C2H3CO+H                               +3.02000000E+006 +1.81000000E+000 +4.31000000E+003 !\Author: SP !\Ref: GIMONDI, CAVALLOTTI, VANUZZO, BALUCANI, CASAVECCHIA, J. PHYS. CHEM. A 2016, 120, 4619-4633 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +1.51000000E+008 +1.30000000E+000 +4.02000000E+003 /
PLOG /                           +1.00000000E+000 +1.51000000E+005 +2.16000000E+000 +2.34000000E+003 /
PLOG /                           +1.00000000E+001 +1.20000000E+006 +1.92000000E+000 +3.31000000E+003 /
PLOG /                           +3.00000000E+001 +3.02000000E+006 +1.81000000E+000 +4.31000000E+003 /

CH3CCO+O2=>CH2CO2+CO+H                            +9.78000000E+012 -1.42000000E-001 +1.15000000E+003 !\Author: UB !\Ref: S.J. KLIPPENSTEIN ET AL. PROC. COMBUST. INST. 29(2002) 1209-1217 !\Comment: HCCO+O2=>CO2+CO+H 2*A
CH3CCO+O2=>CH3CO+CO+O                             +2.18000000E+002 +2.69200000E+000 +3.54100000E+003 !\Author: UB !\Ref: S.J. KLIPPENSTEIN ET AL. PROC. COMBUST. INST. 29(2002) 1209-1217 !\Comment: HCCO+O2=>HCO+CO+O 
!CH3CCO+OH<=>CO+CH3COH                             +1.50000000E+014 -5.75000000E-002 +2.60770000E+002 !\Author: UB !\Ref: REFIT OF XIONG ET AL COMBUST. FLAME, 161(2014) 885-897 !\Comment: HCCO+OH<=>CO+HCOH 
CH3CCO+OH=CH2O+CH2CO		1.0		0.0		0.0
PLOG / 1               1.187E+21   -2.459   2527.6    /
PLOG / 100          1.100E+08   0.110     52.0   /
CH3CCO+OH=>H+CO+CH2CO+H	  2.638E+08	1.410	849	
CH3CCO+O2=>OH+CO+CH2CO                                 +1.91000000E+011 -2.00000000E-002 +1.02000000E+003 !HCCO+O2=>OH+CO+CO
CH3CCO+O=>H+CO+CH2CO                                   +8.00000000E+013 +0.00000000E+000 +0.00000000E+000!HCCO+O=>H+CO+CO

CH3COH+O2=>CO2+CH3+OH                             +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: MARINOV 1996 !\Comment: WARNING 
CH3COH+O2=>CO2+CH2+H2O                             +3.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: MARINOV 1996 !\Comment: WARNING 
CH3COH+O=>CO2+H+CH3                               +5.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: MARINOV 1996 !\Comment: WARNING 
CH3COH+O=>CO+OH+CH3                               +3.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: MARINOV 1996 !\Comment: WARNING 
CH3COH+H=>CH2O+CH2+H                               +2.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: MARINOV 1996 !\Comment: WARNING 
CH3COH+OH<=>CH3CO+H2O                             +2.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: MARINOV 1996 !\Comment: WARNING 


!C3H4-A+O<=>C3H3+OH                                +5.24000000E+011 +7.00000000E-001 +5.88000000E+003 !\Author: SP !\Ref: LLNL !\Comment: OLD RATE IN ARAMCO2.0 IS MIGHT HIGHER THAN C4H8-1+C3H5-A 
!C3H4-A+O=C2H4+CO                                  +6.24000000E+006 +2.05000000E+000 +1.80000000E+002 !\Author: SP !\Ref: LLNL !\Comment: BASED ON INFROMATION FROM VANUZZO ET AL., AND NGUYEN( J. PHYS. CHEM. A, VOL. 110, NO. 44, 2006) 
!C3H4-A+O<=>C3H4O1-2                               +2.97752000E+043 -9.64171310E+000 +1.22209680E+004 !\Author: YS TEST NEW CHANNLES BY ANALOGY TO PROPENE !\Ref: CAVALLOTTI ET. AL., J. PHYS. CHEM. LETT. 2014, 5, 4213-4218, LEONORI ET AL. J. PHYS. CHEM. C 2015, 119, 14632-14652 !\Comment: WARNING 
!PLOG /                           +1.00000000E-001 +2.67927380E+005 +5.48980180E-001 -7.05266310E+003 /
!PLOG /                           +1.00000000E+000 +4.51272000E+027 -5.67629340E+000 +1.48748510E+003 /
!PLOG /                           +1.00000000E+001 +2.31657000E+051 -1.22351440E+001 +1.46820280E+004 /
!PLOG /                           +3.00000000E+001 +2.02009000E+048 -1.11726390E+001 +1.40832670E+004 /
!PLOG /                           +1.00000000E+002 +2.97752000E+043 -9.64171310E+000 +1.22209680E+004 /
!C3H4-A+O<=>CH3CCO+H                               +2.95800000E+009 +1.28000000E+000 +2.47200000E+003 !\Author: SP !\Ref: NGUYEN ET AL. J.PHYS.CHEM A 2006, 110, 6696-6706 !\Comment: C2H2+O<=>HCCO+H 

C3H4-A+O<=>C3H3O+H                               +3.85E+06	2.05E+00	1.80E+02 !\Author: SP !\Ref: Nguyen, Peeters, and Vereecken, J. Phys. Chem. A 2006, 110, 12166-12176!\Comment: 40% BR TO TERMINAL ATTACK
C3H4-A+O<=>CH2+CH2CO                              +3.85E+06	2.05E+00	1.80E+02!\Author: SP !\Ref: Nguyen, Peeters, and Vereecken, J. Phys. Chem. A 2006, 110, 12166-12176!\Comment: 40% BR TO CENTRAL ATTACK
C3H4-A+O<=>C3H3+OH                       1.93E+06	2.05E+00	1.80E+02!\Author: SP !\Ref: Nguyen, Peeters, and Vereecken, J. Phys. Chem. A 2006, 110, 12166-12176!\Comment: 20% BR to H-ABSTRACTION

C3H4-P+HCO<=>C3H5-A+CO                            +1.00000000E+007 +2.00000000E+000 +6.00000000E+003 !\Author: WARNING !\Ref: GRI 3.0 AND USC II !\Comment: C2H2+HCO<=>C2H3+CO 
C3H4-A+HCO<=>C3H5-A+CO                            +1.00000000E+007 +2.00000000E+000 +6.00000000E+003 !\Author: WARNING !\Ref: GRI 3.0 AND USC II !\Comment: C2H2+HCO<=>C2H3+CO 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONOH
!___________________________________________________________________________________________________________ 
C3H4-A+OH<=>CH2CCH2OH                             +5.73000000E+032 -5.83000000E+000 +1.27400000E+004 !\Author: SP !\Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
!PLOG /                           +9.86900000E-004 +3.13000000E+064 -1.73300000E+001 +1.52200000E+004 /
!PLOG /                           +9.86900000E-004 +8.44000000E+037 -9.10000000E+000 +4.18000000E+003 /
!PLOG /                           +9.86900000E-003 +9.71000000E+054 -1.39100000E+001 +1.31500000E+004 /
!PLOG /                           +9.86900000E-003 +1.75000000E+035 -7.98000000E+000 +4.06800000E+003 /
!PLOG /                           +9.86900000E-002 +4.59000000E+047 -1.12200000E+001 +1.20700000E+004 /
!PLOG /                           +9.86900000E-002 +1.61000000E+035 -7.87000000E+000 +4.35300000E+003 /
!PLOG /                           +1.31300000E-001 +2.47000000E+047 -1.10900000E+001 +1.22300000E+004 /
!PLOG /                           +1.31300000E-001 +4.59000000E+034 -7.66000000E+000 +4.28800000E+003 /
!PLOG /                           +9.86900000E-001 +2.59000000E+044 -9.87000000E+000 +1.29700000E+004 /
!PLOG /                           +9.86900000E-001 +4.77000000E+029 -5.88000000E+000 +3.47700000E+003 /
!PLOG /                           +9.86900000E+000 +3.26000000E+039 -8.08000000E+000 +1.33600000E+004 /
!PLOG /                           +9.86900000E+000 +5.00000000E+022 -3.47000000E+000 +2.10900000E+003 /
!PLOG /                           +9.86900000E+001 +5.73000000E+032 -5.83000000E+000 +1.27400000E+004 /
!PLOG /                           +9.86900000E+001 +3.60000000E+016 -1.38000000E+000 +7.80200000E+002 /

PLOG	/	9.87E-04	6.26E+64	-1.73E+01	1.52E+04	/
PLOG	/	9.87E-04	1.69E+38	-9.10E+00	4.18E+03	/
PLOG	/	9.87E-03	1.94E+55	-1.39E+01	1.32E+04	/
PLOG	/	9.87E-03	3.50E+35	-7.98E+00	4.07E+03	/
PLOG	/	9.87E-02	9.18E+47	-1.12E+01	1.21E+04	/
PLOG	/	9.87E-02	3.22E+35	-7.87E+00	4.35E+03	/
PLOG	/	1.31E-01	4.94E+47	-1.11E+01	1.22E+04	/
PLOG	/	1.31E-01	9.18E+34	-7.66E+00	4.29E+03	/
PLOG	/	9.87E-01	5.18E+44	-9.87E+00	1.30E+04	/
PLOG	/	9.87E-01	9.54E+29	-5.88E+00	3.48E+03	/
PLOG	/	9.87E+00	6.52E+39	-8.08E+00	1.34E+04	/
PLOG	/	9.87E+00	1.00E+23	-3.47E+00	2.11E+03	/
PLOG	/	9.87E+01	1.15E+33	-5.83E+00	1.27E+04	/
PLOG	/	9.87E+01	7.20E+16	-1.38E+00	7.80E+02	/

C3H4-A+OH=SC3H4OH                                 +9.35000000E+028 -4.42000000E+000 +1.60000000E+004 !\Author: SP !\Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
!PLOG /                           +9.87000000E-004 +2.76000000E+047 -1.13100000E+001 +1.17800000E+004 /
!PLOG /                           +9.87000000E-004 +4.19000000E+039 -9.60000000E+000 +4.96500000E+003 /
!PLOG /                           +9.87000000E-003 +1.00000000E+000 +3.55800000E+000 -5.42113400E+003 /
!PLOG /                           +9.87000000E-002 +2.27000000E+023 -3.42000000E+000 +4.18200000E+003 /
!PLOG /                           +9.87000000E-002 +6.30000000E-018 -1.69800000E+001 -1.01000000E+005 /
!PLOG /                           +1.31000000E-001 +1.00000000E+000 +3.81300000E+000 -3.94439200E+003 /
!PLOG /                           +9.87000000E-001 +8.67000000E+022 -3.10000000E+000 +5.51800000E+003 /
!PLOG /                           +9.87000000E-001 +5.79000000E-028 +1.04000000E+001 -2.22900000E+004 /
!PLOG /                           +9.87000000E+000 +1.14000000E+027 -4.05000000E+000 +1.12100000E+004 /
!PLOG /                           +9.87000000E+000 +9.63000000E+019 -2.61000000E+000 +1.69600000E+003 /
!PLOG /                           +9.87000000E+001 +9.35000000E+028 -4.42000000E+000 +1.60000000E+004 /
!PLOG /                           +9.87000000E+001 +2.80000000E+010 +5.30000000E-001 -8.68000000E+002 /
!
PLOG	/	9.87E-04	1.38E+47	-1.13E+01	1.18E+04	/
PLOG	/	9.87E-04	2.10E+39	-9.60E+00	4.97E+03	/
PLOG	/	9.87E-03	5.00E-01	3.56E+00	-5.42E+03	/
PLOG	/	9.87E-02	1.14E+23	-3.42E+00	4.18E+03	/
PLOG	/	9.87E-02	3.15E-18	-1.70E+01	-1.01E+05	/
PLOG	/	1.31E-01	5.00E-01	3.81E+00	-3.94E+03	/
PLOG	/	9.87E-01	4.34E+22	-3.10E+00	5.52E+03	/
PLOG	/	9.87E-01	2.90E-28	1.04E+01	-2.23E+04	/
PLOG	/	9.87E+00	5.70E+26	-4.05E+00	1.12E+04	/
PLOG	/	9.87E+00	4.82E+19	-2.61E+00	1.70E+03	/
PLOG	/	9.87E+01	4.68E+28	-4.42E+00	1.60E+04	/
PLOG	/	9.87E+01	1.40E+10	5.30E-01	-8.68E+02	/

!PLOG /                           +9.87000000E-004 +2.76000000E+047 -1.13100000E+001 +1.17800000E+004 /
!PLOG /                           +9.87000000E-004 +4.19000000E+039 -9.60000000E+000 +4.96500000E+003 /
!PLOG /                           +9.87000000E-003 +1.00000000E+000 +3.55800000E+000 -5.42113400E+003 /
!PLOG /                           +9.87000000E-002 +2.27000000E+023 -3.42000000E+000 +4.18200000E+003 /
!PLOG /                           +9.87000000E-002 +6.30000000E-018 -1.69800000E+001 -1.01000000E+005 /
!PLOG /                           +1.31000000E-001 +1.00000000E+000 +3.81300000E+000 -3.94439200E+003 /
!PLOG /                           +9.87000000E-001 +8.67000000E+022 -3.10000000E+000 +5.51800000E+003 /
!PLOG /                           +9.87000000E-001 +5.79000000E-028 +1.04000000E+001 -2.22900000E+004 /
!PLOG /                           +9.87000000E+000 +9.35E+28	-4.42E+00	1.60E+04 /
!PLOG /                           +9.87000000E+000 +9.63E+19	-2.61E+00	1.70E+03 /
!PLOG /                           +9.87000000E+001 +9.35000000E+028 -4.42000000E+000 +1.60000000E+004 /
!PLOG /                           +9.87000000E+001 +2.80000000E+010 +5.30000000E-001 -8.68000000E+002 /
!
C3H4-A+OH=CH2CO+CH3                               +7.91000000E+012 +3.20000000E-001 +1.99800000E+004 !\Author: SP !\Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +3.03000000E+022 -3.01000000E+000 +6.34100000E+003 /
PLOG /                           +9.86900000E-004 +8.33000000E+008 +1.01000000E+000 +2.68000000E+001 /
PLOG /                           +9.86900000E-003 +3.46000000E+026 -4.03000000E+000 +1.08600000E+004 /
PLOG /                           +9.86900000E-003 +4.23000000E+007 +1.40000000E+000 +7.65100000E+002 /
PLOG /                           +9.86900000E-002 +4.27000000E+025 -3.56000000E+000 +1.39800000E+004 /
PLOG /                           +9.86900000E-002 +7.90000000E+005 +1.78000000E+000 +1.08200000E+003 /
PLOG /                           +1.31300000E-001 +2.06000000E+025 -3.45000000E+000 +1.43200000E+004 /
PLOG /                           +1.31300000E-001 +3.45000000E+006 +1.55000000E+000 +1.33000000E+003 /
PLOG /                           +9.86900000E-001 +4.07000000E+025 -3.41000000E+000 +1.83700000E+004 /
PLOG /                           +9.86900000E-001 +1.51000000E+004 +2.20000000E+000 +1.75900000E+003 /
PLOG /                           +9.86900000E+000 +4.47000000E+020 -1.90000000E+000 +2.00400000E+004 /
PLOG /                           +9.86900000E+000 +1.29000000E-003 +4.35000000E+000 +1.62500000E+003 /
PLOG /                           +9.86900000E+001 +7.91000000E+012 +3.20000000E-001 +1.99800000E+004 /
PLOG /                           +9.86900000E+001 +3.10000000E-012 +6.76000000E+000 +6.56400000E+002 /
CH3C(OH)CH=CH3COCH2                               +4.07000000E+051 -1.16600000E+001 +5.00200000E+004 !\Author: SP !\Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +3.47000000E+001 +0.00000000E+000 +7.21800000E+003 /
PLOG /                           +9.86900000E-004 +0.00000000E+000 +0.00000000E+000 +0.00000000E+000 /
PLOG /                           +9.86900000E-003 +7.41000000E-039 +1.06100000E+001 -2.48000000E+004 /
PLOG /                           +9.86900000E-003 +0.00000000E+000 +0.00000000E+000 +0.00000000E+000 /
PLOG /                           +9.86900000E-002 +1.53000000E+114 -3.29300000E+001 +6.08500000E+004 /
PLOG /                           +9.86900000E-002 +0.00000000E+000 +0.00000000E+000 +0.00000000E+000 /
PLOG /                           +1.31300000E-001 +7.46000000E-127 +4.08100000E+001 -3.27200000E+004 /
PLOG /                           +1.31300000E-001 +9.90000000E-161 +2.11000000E+001 -1.54900000E+005 /
PLOG /                           +9.86900000E-001 +4.59000000E+067 -1.77600000E+001 +4.77300000E+004 /
PLOG /                           +9.86900000E-001 +1.70000000E+037 -1.60700000E+001 -9.64000000E+002 /
PLOG /                           +9.86900000E+000 +1.54000000E-102 +2.60700000E+001 -5.50400000E+004 /
PLOG /                           +9.86900000E+000 +1.06000000E+047 -1.09100000E+001 +4.20800000E+004 /
PLOG /                           +9.86900000E+001 +4.07000000E+051 -1.16600000E+001 +5.00200000E+004 /
PLOG /                           +9.86900000E+001 +4.93000000E+026 -4.92000000E+000 +3.22500000E+004 /
CH3C(OH)CH=CH2CO+CH3                              +6.80000000E+031 -5.55000000E+000 +4.46200000E+004 !\Author: SP !\Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
PLOG /                           +9.87000000E-004 +5.73000000E+015 -2.11700000E+000 +2.52176680E+004 /
PLOG /                           +9.87000000E-003 +3.10000000E+024 -4.45000000E+000 +3.04600000E+004 /
PLOG /                           +9.87000000E-003 +4.55000000E+000 -1.00900000E+001 -2.21200000E+004 /
PLOG /                           +9.87000000E-002 +2.19000000E+020 -2.89900000E+000 +3.04920000E+004 /
PLOG /                           +1.31000000E-001 +3.86000000E+019 -2.78000000E+000 +2.98200000E+004 /
PLOG /                           +1.31000000E-001 +3.86000000E+019 -2.78000000E+000 +2.98200000E+004 /
PLOG /                           +9.87000000E-001 +3.88000000E+045 -1.02500000E+001 +4.33400000E+004 /
PLOG /                           +9.87000000E-001 +3.67000000E+021 -3.65000000E+000 +2.98700000E+004 /
PLOG /                           +9.87000000E+000 +1.17000000E+041 -8.56000000E+000 +4.47100000E+004 /
PLOG /                           +9.87000000E+000 +5.81000000E+015 -1.66000000E+000 +2.99400000E+004 /
PLOG /                           +9.87000000E+001 +6.80000000E+031 -5.55000000E+000 +4.46200000E+004 /
PLOG /                           +9.87000000E+001 +2.31000000E+005 +1.67000000E+000 +2.83600000E+004 /
SC3H4OH<=>CH2CO+CH3                               +1.05000000E+030 -4.78000000E+000 +6.48100000E+004 !\Author: SP !\Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +1.59000000E+045 -1.03100000E+001 +5.80400000E+004 /
PLOG /                           +9.86900000E-004 +4.37000000E+015 -2.01000000E+000 +4.16000000E+004 /
PLOG /                           +9.86900000E-003 +4.18000000E+040 -8.69000000E+000 +5.80500000E+004 /
PLOG /                           +9.86900000E-003 +4.22000000E+016 -2.03000000E+000 +4.36700000E+004 /
PLOG /                           +9.86900000E-002 +8.86000000E+032 -6.22000000E+000 +5.60400000E+004 /
PLOG /                           +9.86900000E-002 +1.02000000E+017 -1.97000000E+000 +4.54200000E+004 /
PLOG /                           +1.31300000E-001 +3.91000000E+031 -5.80000000E+000 +5.55500000E+004 /
PLOG /                           +1.31300000E-001 +4.20000000E+016 -1.84000000E+000 +4.54600000E+004 /
PLOG /                           +9.86900000E-001 +2.66000000E+031 -5.60000000E+000 +5.73200000E+004 /
PLOG /                           +9.86900000E-001 +2.97000000E+015 -1.48000000E+000 +4.62500000E+004 /
PLOG /                           +9.86900000E+000 +4.36000000E+031 -5.46000000E+000 +6.08700000E+004 /
PLOG /                           +9.86900000E+000 +2.66000000E+010 +9.00000000E-002 +4.60200000E+004 /
PLOG /                           +9.86900000E+001 +1.05000000E+030 -4.78000000E+000 +6.48100000E+004 /
PLOG /                           +9.86900000E+001 +1.65000000E+004 +2.01000000E+000 +4.54300000E+004 /
C3H4-P+OH=PC3H4OH-2                               +3.05000000E+038 -7.55000000E+000 +1.51600000E+004 !\Author: SP !\Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +4.45000000E+058 -1.54600000E+001 +1.40000000E+004 /
PLOG /                           +9.86900000E-004 +5.00000000E+038 -9.39000000E+000 +4.92600000E+003 /
PLOG /                           +9.86900000E-003 +1.19000000E+051 -1.26900000E+001 +1.20800000E+004 /
PLOG /                           +9.86900000E-003 +3.16000000E+040 -9.81000000E+000 +5.70400000E+003 /
PLOG /                           +9.86900000E-002 +1.31000000E+050 -1.20200000E+001 +1.32600000E+004 /
PLOG /                           +9.86900000E-002 +9.98000000E+037 -8.76000000E+000 +5.70900000E+003 /
PLOG /                           +1.31300000E-001 +9.00000000E+049 -1.19200000E+001 +1.34200000E+004 /
PLOG /                           +1.31300000E-001 +3.58000000E+037 -8.59000000E+000 +5.67100000E+003 /
PLOG /                           +9.86900000E-001 +5.36000000E+047 -1.09300000E+001 +1.42800000E+004 /
PLOG /                           +9.86900000E-001 +3.15000000E+033 -7.11000000E+000 +5.10100000E+003 /
PLOG /                           +9.86900000E+000 +9.76000000E+043 -9.47000000E+000 +1.50700000E+004 /
PLOG /                           +9.86900000E+000 +1.03000000E+027 -4.84000000E+000 +3.90200000E+003 /
PLOG /                           +9.86900000E+001 +3.05000000E+038 -7.55000000E+000 +1.51600000E+004 /
PLOG /                           +9.86900000E+001 +5.51000000E+020 -2.69000000E+000 +2.61700000E+003 /
C3H4-P+OH=CH3C(OH)CH                              +3.78000000E+034 -6.46000000E+000 +1.47500000E+004 !\Author: SP !\Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +2.72000000E+056 -1.48400000E+001 +1.39500000E+004 /
PLOG /                           +9.86900000E-004 +1.45000000E+037 -9.01000000E+000 +5.01600000E+003 /
PLOG /                           +9.86900000E-003 +3.08000000E+050 -1.25500000E+001 +1.28600000E+004 /
PLOG /                           +9.86900000E-003 +7.76000000E+038 -9.39000000E+000 +5.85900000E+003 /
PLOG /                           +9.86900000E-002 +9.42000000E+048 -1.17000000E+001 +1.39900000E+004 /
PLOG /                           +9.86900000E-002 +4.15000000E+035 -8.10000000E+000 +5.64600000E+003 /
PLOG /                           +1.31300000E-001 +4.82000000E+048 -1.15600000E+001 +1.41200000E+004 /
PLOG /                           +1.31300000E-001 +1.06000000E+035 -7.88000000E+000 +5.56500000E+003 /
PLOG /                           +9.86900000E-001 +5.38000000E+045 -1.03600000E+001 +1.48100000E+004 /
PLOG /                           +9.86900000E-001 +3.81000000E+029 -5.96000000E+000 +4.62900000E+003 /
PLOG /                           +9.86900000E+000 +5.69000000E+039 -8.25000000E+000 +1.45100000E+004 /
PLOG /                           +9.86900000E+000 +6.09000000E+024 -4.28000000E+000 +3.73400000E+003 /
PLOG /                           +9.86900000E+001 +3.78000000E+034 -6.46000000E+000 +1.47500000E+004 /
PLOG /                           +9.86900000E+001 +9.42000000E+016 -1.62000000E+000 +2.07300000E+003 /
C3H4-P+OH=CH2CO+CH3                               +1.60000000E+023 -2.80000000E+000 +2.08200000E+004 !\Author: SP !\Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +2.66000000E+019 -2.65000000E+000 +3.16800000E+003 /
PLOG /                           +9.86900000E-004 +5.97000000E+005 +1.79000000E+000 +3.03000000E+001 /
PLOG /                           +9.86900000E-003 +2.65000000E+023 -3.76000000E+000 +6.00100000E+003 /
PLOG /                           +9.86900000E-003 +1.77000000E+006 +1.67000000E+000 +6.51600000E+002 /
PLOG /                           +9.86900000E-002 +1.07000000E+026 -4.36000000E+000 +9.18600000E+003 /
PLOG /                           +9.86900000E-002 +8.17000000E+006 +1.51000000E+000 +1.90000000E+003 /
PLOG /                           +1.31300000E-001 +1.25000000E+026 -4.35000000E+000 +9.55200000E+003 /
PLOG /                           +1.31300000E-001 +8.40000000E+006 +1.50000000E+000 +2.05500000E+003 /
PLOG /                           +9.86900000E-001 +4.07000000E+026 -4.29000000E+000 +1.25600000E+004 /
PLOG /                           +9.86900000E-001 +4.68000000E+006 +1.60000000E+000 +3.21600000E+003 /
PLOG /                           +9.86900000E+000 +1.62000000E+025 -3.63000000E+000 +1.60000000E+004 /
PLOG /                           +9.86900000E+000 +2.58000000E+004 +2.24000000E+000 +4.38100000E+003 /
PLOG /                           +9.86900000E+001 +1.60000000E+023 -2.80000000E+000 +2.08200000E+004 /
PLOG /                           +9.86900000E+001 +2.47000000E+002 +2.59000000E+000 +5.44700000E+003 /
!===========================================================================================================
!\SUBSPECIES: PC3H4OH-1PC3H4OH-2PC3H4OH-3
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ISOMERISATION
!___________________________________________________________________________________________________________ 
PC3H4OH-1<=>PC3H4OH-2                             +2.65000000E+036 -8.86000000E+000 +5.10190000E+004 !\Author: WARNING !\Ref: ANALOGY WITH SC2H4OH REACTIONS !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
PC3H4OH-1<=>CH3CHCO+H                             +5.69000000E+052 -1.33800000E+001 +4.50490000E+004 !\Author: WARNING !\Ref: ANALOGY WITH SC2H4OH REACTIONS !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
PC3H4OH-1+O2<=>CH3CHCO+HO2                        +5.26000000E+017 -1.63800000E+000 +8.69000000E+002 !\Author: WARNING !\Ref: ANALOGY WITH SC2H4OH REACTIONS !\Comment: WARNING 
!DONG 220622!CH2CHCHOH+O2<=>C2H3CHO+HO2                        +5.26000000E+017 -1.63800000E+000 +8.69000000E+002 !\Author: WARNING !\Ref: ANALOGY WITH SC2H4OH REACTIONS !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: PC3H4OH-1PC3H4OH-2PC3H4OH-3
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: C3H3
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C3H3<=>C3H2C+H                                    +4.70000000E+020 -1.96000000E+000 +9.03200000E+004 !\Author: SP !\Ref: KLIPPENSTEIN ET AL., J. PHYS. CHEM. A 2015, 119, 7780-7791 !\Comment: WARNING !SP_ 
PLOG /                           +1.00000000E-003 +4.40000000E+042 -9.05000000E+000 +9.62800000E+004 /
PLOG /                           +3.00000000E-003 +3.82000000E+041 -8.61000000E+000 +9.64800000E+004 /
PLOG /                           +1.00000000E-002 +9.71000000E+039 -8.03000000E+000 +9.64600000E+004 /
PLOG /                           +3.00000000E-002 +1.33000000E+038 -7.39000000E+000 +9.61500000E+004 /
PLOG /                           +1.00000000E-001 +4.77000000E+035 -6.59000000E+000 +9.54900000E+004 /
PLOG /                           +3.00000000E-001 +1.37000000E+033 -5.79000000E+000 +9.46000000E+004 /
PLOG /                           +1.00000000E+000 +1.33000000E+030 -4.87000000E+000 +9.34100000E+004 /
PLOG /                           +3.00000000E+000 +2.07000000E+027 -4.01000000E+000 +9.22100000E+004 /
PLOG /                           +1.00000000E+001 +2.49000000E+024 -3.13000000E+000 +9.09500000E+004 /
PLOG /                           +3.00000000E+001 +2.15000000E+022 -2.49000000E+000 +9.02900000E+004 /
PLOG /                           +1.00000000E+002 +4.70000000E+020 -1.96000000E+000 +9.03200000E+004 /
C3H3<=>C3H2+H                                     +3.38000000E+027 -3.33000000E+000 +1.04500000E+005 !\Author: SP !\Ref: KLIPPENSTEIN ET AL., J. PHYS. CHEM. A 2015, 119, 7780-7791 !\Comment: WARNING !SP_ 
PLOG /                           +1.00000000E-003 +2.10000000E+037 -7.68000000E+000 +1.05400000E+005 /
PLOG /                           +3.00000000E-003 +3.94000000E+039 -8.14000000E+000 +1.05700000E+005 /
PLOG /                           +1.00000000E-002 +5.43000000E+041 -8.53000000E+000 +1.06600000E+005 /
PLOG /                           +3.00000000E-002 +6.97000000E+042 -8.65000000E+000 +1.07600000E+005 /
PLOG /                           +1.00000000E-001 +1.19000000E+043 -8.52000000E+000 +1.08400000E+005 /
PLOG /                           +3.00000000E-001 +2.69000000E+042 -8.18000000E+000 +1.08900000E+005 /
PLOG /                           +1.00000000E+000 +6.46000000E+040 -7.55000000E+000 +1.08900000E+005 /
PLOG /                           +3.00000000E+000 +3.49000000E+038 -6.78000000E+000 +1.08500000E+005 /
PLOG /                           +1.00000000E+001 +1.70000000E+035 -5.71000000E+000 +1.07600000E+005 /
PLOG /                           +3.00000000E+001 +4.43000000E+031 -4.59000000E+000 +1.06200000E+005 /
PLOG /                           +1.00000000E+002 +3.38000000E+027 -3.33000000E+000 +1.04500000E+005 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C3H3+O<=>CH2O+C2H                                 +2.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C3H3+O<=>C2HCHO+H                                 +1.40000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: KUKKADAPU1@LLNL.GOV, BASED ON RECOMMENDATION FROM SLAGLE ET AL., PROCI 23(1991), 115-121 !\Comment: WARNING 
C3H3+HCO<=>C3H4-A+CO                              +2.50000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C3H3+HCO<=>C3H4-P+CO                              +2.50000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C2H5+C2H<=>C3H3+CH3                               +1.81000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: TSANG, W.; HAMPSON, R.F., J. PHYS. CHEM. REF. DATA 15, 1087(1986) !\Comment: WARNING 
C3H3+O2<=>CH2CO+HCO                               +1.70000000E+005 +1.70000000E+000 +1.50000000E+003 !\Author: SP !\Ref: DAVID K. HAHN,FARADAY DISCUSS., 2002, 119, 79-100 !\Comment: WARNING 
C3H3+CH<=>C4H3-N+H                                +7.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: JAM !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+HO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C3H3+HO2<=>C3H3O+OH                               +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C3H5-A+HO2 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
C3H3+HO2<=>C3H3O2H                                +4.73000000E+025 -4.13000000E+000 +2.92380000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C3H5-A+HO2 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.91000000E+031 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +6.31000000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +1.03000000E+045 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +2.79000000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +4.73000000E+025 -4.13000000E+000 +2.92380000E+003 /
C3H3+HO2<=>C2HCHO+H2O                             +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 !\Author: WARNING !\Ref: ANALOGY WITH C3H5-A+HO2 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.09000000E+000 +3.01000000E+000 -3.42110000E+003 /
PLOG /                           +1.00000000E-001 +6.35000000E+001 +2.50000000E+000 -2.34140000E+003 /
PLOG /                           +1.00000000E+000 +6.05000000E+005 +1.39000000E+000 +5.95100000E+002 /
PLOG /                           +1.00000000E+001 +3.10000000E+005 +1.59000000E+000 +2.67760000E+003 /
PLOG /                           +1.00000000E+002 +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 /
C3H3O2H<=>C2HCHO+H2O                              +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 !\Author: WARNING !\Ref: ANALOGY WITH C3H5-A+HO2 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.99000000E+050 -1.27000000E+001 +5.35319000E+004 /
PLOG /                           +1.00000000E-001 +4.72000000E+047 -1.15000000E+001 +5.43609000E+004 /
PLOG /                           +1.00000000E+000 +1.50000000E+040 -8.84000000E+000 +5.31792000E+004 /
PLOG /                           +1.00000000E+001 +2.54000000E+028 -5.00000000E+000 +4.99194000E+004 /
PLOG /                           +1.00000000E+002 +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 /
C3H3O=>C2HCHO+H                                   +2.57000000E+020 -2.06000000E+000 +2.20401000E+004 !\Author: SP !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325 3346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +3.00000000E+015 -2.31000000E+000 +1.46679000E+004 /
PLOG /                           +1.00000000E-002 +1.50000000E+022 -3.96000000E+000 +1.82830000E+004 /
PLOG /                           +1.00000000E-001 +1.95000000E+023 -3.99000000E+000 +1.91433000E+004 /
PLOG /                           +1.00000000E+000 +1.15000000E+025 -4.24000000E+000 +2.03112000E+004 /
PLOG /                           +1.00000000E+001 +1.76000000E+028 -4.89000000E+000 +2.27652000E+004 /
PLOG /                           +1.00000000E+002 +1.41000000E+027 -4.28000000E+000 +2.37706000E+004 /
PLOG /                           +1.00000000E+003 +2.57000000E+020 -2.06000000E+000 +2.20401000E+004 /
C2HCHO<=>C2H2+CO                                  +2.51000000E+014 +0.00000000E+000 +6.80000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H+HCO<=>C2HCHO                                  +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2HCHO+OH=>H2O+CO+C2H                             +3.73000000E+004 +2.60000000E+000 -2.30000000E+003 !\Author: SP !\Ref: LLNL !\Comment: WARNING 
C2HCHO+O=>OH+CO+C2H                               +5.94000000E+012 +0.00000000E+000 +1.86800000E+003 !\Author: SP !\Ref: LLNL !\Comment: WARNING 
C2HCHO+HO2=>H2O2+CO+C2H                           +9.40000000E+003 +2.70000000E+000 +1.15200000E+004 !\Author: SP !\Ref: LLNL !\Comment: WARNING 
C2HCHO+O2=>HO2+CO+C2H                             +3.01000000E+013 +0.00000000E+000 +3.91500000E+004 !\Author: SP !\Ref: BAULCH ET AL., J. PHYS. CHEM. REF DATA, 21 !\Comment: WARNING 
!C2HCHO+H=>H2+CO+C2H                                6.90000000E+005 +2.40000000E+000 +1.90500000E+003  !\Author: SP !\Ref: C2H3CHO+H
!C2H+CH2O<=>C2HCHO+H                             +6.01000000E+005 +2.09000000E+000 +7.89560000E+003  !\Author: SP !\Ref: C2H3CHO+H
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+H<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C3H3+H<=>C3H2+H2                                  +2.14000000E+005 +2.52000000E+000 +7.45300000E+003 !\Author: WARNING !\Ref: J. A. MILLER & S. J. KLIPPENSTEIN, JPCA, 2003, 107, 2680-2692. !\Comment: WARNING 
C3H3+H<=>C3H2(S)+H2                               +3.31100000E+013 +1.95000000E-001 +1.75790000E+004 !\Author: WARNING !\Ref: J. A. MILLER & S. J. KLIPPENSTEIN, JPCA, 2003, 107, 2680-2 !\Comment: WARNING 
PLOG /                           +3.95000000E-002 +2.95100000E+009 +1.28000000E+000 +1.34740000E+004 /
PLOG /                           +1.00000000E+000 +1.09700000E+010 +1.13000000E+000 +1.39290000E+004 /
PLOG /                           +1.00000000E+001 +3.31100000E+013 +1.95000000E-001 +1.75790000E+004 /
C3H3+H<=>H2CCC(S)+H2                              +1.00000000E+018 -1.23000000E+000 +1.51110000E+004 !\Author: WARNING !\Ref: J. A. MILLER & S. J. KLIPPENSTEIN, JPCA, 2003, 107, 2680-2 !\Comment: WARNING 
PLOG /                           +3.95000000E-002 +2.69200000E+009 +1.05000000E+000 +5.37100000E+003 /
PLOG /                           +1.00000000E+000 +2.88400000E+013 -3.00000000E-002 +9.44800000E+003 /
PLOG /                           +1.00000000E+001 +1.00000000E+018 -1.23000000E+000 +1.51110000E+004 /
C3H3+H<=>C3H2C+H2                                 +7.24400000E+009 +6.06000000E-001 +1.83560000E+004 !\Author: WARNING !\Ref: J. A. MILLER & S. J. KLIPPENSTEIN, JPCA, 2003, 107, 2680-2 !\Comment: WARNING 
PLOG /                           +3.95000000E-002 +1.07200000E+007 +1.37000000E+000 +1.55570000E+004 /
PLOG /                           +1.00000000E+000 +1.34900000E+007 +1.34000000E+000 +1.55600000E+004 /
PLOG /                           +1.00000000E+001 +7.24400000E+009 +6.06000000E-001 +1.83560000E+004 /
C3H2C+O2<=>C2H2+CO2                               +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+OH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C3H3+OH<=>C2H3+HCO                                +2.29000000E+036 -6.25000000E+000 +2.41000000E+004 !\Author: SP !\Ref: VANUZZO, BALUCANI, LEONORI, STRANGES, FALCINELLI, BERGEAT, CASAVECCHIA, GIMONDI, CAVALLOTTI, J. PHYS. CHEM. LETT. 2016, 7, 1010-1015 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +1.07088000E+019 -1.65000000E+000 +4.47000000E+003 /
PLOG /                           +1.00000000E+000 +1.09582000E+019 -1.65000000E+000 +4.62800000E+003 /
PLOG /                           +1.00000000E+001 +4.56815000E+025 -3.41000000E+000 +1.20900000E+004 /
PLOG /                           +3.00000000E+001 +2.29000000E+036 -6.25000000E+000 +2.41000000E+004 /
!
!PLOG/1.0E-1	1.61E+19	-1.65E+00	4.47E3/
!PLOG/1.0E0	1.64E+19	-1.65E+00	4.628E3/
!PLOG/1.0E1	6.85E+25	-3.41E+00	1.209E4/
!PLOG/3.0E1	3.44E+36	-6.25E+00	2.41E4/
!
!PLOG	/	1.00E-01	1.39E+19	-1.65E+00	4.47E+03	/
!PLOG	/	1.00E+00	1.42E+19	-1.65E+00	4.63E+03	/
!PLOG	/	1.00E+01	5.94E+25	-3.41E+00	1.21E+04	/
!PLOG	/	3.00E+01	2.98E+36	-6.25E+00	2.41E+04	/


C3H3+OH=>H2+C2H2+CO                               +5.49000000E+018 -1.80000000E+000 +2.75700000E+003 !\Author: SP !\Ref: VANUZZO, BALUCANI, LEONORI, STRANGES, FALCINELLI, BERGEAT, CASAVECCHIA, GIMONDI, CAVALLOTTI, J. PHYS. CHEM. LETT. 2016, 7, 1010-1015 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +9.77000000E+017 -1.60000000E+000 +1.85000000E+003 /
PLOG /                           +1.00000000E+000 +1.51000000E+020 -2.20000000E+000 +3.99200000E+003 /
PLOG /                           +1.00000000E+001 +1.78000000E+029 -4.61000000E+000 +1.39310000E+004 /
PLOG /                           +3.00000000E+001 +5.49000000E+018 -1.80000000E+000 +2.75700000E+003 /
!C3H3+OH<=>C2H4+CO                                 +1.77722000E+035 -6.86000000E+000 +6.22500000E+003 !\Author: SP !\Ref: VANUZZO, BALUCANI, LEONORI, STRANGES, FALCINELLI, BERGEAT, CASAVECCHIA, GIMONDI, CAVALLOTTI, J. PHYS. CHEM. LETT. 2016, 7, 1010-1015 !\Comment: WARNING 
!PLOG /                           +1.00000000E-001 +1.25817000E+023 -3.46000000E+000 +3.95000000E+002 /
!PLOG /                           +1.00000000E+000 +3.30934000E+029 -5.24000000E+000 +5.05100000E+003 /
!PLOG /                           +1.00000000E+001 +3.79963000E+013 -1.01000000E+000 -1.41600000E+004 /
!PLOG /                           +3.00000000E+001 +1.77722000E+035 -6.86000000E+000 +6.22500000E+003 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: AROMATIC_GROWTH
!___________________________________________________________________________________________________________ 
C3H3+C3H3=C6H6                                    +1.95000000E+050 -1.10000000E+001 +2.03000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +3.95000000E-002 +6.50000000E+068 -1.67000000E+001 +2.79000000E+004 /
PLOG /                           +3.95000000E-002 +3.52000000E+039 -8.82000000E+000 +7.05000000E+003 /
PLOG /                           +1.00000000E+000 +1.58000000E+055 -1.26000000E+001 +2.23000000E+004 /
PLOG /                           +1.00000000E+001 +1.95000000E+050 -1.10000000E+001 +2.03000000E+004 /
C3H3+C3H3=C6H5+H                                  +1.84000000E+026 -3.88000000E+000 +2.90000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +3.95000000E-002 +7.90000000E+053 -1.19000000E+001 +2.90000000E+004 /
PLOG /                           +3.95000000E-002 +6.90000000E+033 -6.72000000E+000 +1.38000000E+004 /
PLOG /                           +1.00000000E+000 +8.50000000E+047 -9.98000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+001 +1.84000000E+026 -3.88000000E+000 +2.90000000E+004 /
C3H3+C3H3=FULVENE                                 +2.81000000E+060 -1.39000000E+001 +2.71000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +3.95000000E-002 +1.17000000E+069 -1.70000000E+001 +2.59000000E+004 /
PLOG /                           +3.95000000E-002 +8.60000000E+043 -1.03000000E+001 +7.99000000E+003 /
PLOG /                           +1.00000000E+000 +2.75000000E+062 -1.47000000E+001 +2.56000000E+004 /
PLOG /                           +1.00000000E+000 +1.50000000E+035 -7.37000000E+000 +5.96000000E+003 /
PLOG /                           +1.00000000E+001 +2.81000000E+060 -1.39000000E+001 +2.71000000E+004 /
PLOG /                           +1.00000000E+001 +3.98000000E+029 -5.50000000E+000 +4.67000000E+003 /
C3H3+C3H5-A=>FULVENE+H+H                          +4.44000000E+023 -3.36000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.32000000E-002 +1.14000000E+045 -9.66000000E+000 +1.97000000E+004 /
PLOG /                           +3.95000000E-002 +2.29000000E+043 -9.12000000E+000 +2.05000000E+004 /
PLOG /                           +1.00000000E+000 +1.89000000E+038 -7.53000000E+000 +2.39000000E+004 /
PLOG /                           +1.00000000E+001 +4.44000000E+023 -3.36000000E+000 +1.82000000E+004 /
C3H3+C3H3=C4H5-2C2H                               +5.30000000E+060 -1.40000000E+001 +2.81000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +3.95000000E-002 +4.16000000E+071 -1.76000000E+001 +2.93000000E+004 /
PLOG /                           +3.95000000E-002 +4.36000000E+040 -9.17000000E+000 +7.57000000E+003 /
PLOG /                           +1.00000000E+000 +3.16000000E+059 -1.38000000E+001 +2.50000000E+004 /
PLOG /                           +1.00000000E+000 +1.28000000E+032 -6.35000000E+000 +5.43000000E+003 /
PLOG /                           +1.00000000E+001 +5.30000000E+060 -1.40000000E+001 +2.81000000E+004 /
PLOG /                           +1.00000000E+001 +1.60000000E+028 -5.04000000E+000 +4.52000000E+003 /
C4H5-2C2H=FULVENE                                 +4.90000000E+026 -4.14000000E+000 +6.54000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +3.95000000E-002 +5.75000000E+076 -1.87000000E+001 +9.55000000E+004 /
PLOG /                           +1.00000000E+000 +2.34000000E+056 -1.26000000E+001 +8.64000000E+004 /
PLOG /                           +1.00000000E+001 +4.90000000E+026 -4.14000000E+000 +6.54000000E+004 /
C3H3+C3H5-A=CHCCH2CH2CHCH2                        +4.00000000E+012 -2.00000000E-002 -1.20000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.30000000E-002 +2.11000000E+068 -1.67000000E+001 +2.58000000E+004 /
PLOG /                           +1.30000000E-002 +3.95000000E+032 -6.69000000E+000 +3.85000000E+003 /
PLOG /                           +3.90000000E-002 +4.66000000E+065 -1.58000000E+001 +2.60000000E+004 /
PLOG /                           +3.90000000E-002 +3.53000000E+030 -5.98000000E+000 +3.46000000E+003 /
PLOG /                           +1.00000000E+000 +3.27000000E+055 -1.24000000E+001 +2.49000000E+004 /
PLOG /                           +1.00000000E+000 +1.60000000E+025 -4.15000000E+000 +2.36000000E+003 /
PLOG /                           +1.00000000E+001 +4.00000000E+012 -2.00000000E-002 -1.20000000E+003 /
PLOG /                           +1.00000000E+002 +4.00000000E+012 -2.00000000E-002 -1.20000000E+003 /
C3H3+C3H5-A=CH2CCHCH2CHCH2                        +4.50000000E+012 -1.00000000E-002 -1.65000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.30000000E-002 +1.96000000E+065 -1.59000000E+001 +2.27000000E+004 /
PLOG /                           +1.30000000E-002 +1.46000000E+035 -7.48000000E+000 +4.28000000E+003 /
PLOG /                           +3.90000000E-002 +1.42000000E+064 -1.54000000E+001 +2.35000000E+004 /
PLOG /                           +3.90000000E-002 +8.55000000E+032 -6.69000000E+000 +3.88000000E+003 /
PLOG /                           +1.00000000E+000 +2.30000000E+027 -4.78000000E+000 +2.76000000E+003 /
PLOG /                           +1.00000000E+000 +3.63000000E+056 -1.28000000E+001 +2.38000000E+004 /
PLOG /                           +1.00000000E+001 +4.50000000E+012 -1.00000000E-002 -1.65000000E+003 /
PLOG /                           +1.00000000E+002 +4.50000000E+012 -1.00000000E-002 -1.65000000E+003 /
CHCCH2CH2CHCH2=CH2CCHCH2CHCH2                     +4.68000000E+016 -1.70000000E+000 +3.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.32000000E-002 +1.60000000E+043 -9.68000000E+000 +4.98000000E+004 /
PLOG /                           +3.95000000E-002 +3.04000000E+040 -8.82000000E+000 +4.91000000E+004 /
PLOG /                           +1.00000000E+000 +1.25000000E+032 -6.24000000E+000 +4.58000000E+004 /
PLOG /                           +1.00000000E+001 +4.22000000E+024 -4.02000000E+000 +4.21000000E+004 /
PLOG /                           +1.00000000E+002 +4.68000000E+016 -1.70000000E+000 +3.77000000E+004 /
CH2CCHCH2CHCH2=>FULVENE+H+H                       +5.30000000E+021 -3.01000000E+000 +4.90000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.32000000E-002 +3.41000000E+037 -8.05000000E+000 +5.10000000E+004 /
PLOG /                           +3.95000000E-002 +3.19000000E+036 -7.68000000E+000 +5.13000000E+004 /
PLOG /                           +1.00000000E+000 +3.20000000E+032 -6.31000000E+000 +5.16000000E+004 /
PLOG /                           +1.00000000E+001 +2.20000000E+006 -4.45000000E+000 +4.94000000E+004 /
PLOG /                           +1.00000000E+002 +5.30000000E+021 -3.01000000E+000 +4.90000000E+004 /
CHCCH2CH2CHCH2=>FULVENE+H+H                       +3.13000000E+022 -3.51000000E+000 +6.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.32000000E-002 +3.72000000E+075 -1.97000000E+001 +8.35000000E+004 /
PLOG /                           +3.95000000E-002 +5.22000000E+084 -2.12000000E+001 +9.32000000E+004 /
PLOG /                           +1.00000000E+000 +4.34000000E+083 -2.06000000E+001 +1.02000000E+005 /
PLOG /                           +1.00000000E+001 +9.08000000E+070 -1.69000000E+001 +9.99000000E+004 /
PLOG /                           +1.00000000E+002 +3.13000000E+022 -3.51000000E+000 +6.50000000E+004 /
C4H5-2C2H=C6H6                                    +2.82000000E+051 -1.06800000E+001 +1.06950000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +3.95000000E-002 +6.76000000E+098 -2.45800000E+001 +1.22310000E+005 /
PLOG /                           +1.00000000E+000 +1.62000000E+053 -1.13400000E+001 +1.00210000E+005 /
PLOG /                           +1.00000000E+001 +2.82000000E+051 -1.06800000E+001 +1.06950000E+005 /
C4H5-2C2H=C6H5+H                                  +3.09000000E+043 -7.92800000E+000 +1.18650000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +3.95000000E-002 +2.69000000E+084 -2.01400000E+001 +1.21900000E+005 /
PLOG /                           +1.00000000E+000 +4.17000000E+077 -1.76800000E+001 +1.33520000E+005 /
PLOG /                           +1.00000000E+001 +3.09000000E+043 -7.92800000E+000 +1.18650000E+005 /
C3H3+C3H4-A=>FULVENE+H                            +4.74000000E+011 +2.65000000E-001 +1.35970000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +3.02000000E+006 +4.19000000E-001 +2.50000000E+003 /
PLOG /                           +1.00000000E-002 +5.18000000E+018 -2.74500000E+000 +1.05470000E+004 /
PLOG /                           +1.00000000E-001 +5.00000000E+022 -3.50000000E+000 +1.51630000E+004 /
PLOG /                           +1.00000000E+000 +1.64000000E+021 -2.72700000E+000 +1.69390000E+004 /
PLOG /                           +1.00000000E+001 +7.50000000E+016 -1.25600000E+000 +1.63620000E+004 /
PLOG /                           +1.00000000E+002 +4.74000000E+011 +2.65000000E-001 +1.35970000E+004 /
C3H3+C3H4-P=>H+FULVENE                            +5.98000000E+045 -9.54500000E+000 +4.95050000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +2.48000000E+031 -6.05300000E+000 +1.93610000E+004 /
PLOG /	                          1.00E-03	1.46E+30	-5.74	20758	/	!PLOG	FROM	CHEBYSHEV,	550-2006K;	REFIT	ABS	ERROR:	MEDIAN	=	4%,	MEAN	=	4%,	MAX	=	18%	@2006K
PLOG /                           +1.00000000E-003 +4.79000000E+033 -6.65600000E+000 +2.22360000E+004 /
PLOG /                           +1.00000000E-002 +1.16000000E+035 -7.12500000E+000 +2.14300000E+004 /
PLOG /	                          1.00E-02	1.44E+33	-6.627	22316	/	!PLOG	FROM	CHEBYSHEV,	550-2006K;	REFIT	ABS	ERROR:	MEDIAN	=	6%,	MEAN	=	6%,	MAX	=	29%	@2006K
PLOG /                           +1.00000000E-002 +5.08000000E+035 -7.26100000E+000 +2.32440000E+004 /
PLOG /                           +1.00000000E-001 +2.04000000E+041 -8.81300000E+000 +2.72600000E+004 /
PLOG /	                          1.00E-01	5.78E+39	-8.426	28146	/	!PLOG	FROM	CHEBYSHEV,	550-2006K;	REFIT	ABS	ERROR:	MEDIAN	=	6%,	MEAN	=	6%,	MAX	=	33%	@2006K
PLOG /                           +1.00000000E-001 +4.74000000E+043 -9.45200000E+000 +2.99250000E+004 /
PLOG /                           +1.00000000E+000 +7.44000000E+046 -1.02290000E+001 +3.49170000E+004 /
PLOG /	                          1.00E+00	1.23E+46	-10.068	36047	/	!PLOG	FROM	CHEBYSHEV,	550-2006K;	REFIT	ABS	ERROR:	MEDIAN	=	3%,	MEAN	=	4%,	MAX	=	23%	@2006K
PLOG /                           +1.00000000E+000 +1.22000000E+052 -1.16860000E+001 +3.92150000E+004 /
PLOG /                           +1.00000000E+001 +1.05000000E+049 -1.06430000E+001 +4.27460000E+004 /
PLOG /	                          1.00E+01	5.47E+48	-10.622	44077	/	!PLOG	FROM	CHEBYSHEV,	550-2006K;	REFIT	ABS	ERROR:	MEDIAN	=	4%,	MEAN	=	4%,	MAX	=	18%	@550K
PLOG /                           +1.00000000E+001 +1.02000000E+056 -1.25920000E+001 +4.83630000E+004 /
PLOG /                           +1.00000000E+002 +5.98000000E+045 -9.54500000E+000 +4.95050000E+004 /
PLOG /	                          1.00E+02	2.07E+45	-9.458	50839	/	!PLOG	FROM	CHEBYSHEV,	550-2006K;	REFIT	ABS	ERROR:	MEDIAN	=	17%,	MEAN	=	18%,	MAX	=	74%	@550K
PLOG /                           +1.00000000E+002 +1.80000000E+052 -1.13100000E+001 +5.55710000E+004 /
!===========================================================================================================
!\ENDSUBSPECIES: C3H3
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: C3H2
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+OH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C3H2(S)+M<=>C3H2+M                                +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H2(S)+H<=>H2CCC(S)+H                            +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
H2CCC(S)+O2<=>CO2+C2H2                            +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H2+O=>CO+H+C2H                                  +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: KUKKADAPU1@LLNL.GOV,FROM ANL MODEL !\Comment: WARNING 
C3H2+OH=>C2H2+HCO                                 +5.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: FROM ANL MODEL... !\Comment: WARNING 
C3H2+OH=>C2H2+H+CO                                +1.84400000E+023 -2.60000000E+000 +1.57693000E+004 !\Author: SP !\Ref: FROM ANL MODEL... !\Comment: WARNING 
PLOG /                           +3.95000000E-002 +5.81500000E+021 -2.20000000E+000 +1.34332000E+004 /
PLOG /                           +1.00000000E+000 +3.53400000E+022 -2.40000000E+000 +1.46827000E+004 /
PLOG /                           +1.00000000E+001 +1.84400000E+023 -2.60000000E+000 +1.57693000E+004 /
!C3H2+O2=CO2+C2H2                                  +1.15000000E+006 +2.24500000E+000 +3.67600000E+002 !\Author: SP !\Ref: FROM ANL MODEL... ! !KUKKADAPU1.LLNL.GOV !\Comment: WARNING 
C3H2+O2=CO2+C2H2                                   1.00000000E+013 +0.00000000E+000 +0.00000000E+000
C3H2+O2=>CO2+C2H+H                                +1.15000000E+006 +2.24500000E+000 +3.67600000E+002 !\Author: SP !\Ref: FROM ANL MODEL... ! !KUKKADAPU1.LLNL.GOV !\Comment: WARNING 
C3H2+O2=>HCCO+CO+H                                +2.50000000E+005 +2.24500000E+000 +3.67600000E+002 !\Author: SP !\Ref: FROM ANL MODEL... ! !KUKKADAPU1.LLNL.GOV !\Comment: WARNING 
C3H2C+O2=>CO2+C2H+H                                +1.15000000E+006 +2.24500000E+000 +3.67600000E+002 !\Author: SP !\Ref: FROM ANL MODEL... ! !KUKKADAPU1.LLNL.GOV !\Comment: WARNING
C3H2C+O2=>HCCO+CO+H                                +2.50000000E+005 +2.24500000E+000 +3.67600000E+002 !\Author: SP !\Ref: FROM ANL MODEL... ! !KUKKADAPU1.LLNL.GOV !\Comment: WARNING 
C3H2C+O=>CO+H+C2H                                  +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: KUKKADAPU1@LLNL.GOV,FROM ANL MODEL !\Comment: WARNING 
C3H2C+OH=>C2H2+HCO                                 +5.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: FROM ANL MODEL... !\Comment: WARNING 
C3H2C+OH=>C2H2+H+CO                                +1.84400000E+023 -2.60000000E+000 +1.57693000E+004 !\Author: SP !\Ref: FROM ANL MODEL... !\Comment: WARNING 
C3H2(S)+O2=>CO2+C2H+H                                +1.15000000E+006 +2.24500000E+000 +3.67600000E+002 !\Author: SP !\Ref: FROM ANL MODEL... ! !KUKKADAPU1.LLNL.GOV !\Comment: WARNING
C3H2(S)+O2=>HCCO+CO+H                                +2.50000000E+005 +2.24500000E+000 +3.67600000E+002 !\Author: SP !\Ref: FROM ANL MODEL... ! !KUKKADAPU1.LLNL.GOV !\Comment: WARNING 
C3H2(S)+O=>CO+H+C2H                                  +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: KUKKADAPU1@LLNL.GOV,FROM ANL MODEL !\Comment: WARNING 
C3H2(S)+OH=>C2H2+HCO                                 +5.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: FROM ANL MODEL... !\Comment: WARNING 
C3H2(S)+OH=>C2H2+H+CO                                +1.84400000E+023 -2.60000000E+000 +1.57693000E+004 !\Author: SP !\Ref: FROM ANL MODEL... !\Comment: WARNING 
H2CCC(S)+O2=>CO2+C2H+H                                +1.15000000E+006 +2.24500000E+000 +3.67600000E+002 !\Author: SP !\Ref: FROM ANL MODEL... ! !KUKKADAPU1.LLNL.GOV !\Comment: WARNING
H2CCC(S)+O2=>HCCO+CO+H                                +2.50000000E+005 +2.24500000E+000 +3.67600000E+002 !\Author: SP !\Ref: FROM ANL MODEL... ! !KUKKADAPU1.LLNL.GOV !\Comment: WARNING 
H2CCC(S)+O=>CO+H+C2H                                  +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: KUKKADAPU1@LLNL.GOV,FROM ANL MODEL !\Comment: WARNING 
H2CCC(S)+OH=>C2H2+HCO                                 +5.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: FROM ANL MODEL... !\Comment: WARNING 
H2CCC(S)+OH=>C2H2+H+CO                                +1.84400000E+023 -2.60000000E+000 +1.57693000E+004 !\Author: SP !\Ref: FROM ANL MODEL... !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: C3H2
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: CH3CHCO
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONOH
!___________________________________________________________________________________________________________ 
CH3CHCO+OH<=>C2H5+CO2                             +1.73000000E+012 +0.00000000E+000 -1.01000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
CH3CHCO+OH<=>SC2H4OH+CO                           +2.00000000E+012 +0.00000000E+000 -1.01000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 

!DONG 0923!
CH3CHCO+OH<=>C2H3CO+H2O                          +4.46000000E+006 +2.07200000E+000 +1.05080000E+003  !\Author: WARNING !\Ref: WARNING !\Comment: C5H10-2+OH<=>C5H91-3+H2O
CH3CHCO+HO2<=>C2H3CO+H2O2                        +3.44000000E-001 +4.00000000E+000 +1.21030000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: SD
C2H3CO+HO2<=>CH2OOHCHCO                          +7.20000000E+031 -6.01000000E+000 +6.05360000E+003  !1.0*PRIMARY ALLYL\AUTHOR: !\REF:Goldsmith, C. Franklin, et al. Proceedings of the Combustion Institute 33.1 (2011): 273-282. \COMMENT: 100 ATM
CH2OOHCHCO<=>CH2OCHCO+OH                         +1.28000000E+027 -3.61000000E+000 +4.63331000E+004  !\AUTHOR: !\REF:Goldsmith, C. Franklin, et al. Proceedings of the Combustion Institute 33.1 (2011): 273-282. \COMMENT:
CH2OCHCO<=>CH2O+HCCO                             +8.52000000E+025 -3.61000000E+000 +2.78634000E+004  !HPL TAKEN\AUTHOR: SD!\REF: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116 (13), PP 3325-3346 !\COMMENT: C5H9O2-1<=>CH2O+C4H71-1

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONH
!___________________________________________________________________________________________________________ 
CH3CHCO+H<=>C2H5+CO                               +4.40000000E+012 +0.00000000E+000 +1.45900000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONO
!___________________________________________________________________________________________________________ 
CH3CHCO+O<=>CH3CHO+CO                             +3.20000000E+012 +0.00000000E+000 -4.37000000E+002 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: CH3CHCO
!===========================================================================================================
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C3H4-AC3H4-P
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: NC3H7OH
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
!DONG 0525!NC3H7OH(+M)<=>C3H6+H2O(+M)                        +3.52000000E+013 +0.00000000E+000 +6.72600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!LOW /                                             +1.98800000E+081 -1.85900000E+001 +7.81900000E+004 /
!DONG 0525!TROE /                           +1.30000000E-001 +1.00000000E+000 +8.93800000E+009 +9.33000000E+009 /
NC3H7OH=C3H6+H2O                                       2.00E+06    2.120   60935 !BUI ET AL., J. CHEM. PHYS. 117, 11188 (2002), ISOPROP ANALOGY, SAGGESE1@LLNL.GOV 
PLOG /  6.58E-02  1.60E+51  -11.460   80320 /
PLOG /  1.00E+00  6.10E+43   -9.130   77863 /

!DONG 0525!NC3H7OH(+M)<=>CH3+PC2H4OH(+M)                     +8.80600000E+023 -2.11900000E+000 +8.98200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!LOW /                                             +2.20400000E+064 -1.33900000E+001 +9.53300000E+004 /
!DONG 0525!TROE /                           +3.07000000E-001 +1.10980000E+003 +9.33000000E+009 +9.33000000E+009 /
NC3H7OH=CH3+PC2H4OH                                    3.02E+84  -20.110  122636 !SAGGESE1@LLNL.GOV! RXN6 CAI COMBUST.FLAME 160 (2013) 1939-1957 ANALOGY TO SC4H9OH=CH3+C3H6OH2-1
PLOG /  1.00E+00  3.02E+84  -20.110  122636 /
PLOG /  1.00E+01  1.77E+61  -13.210  110822 /
PLOG /  1.00E+02  3.24E+38   -6.570   98022 /

NC3H7OH(+M)<=>C2H5+CH2OH(+M)                      +1.73000000E+026 -2.72000000E+000 +8.62000000E+004 !\Author: SD !\Ref: MAN ET AL. CNF 161(2014)644-656 !\Comment: WARNING 
LOW /                                             +1.68000000E+089 -2.03600000E+001 +9.94000000E+004 /
TROE /                           +5.58450000E-003 +3.58000000E+002 +4.93000000E+007 +2.48000000E+003 /
NC3H7OH(+M)<=>NC3H7+OH(+M)                        +5.25700000E+020 -1.33900000E+000 +9.46300000E+004 !\Author: SD !\Ref: MAN ET AL. CNF 161(2014)644-656 !\Comment: WARNING 
LOW /                                             +8.92000000E+057 -1.17800000E+001 +9.94100000E+004 /
TROE /                           +3.55000000E-001 +9.41950000E+002 +9.92000000E+009 +9.92000000E+009 /
NC3H7OH<=>C3H6OH1-3+H                             +1.83700000E+017 -3.56000000E-001 +1.01200000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7OH<=>C3H6OH1-2+H                             +3.52000000E+018 -7.28000000E-001 +1.00400000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7OH<=>C3H6OH1-1+H                             +1.77800000E+016 -1.73000000E-001 +9.53100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7OH<=>NC3H7O+H                                +7.02900000E+014 +7.40000000E-002 +1.04900000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH_R_ABSTRACTION
!___________________________________________________________________________________________________________ 
!DONG 0525!NC3H7OH+O2<=>C3H6OH1-1+HO2                        +2.00000000E+013 +0.00000000E+000 +4.94600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+H<=>C3H6OH1-1+H2                          +1.79000000E+005 +2.53000000E+000 +3.42000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+OH<=>C3H6OH1-1+H2O                        +5.56000000E+010 +5.00000000E-001 -3.80000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+O<=>C3H6OH1-1+OH                          +1.45000000E+005 +2.47000000E+000 +8.76000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+HO2<=>C3H6OH1-1+H2O2                      +6.00000000E+012 +0.00000000E+000 +1.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+CH3O2<=>C3H6OH1-1+CH3O2H                  +6.00000000E+012 +0.00000000E+000 +1.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+CH3<=>C3H6OH1-1+CH4                       +1.99300000E+001 +3.37000000E+000 +7.63400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+C2H5<=>C3H6OH1-1+C2H6                     +2.00000000E+011 +0.00000000E+000 +1.10000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+HCO<=>C3H6OH1-1+CH2O                      +1.00000000E+007 +1.90000000E+000 +1.70000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+CH2OH<=>C3H6OH1-1+CH3OH                   +6.00000000E+001 +2.95000000E+000 +1.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+CH3O<=>C3H6OH1-1+CH3OH                    +1.50000000E+011 +0.00000000E+000 +4.50000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+O2<=>C3H6OH1-2+HO2                        +2.44000000E+012 +2.20000000E-001 +4.97600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+H<=>C3H6OH1-2+H2                          +1.11300000E+005 +2.40000000E+000 +2.01000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+OH<=>C3H6OH1-2+H2O                        +5.58800000E+007 +1.61000000E+000 +1.17600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+O<=>C3H6OH1-2+OH                          +1.44000000E+005 +2.61000000E+000 +3.02900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+HO2<=>C3H6OH1-2+H2O2                      +2.30000000E-003 +3.37000000E+000 +4.66000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+CH3O2<=>C3H6OH1-2+CH3O2H                  +1.56000000E+003 +2.81000000E+000 +1.42800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+CH3<=>C3H6OH1-2+CH4                       +8.02000000E+000 +3.23000000E+000 +6.46100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+C2H5<=>C3H6OH1-2+C2H6                     +7.66000000E+000 +3.11000000E+000 +1.22100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+HCO<=>C3H6OH1-2+CH2O                      +5.16000000E+005 +2.25000000E+000 +1.67600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+CH2OH<=>C3H6OH1-2+CH3OH                   +1.53000000E+001 +3.11000000E+000 +1.22100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+CH3O<=>C3H6OH1-2+CH3OH                    +3.02000000E+000 +1.80000000E-001 +4.70300000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+H<=>C3H6OH1-3+H2                          +6.66000000E+005 +2.54000000E+000 +6.75600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+OH<=>C3H6OH1-3+H2O                        +5.28000000E+009 +9.70000000E-001 +1.58600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+O<=>C3H6OH1-3+OH                          +9.81000000E+005 +2.43000000E+000 +4.75000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+HO2<=>C3H6OH1-3+H2O2                      +2.38000000E+004 +2.55000000E+000 +1.64900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+CH3O2<=>C3H6OH1-3+CH3O2H                  +2.38000000E+004 +2.55000000E+000 +1.64900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+CH3<=>C3H6OH1-3+CH4                       +4.53000000E-001 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+C2H5<=>C3H6OH1-3+C2H6                     +4.62000000E-001 +3.65000000E+000 +9.14200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+HCO<=>C3H6OH1-3+CH2O                      +1.02000000E+005 +2.50000000E+000 +1.84400000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+CH2OH<=>C3H6OH1-3+CH3OH                   +1.01000000E+002 +2.95000000E+000 +1.39700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+CH3O<=>C3H6OH1-3+CH3OH                    +2.17000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+O2<=>NC3H7O+HO2                           +1.00000000E+013 +0.00000000E+000 +4.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+H<=>NC3H7O+H2                             +5.36000000E+004 +2.53000000E+000 +4.40500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+OH<=>NC3H7O+H2O                           +1.50000000E+010 +8.00000000E-001 +2.53400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+O<=>NC3H7O+OH                             +1.58000000E+007 +2.00000000E+000 +4.44800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+HO2<=>NC3H7O+H2O2                         +2.50000000E+012 +0.00000000E+000 +2.40000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+CH3O2<=>NC3H7O+CH3O2H                     +2.50000000E+012 +0.00000000E+000 +2.40000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+CH3<=>NC3H7O+CH4                          +2.04000000E+000 +3.57000000E+000 +7.72100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+C2H5<=>NC3H7O+C2H6                        +1.00000000E+011 +0.00000000E+000 +9.20000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+HCO<=>NC3H7O+CH2O                         +3.40000000E+004 +2.50000000E+000 +1.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+CH2OH<=>NC3H7O+CH3OH                      +1.20000000E+002 +2.76000000E+000 +1.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!NC3H7OH+CH3O<=>NC3H7O+CH3OH                       +2.30000000E+010 +0.00000000E+000 +2.90000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

NC3H7OH+O2=C3H6OH1-3+HO2                               2.70E+14    0.000   56674 !WAGNON1@LLNL.GOV! A=DEG*9E+13, E=DH298+2RT, T=1000K
NC3H7OH+O2=C3H6OH1-2+HO2                               1.80E+14    0.000   54374 !WAGNON1@LLNL.GOV! A=DEG*9E+13, E=DH298+2RT, T=1000K
NC3H7OH+O2=C3H6OH1-1+HO2                               1.80E+14    0.000   50574 !WAGNON1@LLNL.GOV! A=DEG*9E+13, E=DH298+2RT, T=1000K
NC3H7OH+O2=NC3H7O+HO2                                  9.00E+13    0.000   60074 !WAGNON1@LLNL.GOV! A=DEG*9E+13, E=DH298+2RT, T=1000K
NC3H7OH+H=C3H6OH1-3+H2                                 6.66E+05    2.540    6756 !
NC3H7OH+H=C3H6OH1-2+H2                                 1.11E+05    2.400    2010 !
NC3H7OH+H=C3H6OH1-1+H2                                 1.79E+05    2.530    3420 !
NC3H7OH+H=NC3H7O+H2                                    5.36E+04    2.530    4405 
NC3H7OH+OH=C3H6OH1-3+H2O                               5.41E+06    2.000     513 !GAMMA P, MC GILLEN ET AL., J. PHYS. CHEM. A 2013, 117, 4636-4656 ISOBUT ANALOGY, SAGGESE1@LLNL.GOV
NC3H7OH+OH=C3H6OH1-2+H2O                               1.99E-01    4.110   -3692 !BETA S, MC GILLEN ET AL., J. PHYS. CHEM. A 2013, 117, 4636-4656 NBUT ANALOGY, SAGGESE1@LLNL.GOV
NC3H7OH+OH=C3H6OH1-1+H2O                               5.97E+05    2.180   -1836 !ALPHA S, MC GILLEN ET AL., J. PHYS. CHEM. A 2013, 117, 4636-4656 ISOBUT ANALOGY, SAGGESE1@LLNL.GOV
NC3H7OH+OH=NC3H7O+H2O                                  5.88E+02    2.820    -585 !MERCHANT ET AL., COMBUSTION AND FLAME 160 (2013) 1907-1929, SAGGESE1@LLNL.GOV
NC3H7OH+O=C3H6OH1-3+OH                                 9.81E+05    2.430    4750 !
NC3H7OH+O=C3H6OH1-2+OH                                 1.44E+05    2.610    3029 !
NC3H7OH+O=C3H6OH1-1+OH                                 1.45E+05    2.470     876 !
NC3H7OH+O=NC3H7O+OH                                    1.58E+07    2.000    4448 
NC3H7OH+HO2=C3H6OH1-3+H2O2                             1.28E-04    4.680   13853 !GAMMA PRIM, BAO, TRUHLAR, CHEMICAL SCIENCE. 2015;6(10):5866-81, 2BUT ANALOGY, SAGGESE1@LLNL.GOV
NC3H7OH+HO2=C3H6OH1-2+H2O2                             1.01E-03    4.570   12115 !A*2.5,BETA SEC, BAO, TRUHLAR, CHEMICAL SCIENCE. 2015;6(10):5866-81, 2BUT ANALOGY, SAGGESE1@LLNL.GOV
NC3H7OH+HO2=C3H6OH1-1+H2O2                             2.45E-05    5.260    7475 !\AUTHOR: SAGGESE1@LLNL.GOV !\REF: MITTAL ET AL., COMBUSTION AND FLAME, 2014
NC3H7OH+HO2=NC3H7O+H2O2                                1.11E-01    3.874   16416 !ZHAO, HUANG, J. PHYS. CHEM. A 2019, 123, 971-982, ETHANOL ANALOGY, SAGGESE1@LLNL.GOV
NC3H7OH+CH3O2=C3H6OH1-3+CH3O2H                         2.38E+04    2.550   16490 !
NC3H7OH+CH3O2=C3H6OH1-2+CH3O2H                         1.56E+03    2.810   14280 !
NC3H7OH+CH3O2=C3H6OH1-1+CH3O2H                         6.00E+12    0.000   16000 !
NC3H7OH+CH3O2=NC3H7O+CH3O2H                            2.50E+12    0.000   24000 
NC3H7OH+CH3=C3H6OH1-3+CH4                              4.53E-01    3.650    7154 !
NC3H7OH+CH3=C3H6OH1-2+CH4                              8.02E+00    3.230    6461 !
NC3H7OH+CH3=C3H6OH1-1+CH4                              1.99E+01    3.370    7634 !
NC3H7OH+CH3=NC3H7O+CH4                                 2.04E+00    3.570    7721 
NC3H7OH+C2H5=C3H6OH1-3+C2H6                            4.62E-01    3.650    9142 !
NC3H7OH+C2H5=C3H6OH1-2+C2H6                            7.66E+00    3.110   12210 !
NC3H7OH+C2H5=C3H6OH1-1+C2H6                            2.00E+11    0.000   11000 !
NC3H7OH+C2H5=NC3H7O+C2H6                               1.00E+11    0.000    9200 
NC3H7OH+HCO=C3H6OH1-3+CH2O                             1.02E+05    2.500   18440 !
NC3H7OH+HCO=C3H6OH1-2+CH2O                             5.16E+05    2.250   16760 !
NC3H7OH+HCO=C3H6OH1-1+CH2O                             1.00E+07    1.900   17000 !
NC3H7OH+HCO=NC3H7O+CH2O                                3.40E+04    2.500   13500 
NC3H7OH+CH2OH=C3H6OH1-3+CH3OH                          1.01E+02    2.950   13970 !
NC3H7OH+CH2OH=C3H6OH1-2+CH3OH                          1.53E+01    3.110   12210 !
NC3H7OH+CH2OH=C3H6OH1-1+CH3OH                          6.00E+01    2.950   12000 !
NC3H7OH+CH2OH=NC3H7O+CH3OH                             1.20E+02    2.760   10800 
NC3H7OH+CH3O=C3H6OH1-3+CH3OH                           2.17E+11    0.000    6458 !
NC3H7OH+CH3O=C3H6OH1-2+CH3OH                           3.02E+00    0.180    4703 !
NC3H7OH+CH3O=C3H6OH1-1+CH3OH                           1.50E+11    0.000    4500 !
NC3H7OH+CH3O=NC3H7O+CH3OH                              2.30E+10    0.000    2900 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ISOMERISATION
!___________________________________________________________________________________________________________ 
!DONG 0525 TO CHECK!NC3H7O<=>C3H6OH1-3                                +9.00000000E-005 +4.59000000E+000 +1.14000000E+004 !\Author: SP !\Ref: DAMES, GREEN, INT J CHEM KIN 48.9(2016) !\Comment: WARNING 

C3H6OH1-3=NC3H7O                                       2.60E+02    2.390   19100 !WAGNON1@LLNL.GOV! HPL PARAMETERIZATION ZADOR 34 (2013) 519-526
!DONG 0525 TO CHECK!C3H6OH1-3=C3H6OH1-2                                    2.90E+08    1.390   35600 !WAGNON1@LLNL.GOV! HPL PARAMETERIZATION ZADOR 34 (2013) 519-526
C3H6OH1-3<=>C3H6OH1-2                             +4.54000000E+034 -6.18000000E+000 +4.25000000E+004 !\Author: WARNING !\Ref: ZADOR AND MILLER, PROC. COMBUST. 34(2013) 519-526 !\Comment: WARNING 
PLOG /                           +5.26000000E-003 +1.00000000E-004 +1.00000000E+000 +1.00000000E+004 /
PLOG /                           +1.00000000E-001 +1.01000000E+039 -8.34000000E+000 +3.82000000E+004 /
PLOG /                           +1.00000000E+000 +5.67000000E+041 -8.80000000E+000 +4.19000000E+004 /
PLOG /                           +1.00000000E+001 +5.96000000E+040 -8.21000000E+000 +4.37000000E+004 /
PLOG /                           +1.00000000E+002 +4.54000000E+034 -6.18000000E+000 +4.25000000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C3H6OH1-3<=>C2H4+CH2OH                            +2.61000000E+037 -7.15000000E+000 +4.82000000E+004 !\Author: SP !\Ref: ZADOR AND MILLER, PROC. COMBUST. 34(2013) 519-526 !\Comment: WARNING 
PLOG /                           +5.26000000E-003 +5.96000000E+022 -4.59000000E+000 +3.02000000E+004 /
PLOG /                           +1.00000000E-001 +1.63000000E+032 -6.80000000E+000 +3.71000000E+004 /
PLOG /                           +1.00000000E+000 +9.29000000E+038 -8.33000000E+000 +4.33000000E+004 /
PLOG /                           +1.00000000E+001 +9.08000000E+042 -9.08000000E+000 +4.86000000E+004 /
PLOG /                           +1.00000000E+002 +2.61000000E+037 -7.15000000E+000 +4.82000000E+004 /
C3H6OH1-3<=>C3H5OH+H                              +6.51000000E+035 -6.61000000E+000 +4.54000000E+004 !\Author: WARNING !\Ref: ZADOR AND MILLER, PROC. COMBUST. 34(2013) 519-526 !\Comment: WARNING 
PLOG /                           +5.26000000E-003 +2.37000000E+031 -6.82000000E+000 +3.38000000E+004 /
PLOG /                           +1.00000000E-001 +1.76000000E+038 -8.33000000E+000 +3.95000000E+004 /
PLOG /                           +1.00000000E+000 +9.92000000E+041 -9.05000000E+000 +4.38000000E+004 /
PLOG /                           +1.00000000E+001 +6.47000000E+041 -8.64000000E+000 +4.63000000E+004 /
PLOG /                           +1.00000000E+002 +6.51000000E+035 -6.61000000E+000 +4.54000000E+004 /
C3H6OH1-3<=>C2H5+CH2O                             +2.90000000E+036 -6.88000000E+000 +4.71000000E+004 !\Author: SP !\Ref: ZADOR AND MILLER, PROC. COMBUST. 34(2013) 519-526 !\Comment: WARNING 
PLOG /                           +5.26000000E-003 +5.96000000E+023 -4.84000000E+000 +3.00000000E+004 /
PLOG /                           +1.00000000E-001 +2.88000000E+032 -6.84000000E+000 +3.67000000E+004 /
PLOG /                           +1.00000000E+000 +7.10000000E+041 -9.13000000E+000 +4.48000000E+004 /
PLOG /                           +1.00000000E+001 +1.63000000E+042 -8.86000000E+000 +4.77000000E+004 /
PLOG /                           +1.00000000E+002 +2.90000000E+036 -6.88000000E+000 +4.71000000E+004 /
C3H6OH1-3<=>C3H6+OH                               +6.57000000E+038 -7.85000000E+000 +4.86000000E+004 !\Author: SP !\Ref: ZADOR AND MILLER, PROC. COMBUST. 34(2013) 519-526 !\Comment: WARNING 
PLOG /                           +5.26000000E-003 +5.39000000E+022 -4.80000000E+000 +2.87000000E+004 /
PLOG /                           +1.00000000E-001 +1.81000000E+031 -6.76000000E+000 +3.58000000E+004 /
PLOG /                           +1.00000000E+000 +3.16000000E+037 -8.17000000E+000 +4.19000000E+004 /
PLOG /                           +1.00000000E+001 +8.30000000E+040 -8.78000000E+000 +4.68000000E+004 /
PLOG /                           +1.00000000E+002 +6.57000000E+038 -7.85000000E+000 +4.86000000E+004 /
C3H6OH1-3<=>IC3H5OH+H                             +6.51000000E+035 -6.61000000E+000 +4.54000000E+004 !\Author: WARNING !\Ref: ZADOR AND MILLER, PROC. COMBUST. 34(2013) 519-526 !\Comment: WARNING 
PLOG /                           +5.26000000E-003 +2.37000000E+031 -6.82000000E+000 +3.38000000E+004 /
PLOG /                           +1.00000000E-001 +1.76000000E+038 -8.33000000E+000 +3.95000000E+004 /
PLOG /                           +1.00000000E+000 +9.92000000E+041 -9.05000000E+000 +4.38000000E+004 /
PLOG /                           +1.00000000E+001 +6.47000000E+041 -8.64000000E+000 +4.63000000E+004 /
PLOG /                           +1.00000000E+002 +6.51000000E+035 -6.61000000E+000 +4.54000000E+004 /
C3H6OH1-2<=>H+C3H5OH                              +1.78000000E+037 -6.92000000E+000 +5.02000000E+004 !\Author: SP !\Ref: ZADOR AND MILLER, PROC. COMBUST. 34(2013) 519-526 !\Comment: WARNING 
PLOG /                           +5.26000000E-003 +2.44000000E-015 +5.91000000E+000 +1.41000000E+004 /
PLOG /                           +1.00000000E-001 +3.95000000E+009 -4.70000000E-001 +2.59000000E+004 /
PLOG /                           +1.00000000E+000 +1.36000000E+028 -5.24000000E+000 +3.83000000E+004 /
PLOG /                           +1.00000000E+001 +2.57000000E+037 -7.39000000E+000 +4.67000000E+004 /
PLOG /                           +1.00000000E+002 +1.78000000E+037 -6.92000000E+000 +5.02000000E+004 /
C3H6OH1-2<=>H+SC3H5OH                             +6.43000000E+030 -5.32000000E+000 +4.31000000E+004 !\Author: SP !\Ref: ZADOR AND MILLER, PROC. COMBUST. 34(2013) 519-526 !\Comment: WARNING 
PLOG /                           +5.26000000E-003 +1.95000000E-001 +1.90000000E+000 +1.70000000E+004 /
PLOG /                           +5.26000000E-003 +4.17000000E-002 +2.07000000E+000 +1.68000000E+004 /
PLOG /                           +1.00000000E-001 +1.65000000E+018 -2.96000000E+000 +2.80000000E+004 /
PLOG /                           +1.00000000E-001 +7.84000000E+017 -2.89000000E+000 +2.80000000E+004 /
PLOG /                           +1.00000000E+000 +1.79000000E+032 -6.51000000E+000 +3.84000000E+004 /
PLOG /                           +1.00000000E+000 +1.33000000E+032 -6.49000000E+000 +3.85000000E+004 /
PLOG /                           +1.00000000E+001 +4.40000000E+035 -7.05000000E+000 +4.31000000E+004 /
PLOG /                           +1.00000000E+001 +4.52000000E+035 -7.06000000E+000 +4.33000000E+004 /
PLOG /                           +1.00000000E+002 +6.43000000E+030 -5.32000000E+000 +4.31000000E+004 /
PLOG /                           +1.00000000E+002 +7.38000000E+030 -5.34000000E+000 +4.33000000E+004 /
C3H6OH1-1<=>C2H3OH+CH3                            +4.54000000E+034 -6.18000000E+000 +4.25000000E+004 !\Author: SP !\Ref: !ZADOR AND MILLER, PROC. COMBUST. 34(2013) 519-526 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +1.01000000E+039 -8.34000000E+000 +3.82000000E+004 /
PLOG /                           +1.00000000E+000 +5.67000000E+041 -8.80000000E+000 +4.19000000E+004 /
PLOG /                           +1.00000000E+001 +5.96000000E+040 -8.21000000E+000 +4.37000000E+004 /
PLOG /                           +1.00000000E+002 +4.54000000E+034 -6.18000000E+000 +4.25000000E+004 /
C3H6OH1-1<=>C2H5CHO+H                             +6.51000000E+035 -6.61000000E+000 +4.54000000E+004 !\Author: SP !\Ref: !ZADOR AND MILLER, PROC. COMBUST. 34(2013) 519-526 !\Comment: WARNING 
PLOG /                           +5.26000000E-003 +2.37000000E+031 -6.82000000E+000 +3.38000000E+004 /
PLOG /                           +1.00000000E-001 +1.76000000E+038 -8.33000000E+000 +3.95000000E+004 /
PLOG /                           +1.00000000E+000 +9.92000000E+041 -9.05000000E+000 +4.38000000E+004 /
PLOG /                           +1.00000000E+001 +6.47000000E+041 -8.64000000E+000 +4.63000000E+004 /
PLOG /                           +1.00000000E+002 +6.51000000E+035 -6.61000000E+000 +4.54000000E+004 /
C3H6OH1-1<=>C2H5+CH2O                             +6.57000000E+038 -7.85000000E+000 +4.86000000E+004 !\Author: SP !\Ref: !ZADOR AND MILLER, PROC. COMBUST. 34(2013) 519-526 !\Comment: WARNING 
PLOG /                           +5.26000000E-003 +5.39000000E+022 -4.80000000E+000 +2.87000000E+004 /
PLOG /                           +1.00000000E-001 +1.81000000E+031 -6.76000000E+000 +3.58000000E+004 /
PLOG /                           +1.00000000E+000 +3.16000000E+037 -8.17000000E+000 +4.19000000E+004 /
PLOG /                           +1.00000000E+001 +8.30000000E+040 -8.78000000E+000 +4.68000000E+004 /
PLOG /                           +1.00000000E+002 +6.57000000E+038 -7.85000000E+000 +4.86000000E+004 /
C3H6OH1-1<=>SC3H5OH+H                             +2.90000000E+036 -6.88000000E+000 +4.71000000E+004 !\Author: SP !\Ref: ZADOR AND MILLER, PROC. COMBUST. 34(2013) 519-526 !\Comment: WARNING 
PLOG /                           +5.26000000E-003 +5.96000000E+023 -4.84000000E+000 +3.00000000E+004 /
PLOG /                           +5.26000000E-003 +5.96000000E+022 -4.59000000E+000 +3.02000000E+004 /
PLOG /                           +1.00000000E-001 +2.88000000E+032 -6.84000000E+000 +3.67000000E+004 /
PLOG /                           +1.00000000E-001 +1.63000000E+032 -6.80000000E+000 +3.71000000E+004 /
PLOG /                           +1.00000000E+000 +7.10000000E+041 -9.13000000E+000 +4.48000000E+004 /
PLOG /                           +1.00000000E+000 +9.29000000E+038 -8.33000000E+000 +4.33000000E+004 /
PLOG /                           +1.00000000E+001 +1.63000000E+042 -8.86000000E+000 +4.77000000E+004 /
PLOG /                           +1.00000000E+001 +9.08000000E+042 -9.08000000E+000 +4.86000000E+004 /
PLOG /                           +1.00000000E+002 +2.90000000E+036 -6.88000000E+000 +4.71000000E+004 /
PLOG /                           +1.00000000E+002 +2.61000000E+037 -7.15000000E+000 +4.82000000E+004 /
NC3H7O<=>C2H5CHO+H                                +2.93000000E+035 -7.31000000E+000 +2.64000000E+004 !\Author: SP !\Ref: !ZADOR AND MILLER, PROC. COMBUST. 34(2013) 519-526 !\Comment: WARNING 
PLOG /                           +5.26000000E-003 +1.00000000E-004 +1.00000000E+000 +1.00000000E+004 /
PLOG /                           +1.00000000E-001 +3.14000000E+005 +3.20000000E-001 +1.39000000E+004 /
PLOG /                           +1.00000000E+000 +1.72000000E+019 -3.41000000E+000 +1.80000000E+004 /
PLOG /                           +1.00000000E+001 +1.44000000E+029 -5.92000000E+000 +2.22000000E+004 /
PLOG /                           +1.00000000E+002 +2.93000000E+035 -7.31000000E+000 +2.64000000E+004 /
NC3H7O<=>C2H5+CH2O                                +9.11000000E+023 -3.44000000E+000 +1.77000000E+004 !\Author: SP !\Ref: !ZADOR AND MILLER, PROC. COMBUST. 34(2013) 519-526 !\Comment: WARNING 
PLOG /                           +5.26000000E-003 +1.22000000E+032 -7.45000000E+000 +1.70000000E+004 /
PLOG /                           +1.00000000E-001 +1.19000000E+035 -7.95000000E+000 +1.84000000E+004 /
PLOG /                           +1.00000000E+000 +2.46000000E+035 -7.69000000E+000 +1.92000000E+004 /
PLOG /                           +1.00000000E+001 +5.18000000E+031 -6.18000000E+000 +1.91000000E+004 /
PLOG /                           +1.00000000E+002 +9.11000000E+023 -3.44000000E+000 +1.77000000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
O2+C3H6OH1-1<=>HO2+C2H5CHO                        +3.78000000E+020 -2.42900000E+000 +3.09000000E+003 !\Author: SD !\Ref: SAME  AS SC2H4OH+O2=CH3CHO+HO2 DA SILVA J.PHYS.CHEM.A 113 (2009) 8923-8933 !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +5.26000000E+017 -1.63700000E+000 +8.38000000E+002 /
PLOG /                           +1.00000000E-002 +5.26000000E+017 -1.63700000E+000 +8.38000000E+002 /
PLOG /                           +1.00000000E-001 +5.26000000E+017 -1.63700000E+000 +8.38000000E+002 /
PLOG /                           +1.00000000E+000 +5.28000000E+017 -1.63800000E+000 +8.39000000E+002 /
PLOG /                           +1.00000000E+001 +1.54000000E+018 -1.77100000E+000 +1.12000000E+003 /
PLOG /                           +1.00000000E+002 +3.78000000E+020 -2.42900000E+000 +3.09000000E+003 /
!C3H6OH1-2+O2<=>C2H5CHO+HO2                        +1.50000000E+012 +0.00000000E+000 +5.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: RATE BY MATUSHI IS HIGHER 
O2+C3H6OH1-3=>HO2+C3H5OH                          +1.50000000E+012 +0.00000000E+000 +5.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
O2+NC3H7O<=>HO2+C2H5CHO                           +1.75000000E+011 +0.00000000E+000 +1.74657300E+003 !\Author: SP !\Ref: ZABARNICK, S.; HEICKLEN, J. THE REACTIONS OF ALKOXY RADICALS WITH O2. II. N-C3H7O RADICALS INT. J. CHEM. KINET. 17, 477(1985), T<=>247 - 361K !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>RO2
!___________________________________________________________________________________________________________ 
C3H6OH1-2+O2<=>TQJC3H6OH                          +3.48700000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: JB !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL 

C3H6OH1-1+O2=C3H6OH-1O2                                1.00E+00    0.000       0 !WAGNON1@LLNL.GOV! AS SC2H4OH+O2=CC(O[O])O DA SILVA J.PHYS.CHEM.A 113 (2009) 8923-8933
PLOG /  1.00E-03  1.71E+53  -18.150    7140 /
PLOG /  1.00E-02  2.48E+77  -25.358   15100 /
PLOG /  1.00E-01 8.29E+102  -33.022   20630 /
PLOG /  1.00E+00 5.63E+109  -34.200   21190 /
PLOG /  1.00E+01  8.48E+94  -27.983   18390 /
PLOG /  1.00E+02  8.17E+87  -25.058   17750 /
C3H6OH1-3+O2=C3H6OH-3O2                                6.87E+16   -1.627     199 !WAGNON1@LLNL.GOV! AS P+O2=PO2 TABLE IV MIYOSHI INT.J.CHEM.KINET. 44 (2012) 59-74
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: WADDINGTON_MECHANISM_TQJC3H6OH
!___________________________________________________________________________________________________________ 

TQJC3H6OH=>C3H5OH+HO2                             +3.86000000E+007 +1.48000000E+000 +2.96310000E+004 !\Author: SP !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
TQJC3H6OH=>TQC3H6OI                               +2.61000000E+010 +2.90000000E-001 +2.03780000E+004 !\Author: SP !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
TQJC3H6OH=>QC3H5OHP                               +1.35000000E-003 +4.55000000E+000 +2.69850000E+004 !\Author: SP !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
TQJC3H6OH=>TQC3H5OHI                              +1.76000000E+003 +2.69000000E+000 +2.14980000E+004 !\Author: SP !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
TQJC3H6OH=>SC3H5OH+HO2                            +2.07000000E+013 +0.00000000E+000 +3.29990000E+004 !\Author: SP !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
TQC3H6OI=>CH3CHO+CH2O+OH                          +1.99000000E+019 -1.50000000E+000 +1.08200000E+004 !\Author: SP !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
QC3H5OHP=>C3H5OH+HO2                              +8.17000000E+009 +8.00000000E-001 +1.42310000E+004 !\Author: SP !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
QC3H5OHP=>CY(COC)COH+OH                           +2.26000000E+010 +5.60000000E-001 +1.04980000E+004 !\Author: SP !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
TQC3H5OHI=>CCY(COC)OH+OH                          +3.90000000E+012 +2.00000000E-002 +9.53200000E+003 !\Author: SP !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
TQC3H5OHI=>SC3H5OH+HO2                            +5.22000000E+014 -2.40000000E-001 +1.66580000E+004 !\Author: SP !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
QC3H5OHP+O2=QC3H5OHPO2                            +2.40200000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
QC3H5OHPO2<=>C3H4OHOOH1-3-2+HO2                   +3.87000000E+007 +1.58000000E+000 +2.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
QC3H5OHPO2<=>C3H4OH1KT2-3+OH                      +1.75400000E+002 +3.10000000E+000 +1.75000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H4OHOOH1-3-2=>CH2CO+CH2OH+OH                    +2.10000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: SP !\Ref: MIYOSHI !\Comment: WARNING 
C3H4OH1KT2-3=>CH2O+OH+CO+CH2OH                    +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TQC3H6OI=C3H6O1-2+HO2                             +1.37000000E+010 +8.50000000E-001 +3.72628000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 

C3H6OH-3O2=C3H6OH-3OOH-1                               2.90E+08    0.940   15800 !WAGNON1@LLNL.GOV! A*2(DEG) AS TABLE 5 1-5T RATE RULE VILLANO JPCA 115 (2011) 13425-13442
C3H6OH-1O2=SC3H5OH+HO2                                 4.16E+08    1.250   29600 !CT !VILLANO J. PHYS. CHEM. A 2011, 115, 13425   13442, TABLE 4
C3H6OH-1O2=C2H5CHO+HO2                                 1.00E+00    1.000       1 !CT !AS NUIG CH3CHOH-1O2=CH3CHO+HO2 QRRK BASED ON HPL DA SILVA J. PHYS. CHEM. A 2009, 113, 8923-8933!ANALOGY TO CH3CHOH-1O2=CH3CHO+HO2
PLOG /  1.00E-03  9.52E+13   -1.980   32300 /
PLOG /  1.00E-03  7.91E+11   -1.570    7570 /
PLOG /  1.00E-02  9.61E+14   -1.980   32300 /
PLOG /  1.00E-02  1.63E+13   -1.660    7800 /
PLOG /  1.00E-01  1.06E+16   -2.000   32400 /
PLOG /  1.00E-01  1.29E+16   -2.190    9230 /
PLOG /  1.00E+00  2.71E+17   -2.110   32700 /
PLOG /  1.00E+00  3.86E+20   -3.140   12600 /
PLOG /  1.00E+01  7.88E+20   -2.820   34500 /
PLOG /  1.00E+01  2.50E+21   -3.010   15100 /
PLOG /  1.00E+02  2.07E+24   -3.550   37600 /
PLOG /  1.00E+02  5.80E+17   -1.700   15100 /
C3H6OH-3O2=C3H5OH+HO2                                  4.16E+08    1.250   29600 !CT !VILLANO J. PHYS. CHEM. A 2011, 115, 13425   13442, TABLE 4
C3H6OH-3OOH-1+O2=C3KET13+HO2                           3.78E+20   -2.429    3090 !SILVA, J. PHYS. CHEM. A, VOL. 113, NO. 31, 2009, SAME AS SC2H4OH+O2<=>CH3CHO+HO2
PLOG /  1.00E-03  5.26E+17   -1.637     838 /
PLOG /  1.00E-02  5.26E+17   -1.637     838 /
PLOG /  1.00E-01  5.26E+17   -1.637     838 /
PLOG /  1.00E+00  5.28E+17   -1.638     839 /
PLOG /  1.00E+01  1.54E+18   -1.771    1120 /
PLOG /  1.00E+02  3.78E+20   -2.429    3090 /
C3H6OH-3OOH-1+O2=C3H6OH-3OOH-1O2                       1.00E+00    0.000       0 !WAGNON1@LLNL.GOV! AS SC2H4OH+O2=CC(O[O])O DA SILVA J.PHYS.CHEM.A 113 (2009) 8923-8933
PLOG /  1.00E-03  1.71E+53  -18.150    7140 /
PLOG /  1.00E-02  2.48E+77  -25.358   15100 /
PLOG /  1.00E-01 8.29E+102  -33.022   20630 /
PLOG /  1.00E+00 5.63E+109  -34.200   21190 /
PLOG /  1.00E+01  8.48E+94  -27.983   18390 /
PLOG /  1.00E+02  8.17E+87  -25.058   17750 /
C3H6OH-3OOH-1=C2H3OH+CH2O2H                            9.86E+10    0.930   31500 !WAGNON1@LLNL.GOV! AS C3H6OH1-1=C2H3OH+CH3 ZADOR PROC.COMBUST.INST. 34 (2013) 519-526
PLOG /  5.26E-03  3.30E+33   -7.170   33200 /
PLOG /  1.00E-01  1.01E+39   -8.340   38200 /
PLOG /  1.00E+00  5.67E+41   -8.800   41900 /
PLOG /  1.00E+01  5.96E+40   -8.210   43700 /
PLOG /  1.00E+02  4.54E+34   -6.180   42500 /
C3H6OH-3OOH-1O2=C3OHKET3-1+OH                          2.50E+10    0.000   21000 !6P
C3OHKET3-1=>OH+HOCHO+CH3CO                             1.50E+16    0.000   43000 !SAGGESE1@LLNL.GOV! 

!===========================================================================================================
!\SUBSPECIES: C3H5OH
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CH2CCH2OH+H<=>C3H5OH                              +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
C3H5-A+OH<=>C3H5OH                                 1.51E+13    0.000       0 !WAGNON1@LLNL.GOV! AS C3H5-A+OH=C3H5OH TSANG J.PHYS.CHEM.\Ref.DATA 20 (1991) 221
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
!DONG 0618!C3H5OH+H<=>CH2CCH2OH+H2                           +3.90000000E+005 +2.50000000E+000 +5.82100000E+003 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
!DONG 0618!C3H5OH+O2<=>CH2CCH2OH+HO2                         +4.00000000E+013 +0.00000000E+000 +6.06900000E+004 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
!DONG 0618!C3H5OH+OH<=>CH2CCH2OH+H2O                         +5.06000000E+012 +0.00000000E+000 +5.96000000E+003 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
!DONG 0618!C3H5OH+CH3<=>CH2CCH2OH+CH4                        +2.40000000E+011 +0.00000000E+000 +8.03000000E+003 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
!DONG 0618!CH2CCH2OH+H2O2<=>C3H5OH+HO2                       +3.01000000E+009 +0.00000000E+000 +2.58300000E+003 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 

C3H5OH+H<=>CH2CCH2OH+H2                           +4.81200000E+006 +2.16500000E+000 +9.67858000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C3H5OH+O2<=>CH2CCH2OH+HO2                         +1.00000000E+013 +0.00000000E+000 +5.87700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H5OH+OH<=>CH2CCH2OH+H2O                         +3.00000000E+006 +1.97000000E+000 +2.84800000E+003 !\Author: WARNING !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: WARNING 
C3H5OH+CH3<=>CH2CCH2OH+CH4                        +8.15000000E+005 +1.87000000E+000 +1.37900000E+004 !\Author: SD !\Ref: WANG, KUN, ET AL. "FUNDAMENTALLY-BASED KINETIC MODEL FOR PROPENE PYROLYSIS." COMBUSTION AND FLAME 162.12(2015) !\Comment: WARNING 
CH2CCH2OH+H2O2<=>C3H5OH+HO2                       +1.56000000E+004 +2.82000000E+000 +2.44279000E+004 !\Author: SD !\Ref: ANALOGY WITH C3H6+HO2 !\Comment: WARNING 

!ALLYLIC ALPHA SITE ON allyl alcohol
C3H5OH+O2<=>CH2CHCHOH+HO2                          2.44E+13    0.000   34374 !WAGNON1@LLNL.GOV! A*EXP(-2) FOR ALLYLIC, A=DEG*9E+13, E=DH298+2RT, T=1000K
C3H5OH+H<=>CH2CHCHOH+H2                            1.19E+09    1.580    2210 !WAGNON1@LLNL.GOV! SUP.MAT. CBS-QB3 DEBRUYCKER COMBUST.FLAME 171 (2016) 237-251
C3H5OH+O<=>CH2CHCHOH+OH                            9.54E+01    3.374   -1826 !WAGNON1@LLNL.GOV! A*0.66(DEG),E-2KCAL/MOL FOR WEAKER BDE, AS C3H6+O=C3H5-A+OH TABLE S3 CAVALLOTTI J.PHYS.CHEM.LETT. 5 (2014) 4213-4218
C3H5OH+OH<=>CH2CHCHOH+H2O                          2.02E+06    2.200   -1437 !WAGNON1@LLNL.GOV! E-1KCAL/MOL FOR WEAKER BDE, AS C4H8-1+OH=C4H71-3+H2O VASU J.PHYS.CHEM.A 115 (2011) 2549-2556
C3H5OH+HO2<=>CH2CHCHOH+H2O2                        2.70E-01    3.790    5800 !WAGNON1@LLNL.GOV! SUP.MAT. CBS-QB3 DEBRUYCKER COMBUST.FLAME 171 (2016) 237-251
C3H5OH+CH3<=>CH2CHCHOH+CH4                         5.56E+02    3.010    4943 !WAGNON1@LLNL.GOV! SUP.MAT. CBS-QB3 DEBRUYCKER COMBUST.FLAME 171 (2016) 237-251

!O-H SITE ON allyl alcohol
C3H5OH+O2<=>C3H5O+HO2                              9.00E+13    0.000   59774 !WAGNON1@LLNL.GOV! A=DEG*9E+13, E=DH298+2RT, T=1000K
C3H5OH+H<=>C3H5O+H2                                3.46E+06    2.090   10025 !WAGNON1@LLNL.GOV! SUP.MAT. CBS-QB3 DEBRUYCKER COMBUST.FLAME 171 (2016) 237-251
C3H5OH+O<=>C3H5O+OH                                1.46E-03    4.730    1727 !WAGNON1@LLNL.GOV! AS C2H5OH+O=C2H5O+OH WU J.PHYS.CHEM.A 111 (2007) 6693-6703
C3H5OH+OH<=>C3H5O+H2O                              5.81E-03    4.280   -3561 !WAGNON1@LLNL.GOV! AS C2H5OH+OH=C2H5O+H2O SIVARAMAKRISHNAN J.PHYS.CHEM.A 114 (2010) 9425-9439
C3H5OH+HO2<=>C3H5O+H2O2                            6.47E-07    5.300   10533 !WAGNON1@LLNL.GOV! AS C2H5OH+HO2=C2H5O+H2O2 MITTAL COMBUST.FLAME 161 (2014) 1164-1171
C3H5OH+CH3<=>C3H5O+CH4                             2.92E+02    2.940    7410 !WAGNON1@LLNL.GOV! SUP.MAT. CBS-QB3 DEBRUYCKER COMBUST.FLAME 171 (2016) 237-251

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
CH2CCH2OH<=>C2H2+CH2OH                            +2.16300000E+040 -8.31000000E+000 +4.51100000E+004 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
CH2CCH2OH<=>CH2O+C2H3                             +9.24000000E+010 +8.70000000E-001 +3.04600000E+004 !\Author: WARNING !\Ref: ANALOGY WITH CURRAN 2006 ALKYL DECOMP !\Comment: WARNING 
CH2CCH2OH<=>C2H3CHO+H                             +1.11000000E+011 +4.80000000E-001 +3.67700000E+004 !\Author: WARNING !\Ref: ANALOGY WITH CURRAN 2006 ALKYL DECOMP !\Comment: WARNING 
CH2CCH2OH<=>HCO+C2H4                              +9.24000000E+010 +8.70000000E-001 +3.04600000E+004 !\Author: WARNING !\Ref: ANALOGY WITH CURRAN 2006 ALKYL DECOMP !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C3H5O+O2<=>C2H3CHO+HO2                            +1.00000000E+012 +0.00000000E+000 +6.00000000E+003 !\Author: WARNING !\Ref: ACETALDEHYDE ANALOG !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: C3H5OH
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: SC3H5OH
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
SC3H5OH<=>C2H5CHO                                 +8.59000000E+011 +3.18000000E-001 +5.59000000E+004 !\Author: WARNING !\Ref: SARATHY ET AL. CNF2012 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTIONLUMPED
!___________________________________________________________________________________________________________ 
SC3H5OH+O2=>C2H3CHO+H+HO2                         +3.00000000E+013 +0.00000000E+000 +3.91000000E+004 !\Author: WARNING !\Ref: BILL SEPT 2013 AND WARNING !\Comment: FOR SC3H5OH, ASSUME THAT THE ALLYL HYDROGEN IS ABSTRACTED AND THEN C2H3CHO+H ARE F 
SC3H5OH+OH=>C2H3CHO+H+H2O                         +3.10000000E+006 +2.00000000E+000 -2.98000000E+002 !\Author: WARNING !\Ref: TSANG 1991 !\Comment: WARNING 
SC3H5OH+H=>C2H3CHO+H+H2                           +1.73000000E+005 +2.50000000E+000 +2.49200000E+003 !\Author: WARNING !\Ref: TSANG 1991 !\Comment: WARNING 
SC3H5OH+O=>C2H3CHO+H+OH                           +1.75000000E+012 +7.00000000E-001 +5.88400000E+003 !\Author: WARNING !\Ref: TSANG 1991 !\Comment: WARNING 
SC3H5OH+HO2=>C2H3CHO+H+H2O2                       +9.60000000E+003 +2.60000000E+000 +1.39000000E+004 !\Author: WARNING !\Ref: TSANG 1991 !\Comment: WARNING 
SC3H5OH+CH3=>C2H3CHO+H+CH4                        +2.21000000E+000 +3.50000000E+000 +5.67500000E+003 !\Author: WARNING !\Ref: TSANG 1991 !\Comment: WARNING 
SC3H5OH+CH3O2=>C2H3CHO+H+CH3O2H                   +9.60000000E+003 +2.60000000E+000 +1.39000000E+004 !\Author: WARNING !\Ref: USE HO2 ABSTRACTION RATE CONSTANT !\Comment: WARNING 
SC3H5OH+CH3O=>C2H3CHO+H+CH3OH                     +8.30000000E+010 +0.00000000E+000 +2.60000000E+003 !\Author: WARNING !\Ref: LITERATURE SOURCE UNKNOWN !\Comment: USED SECONDARY ALKYL H RATE FOR N-ALKANE+CH3O, REDUCED EA BY DIFFERENCE BETWEEN BD 
SC3H5OH+HO2<=>C2H5CHO+HO2                         +1.49000000E+005 +1.67000000E+000 +6.81000000E+003 !\Author: WARNING !\Ref: DASILVA, BOZZELLI, CHEM. PHYS. LETT. 483(2009) 25?9. !\Comment: WARNING 
SC3H5OH+HOCHO<=>C2H5CHO+HOCHO                     +2.81000000E-002 +3.28600000E+000 -4.50900000E+003 !\Author: WARNING !\Ref: DASILVA, ANGEW. CHEM. 122(2010) 7685?687 !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: SC3H5OH
!===========================================================================================================
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: NC3H7OH
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: IC3H7OH
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
!DONG 0525!IC3H7OH(+M)<=>C3H6+H2O(+M)                        +5.00000000E+013 +0.00000000E+000 +6.80000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!LOW /                                             +4.82060000E+094 -2.24640000E+001 +8.35300000E+004 /
!DONG 0525!TROE /                           +2.82460000E-004 +3.61970000E+002 +1.28730000E+004 +4.49100000E+003 /
IC3H7OH=C3H6+H2O                                       8.52E+06    2.120   60935 !J. S. HEYNE ET AL., 2015, ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE, 229(6), PP.881-907, SAGGESE1@LLNL.GOV 
PLOG /  6.58E-02  6.82E+51  -11.460   80320 /
PLOG /  1.00E+00  2.60E+44   -9.130   77863 /

!DONG 0525!IC3H7OH(+M)<=>CH3+SC2H4OH(+M)                     +1.34500000E+024 -2.27400000E+000 +8.69600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!LOW /                                             +2.85200000E+069 -1.48900000E+001 +9.46500000E+004 /
!DONG 0525!TROE /                           +3.36000000E-001 +7.74500000E+002 +9.68400000E+009 +8.21400000E+009 /
IC3H7OH=CH3+SC2H4OH                                    8.00E+29   -3.750   91005 !BUI ET AL., J. CHEM. PHYS. 117, 11188 (2002), SAGGESE1@LLNL.GOV 
PLOG /  6.58E-02  1.60E+81  -19.560  111115 /
PLOG /  1.00E+00  6.30E+73  -17.060  109841 /

IC3H7OH(+M)<=>IC3H7+OH(+M)                        +6.43000000E+022 -1.87000000E+000 +9.63200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
LOW /                                             +1.90000000E+078 -1.75000000E+001 +1.08000000E+005 /
TROE /                           +8.67660000E-005 +2.93410000E+002 +1.97490000E+004 +1.67460000E+003 /
H+TC3H6OH<=>IC3H7OH                               +4.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
H+C3H6OH2-1<=>IC3H7OH                             +4.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
H+IC3H7O<=>IC3H7OH                                +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH_R_ABSTRACTION
!___________________________________________________________________________________________________________ 
!DONG 0525!IC3H7OH+O2<=>C3H6OH2-1+HO2                        +4.20000000E+013 +0.00000000E+000 +5.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!IC3H7OH+O2<=>TC3H6OH+HO2                          +7.00000000E+012 +0.00000000E+000 +4.37000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!IC3H7OH+OH<=>C3H6OH2-1+H2O                        +1.05400000E+010 +9.70000000E-001 +1.58600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!IC3H7OH+OH<=>TC3H6OH+H2O                          +1.80500000E+003 +2.89000000E+000 -2.61100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!IC3H7OH+OH<=>IC3H7O+H2O                           +5.88000000E+002 +2.82000000E+000 -5.85000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!IC3H7OH+H<=>C3H6OH2-1+H2                          +1.44400000E+007 +2.00000000E+000 +6.52600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!IC3H7OH+H<=>TC3H6OH+H2                            +3.61000000E+006 +2.00000000E+000 +2.66300000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!IC3H7OH+H<=>IC3H7O+H2                             +9.45000000E+002 +3.14000000E+000 +8.70000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!IC3H7OH+O<=>C3H6OH2-1+OH                          +1.96000000E+006 +2.43000000E+000 +4.75000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!IC3H7OH+O<=>TC3H6OH+OH                            +5.13000000E+011 +2.10000000E-001 +4.89000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!IC3H7OH+CH3<=>C3H6OH2-1+CH4                       +9.04000000E-001 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!IC3H7OH+CH3<=>TC3H6OH+CH4                         +9.56000000E-004 +4.97000000E+000 +5.71000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!IC3H7OH+CH3<=>IC3H7O+CH4                          +1.02000000E+000 +3.57000000E+000 +8.22000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!IC3H7OH+CH3O<=>C3H6OH2-1+CH3OH                    +3.00000000E+011 +0.00000000E+000 +7.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!IC3H7OH+CH3O<=>TC3H6OH+CH3OH                      +4.34000000E+011 +0.00000000E+000 +6.46000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!IC3H7OH+HO2<=>C3H6OH2-1+H2O2                      +1.13000000E-002 +4.52000000E+000 +1.38500000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!IC3H7OH+HO2<=>TC3H6OH+H2O2                        +1.25000000E-005 +5.26000000E+000 +7.46800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!IC3H7OH+HO2<=>IC3H7O+H2O2                         +6.47000000E-007 +5.30000000E+000 +1.05000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!IC3H7OH+CH3O2<=>C3H6OH2-1+CH3O2H                  +1.68000000E+013 +0.00000000E+000 +2.04400000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0525!IC3H7OH+CH3O2<=>TC3H6OH+CH3O2H                    +2.80000000E+012 +0.00000000E+000 +1.48600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

IC3H7OH+O2=C3H6OH2-1+HO2                               5.40E+14    0.000   57574 !WAGNON1@LLNL.GOV! A=DEG*9E+13, E=DH298+2RT, T=1000K
IC3H7OH+O2=TC3H6OH+HO2                                 9.00E+13    0.000   49474 !WAGNON1@LLNL.GOV! A=DEG*9E+13, E=DH298+2RT, T=1000K
IC3H7OH+O2=IC3H7O+HO2                                  9.00E+13    0.000   61674 !WAGNON1@LLNL.GOV! A=DEG*9E+13, E=DH298+2RT, T=1000K
IC3H7OH+OH=C3H6OH2-1+H2O                               5.41E+06    2.000     513 !GAMMA PRIM, MC GILLEN ET AL., J. PHYS. CHEM. A 2013, 117, 4636-4656 ISOBUT ANALOGY, SAGGESE1@LLNL.GOV
IC3H7OH+OH=TC3H6OH+H2O                                 9.82E+03    2.640   -2561 !BETA TERT, MC GILLEN ET AL., J. PHYS. CHEM. A 2013, 117, 4636-4656 ISOBUT ANALOGY, SAGGESE1@LLNL.GOV
IC3H7OH+OH=IC3H7O+H2O                                  1.26E+06    2.000      46 !MC GILLEN ET AL., J. PHYS. CHEM. A 2013, 117, 4636-4656, SAGGESE1@LLNL.GOV
IC3H7OH+H=C3H6OH2-1+H2                                 1.44E+07    2.000    6530 !FRASSOLDATI 2011
IC3H7OH+H=TC3H6OH+H2                                   3.61E+06    2.000    2660 
IC3H7OH+H=IC3H7O+H2                                    9.45E+02    3.140    8701 
IC3H7OH+O=C3H6OH2-1+OH                                 1.96E+06    2.430    4750 !
IC3H7OH+O=TC3H6OH+OH                                   5.13E+11    0.210    4890 
IC3H7OH+O=IC3H7O+OH                                    1.58E+07    2.000    4448 
IC3H7OH+CH3=C3H6OH2-1+CH4                              9.04E-01    3.650    7154 !
IC3H7OH+CH3=TC3H6OH+CH4                                9.56E-04    4.970    5710 
IC3H7OH+CH3=IC3H7O+CH4                                 2.04E+00    3.570    7721 
IC3H7OH+CH3O=C3H6OH2-1+CH3OH                           3.00E+11    0.000    7000 !
IC3H7OH+CH3O=TC3H6OH+CH3OH                             4.34E+11    0.000    6460 
IC3H7OH+CH3O=IC3H7O+CH3OH                              2.30E+10    0.000    2900 
IC3H7OH+HO2=C3H6OH2-1+H2O2                             1.68E+13    0.000   20440 !JOHNSON ET AL., ENERGY & FUELS 23 (2009) 5886-5898
IC3H7OH+HO2=TC3H6OH+H2O2                               2.45E-05    5.260    7475 !\AUTHOR: SAGGESE1@LLNL.GOV!\REF: MITTAL ET AL., COMBUSTION AND FLAME, 2014
IC3H7OH+HO2=IC3H7O+H2O2                                1.11E-01    3.874   16416 !ZHAO, HUANG, J. PHYS. CHEM. A 2019, 123, 971-982, ETHANOL ANALOGY, SAGGESE1@LLNL.GOV
IC3H7OH+CH3O2=C3H6OH2-1+CH3O2H                         1.68E+13    0.000   20440 !
IC3H7OH+CH3O2=TC3H6OH+CH3O2H                           2.80E+12    0.000   14860 
IC3H7OH+CH3O2=IC3H7O+CH3O2H                            2.50E+12    0.000   24000 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C3H6OH2-1<=>C2H3OH+CH3                            +2.72000000E+032 -5.66000000E+000 +4.04000000E+004 !\Author: SP !\Ref: ZADOR AND MILLER, PROC. COMBUST. 34(2013) 519-526 !\Comment: WARNING 
PLOG /                           +5.26000000E-003 +2.81000000E+015 -2.39000000E+000 +2.33000000E+004 /
PLOG /                           +1.00000000E-001 +1.72000000E+026 -4.99000000E+000 +3.00000000E+004 /
PLOG /                           +1.00000000E+000 +2.27000000E+033 -6.63000000E+000 +3.58000000E+004 /
PLOG /                           +1.00000000E+001 +2.83000000E+036 -7.14000000E+000 +4.01000000E+004 /
PLOG /                           +1.00000000E+002 +2.72000000E+032 -5.66000000E+000 +4.04000000E+004 /
IC3H5OH+H<=>C3H6OH2-1                             +6.25000000E+011 +5.10000000E-001 +4.02000000E+003 !\Author: WARNING !\Ref: BASED ON IC4H8+H<=>IC4H9 !\Comment: WARNING 
TC3H6OH<=>CH3COCH3+H                              +3.30000000E+029 -4.72000000E+000 +3.97000000E+004 !\Author: SP !\Ref: ZADOR AND MILLER, PROC. COMBUST. 34(2013) 519-526 !\Comment: WARNING 
PLOG /                           +5.26000000E-003 +7.83000000E+032 -6.98000000E+000 +3.28000000E+004 /
PLOG /                           +1.00000000E-001 +1.93000000E+038 -8.12000000E+000 +3.80000000E+004 /
PLOG /                           +1.00000000E+000 +1.57000000E+040 -8.34000000E+000 +4.13000000E+004 /
PLOG /                           +1.00000000E+001 +3.01000000E+037 -7.25000000E+000 +4.22000000E+004 /
PLOG /                           +1.00000000E+002 +3.30000000E+029 -4.72000000E+000 +3.97000000E+004 /
TC3H6OH<=>IC3H5OH+H                               +4.81000000E+035 -6.59000000E+000 +4.93000000E+004 !\Author: SP !\Ref: ZADOR AND MILLER, PROC. COMBUST. 34(2013) 519-526 !\Comment: WARNING 
PLOG /                           +5.26000000E-003 +7.48000000E+014 -2.41000000E+000 +2.55000000E+004 /
PLOG /                           +1.00000000E-001 +1.91000000E+031 -6.54000000E+000 +3.76000000E+004 /
PLOG /                           +1.00000000E+000 +2.48000000E+038 -8.14000000E+000 +4.44000000E+004 /
PLOG /                           +1.00000000E+001 +1.66000000E+041 -8.53000000E+000 +4.94000000E+004 /
PLOG /                           +1.00000000E+002 +4.81000000E+035 -6.59000000E+000 +4.93000000E+004 /
C3H5-T+OH<=>IC3H5OH                               +5.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: REVERSE BY ANALOGY HCO+OH -->PRODUCTS !\Comment: WARNING 
IC3H7O=CH3CHO+CH3                                 +6.42000000E+027 -4.63000000E+000 +1.84000000E+004 !\Author: WARNING !\Ref: ZADOR AND MILLER, PROC. COMBUST. 34(2013) 519-526 !\Comment: WARNING 
PLOG /                           +5.26000000E-003 +1.76000000E+031 -7.20000000E+000 +1.64000000E+004 /
PLOG /                           +1.00000000E-001 +1.18000000E+035 -7.97000000E+000 +1.80000000E+004 /
PLOG /                           +1.00000000E+000 +8.10000000E+035 -7.88000000E+000 +1.89000000E+004 /
PLOG /                           +1.00000000E+001 +1.09000000E+034 -6.93000000E+000 +1.92000000E+004 /
PLOG /                           +1.00000000E+002 +6.42000000E+027 -4.63000000E+000 +1.84000000E+004 /
IC3H7O=CH3COCH3+H                                 +1.37000000E+034 -7.02000000E+000 +2.28000000E+004 !\Author: WARNING !\Ref: ZADOR AND MILLER, PROC. COMBUST. 34(2013) 519-526 !\Comment: WARNING 
PLOG /                           +5.26000000E-003 +4.26000000E+004 +1.50000000E-001 +8.99000000E+003 /
PLOG /                           +1.00000000E-001 +2.91000000E+014 -2.31000000E+000 +1.30000000E+004 /
PLOG /                           +1.00000000E+000 +9.13000000E+021 -4.18000000E+000 +1.60000000E+004 /
PLOG /                           +1.00000000E+001 +4.64000000E+028 -5.79000000E+000 +1.92000000E+004 /
PLOG /                           +1.00000000E+002 +1.37000000E+034 -7.02000000E+000 +2.28000000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C3H6OH2-1+O2<=>IQJC3H6OH                          +6.86300000E+016 -1.62700000E+000 +1.99000000E+002 !\Author: SP !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL 
IQJC3H6OH=>IQC3H5OHPJC                            +1.92000000E+005 +2.03000000E+000 +2.01900000E+004 !\Author: SP !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
IQJC3H6OH<=>IQC3H6OT   +1.1800000E+010  0.3900000E+000 +2.0322000E+004   !\AUTHOR: SP !\Ref: Lizardo-Huerta, J. C., et al. Physical Chemistry Chemical Physics 18.17 (2016): 12231-12251.!\COMMENT:
IQJC3H6OH=>IQC3H5OHPJ                             +1.53000000E+005 +2.05000000E+000 +2.23000000E+004 !\Author: SP !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: 2KCAL/MOL INCREASED 
IQJC3H6OH=>IC3H5OH+HO2                            +3.65000000E+013 -1.50000000E-001 +3.47900000E+004 !\Author: SP !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
IQC3H5OHPJC=>C(OH)CY(COC)+OH                      +8.62000000E+010 +5.60000000E-001 +9.18400000E+003 !\Author: SP !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C(OH)CY(COC)+OH=>CH3CHCO+OH+H2O                   +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: SP !\Ref: C4H7OH2O1-2+OH=>H2O+CH3+CH2COHCHO !\Comment: WARNING 
C(OH)CY(COC)+HO2=>CH3CHCO+OH+H2O2                 +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: SP !\Ref: C4H7OH2O1-2+HO2=>H2O2+CH3+CH2COHCHO !\Comment: WARNING 
IQC3H5OHPJC=>IC3H5OH+HO2                          +5.46000000E+010 +9.20000000E-001 +1.48810000E+004 !\Author: SP !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
IQC3H5OHPJC+O2=C3KET21+HO2                        +3.36600000E+010 +7.61000000E-001 -1.63586000E+003 !\Author: WARNING !\Ref: J. ZADOR ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 271-277 !\Comment: PQC4H7OHS-2+O2<=>NC4KET21+HO2 
IQC3H6OT=>CH3CHO+CH2O+OH                         +8.69000000E+021 -2.37000000E+000 +1.26290000E+004 !\Author: SP !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: PQC4H8OS=>C2H5CHO+CH2O+OH 
IQC3H5OHPJ=>CY(CCOC)OH+OH                         +2.31000000E+015 -1.08000000E+000 +2.16170000E+004 !\Author: SP !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
IQC3H5OHPJ=>C2H3OH+CH2O+OH                        +3.08100000E+013 +0.00000000E+000 +2.62530600E+004 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
IQC3H5OHPJ+O2=QC3H5OHPO2                          +1.22000000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC3H5OH+OH=SC3H4OH+H2O                            +2.10000000E+007 +1.77000000E+000 +2.71000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC3H5OH+HO2=SC3H4OH+H2O2                          +7.71000000E-002 +4.40000000E+000 +1.35470000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IQJC3H6OH<=>CHOCOHCH3+OH                          +2.72000000E+029 -5.41000000E+000 +4.64860000E+004 !\Author: SP !\Ref: H. SUN, ET AL., J. PHYS. CHEM. A., 2007, 111, 4974 !\Comment: WARNING 
IQC3H5OHPJC=IQC3H6OT                              +1.68000000E-013 +7.58000000E+000 +2.54590000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IQC3H6OT=C3H6O1-2+HO2                             +1.05000000E+012 +3.30000000E-001 +3.57060000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TC3H6OH+O2<=>CH3COCH3+HO2                         +2.23000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: J. MENDES, C-W ZHOU, AND H. J. CURRAN. JPCA, 2014, 118, 12089-12104. !\Comment: WARNING 
CHOCOHCH3+OH=>CH3CHCO+OH+H2O                      +6.13299000E+004 +2.65000000E+000 -4.58640000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CY(COC)COH+OH=>C2H2OH+CH2O+H2O                    +1.26000000E+003 +2.97000000E+000 -2.66060000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CY(COC)COH+HO2=>C2H2OH+CH2O+H2O2                  +1.40000000E-005 +5.26000000E+000 +8.26790000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CY(COC)COH+OH=>C2H3CHO+OH+H2O                     +5.66000000E+002 +2.93000000E+000 -4.03940000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CY(COC)COH+OH=>CH2CO+CH2OH+H2O                    +2.26000000E+003 +2.73000000E+000 -4.68800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CCY(COC)OH+OH=>CH3CHCO+OH+H2O                     +2.26000000E+003 +2.73000000E+000 -4.68800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CY(CCOC)OH+OH=>CH2O+C2H2OH+H2O                    +5.66000000E+002 +2.93000000E+000 -4.03940000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CY(CCOC)OH+OH=>CH2O+CH2CO+H+H2O                   +2.26000000E+003 +2.73000000E+000 -4.68800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CY(COC)COH+HO2=>C2H3CHO+OH+H2O2                   +1.81000000E-001 +3.98000000E+000 +9.05670000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CY(COC)COH+HO2=>CH2CO+CH2OH+H2O2                  +8.60000000E+000 +3.46000000E+000 +9.73232600E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CCY(COC)OH+HO2=>CH3CHCO+OH+H2O2                   +8.60000000E+000 +3.46000000E+000 +9.73232600E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CY(CCOC)OH+HO2=>CH2O+C2H2OH+H2O2                  +1.81000000E-001 +3.98000000E+000 +9.05670000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CY(CCOC)OH+HO2=>CH2O+CH2CO+H+H2O2                 +8.60000000E+000 +3.46000000E+000 +9.73232600E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TQC3H5OHI+O2<=>C3KET12+HO2                        +1.68300000E+010 +7.61000000E-001 -1.63586000E+003 !\Author: WARNING !\Ref: J. ZADOR ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 271-277 !\Comment: WARNING 
TQC3H5OHIO2<=>TQC3H5OHIQ-I                        +2.56000000E+012 -1.30000000E-001 +3.43600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TQC3H5OHIQ-I=>HO2CHO+CH3CHO+OH                    +5.81900000E+005 +2.40000000E+000 +2.27900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TQC3H5OHIQ-I<=>C3KET12+HO2                        +1.82900000E+010 +7.90000000E-001 +1.51000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TQC3H5OHIO2<=>TQC3H5OHIQ-P                        +5.69000000E+008 +7.80000000E-001 +2.18500000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TQC3H5OHIQ-P<=>C2H3COHOOH+HO2                     +1.83000000E+010 +7.90000000E-001 +1.51000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TQC3H5OHIQ-P=>C2H3OOH+HOCHO+OH                    +5.38000000E+011 +7.00000000E-002 +2.48000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TQC3H5OHIQ-P<=>COHOOHCY(COC)+OH                   +2.28000000E+008 +1.29000000E+000 +9.89000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TQC3H5OHIQ-P<=>OHCY(COCC)OOH+OH                   +4.58000000E+015 -1.08000000E+000 +1.84400000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H3COHOOH=>HOCHO+C2H3+OH                         +1.59000000E+020 -1.50000000E+000 +4.28794600E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H3OOH=>CH2CO+H+OH                               +1.59000000E+020 -1.50000000E+000 +4.28794600E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
COHOOHCY(COC)=>HOCHO+CH2CHO+OH                    +1.59000000E+020 -1.50000000E+000 +4.28794600E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
OHCY(COCC)OOH=>HOCHO+CH2CHO+OH                    +1.59000000E+020 -1.50000000E+000 +4.28794600E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TQC3H5OHIO2<=>TQC3H5OHTO2                         +2.95600000E+009 +4.00000000E-002 +1.63500000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TQC3H5OHTO2<=>OHCOCOOHCH3+OH                      +1.20000000E+010 +3.50000000E-001 +1.57000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
OHCOCOOHCH3=>CO+CH3CHO+2OH                        +1.59000000E+020 -1.50000000E+000 +4.28794600E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IQC3H5OHPJO2<=>IQC3H5OTQ-I                        +4.13000000E+007 +1.00000000E+000 +2.10700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IQC3H5OTQ-I=>OH+CH2O+HO2CH2CHO                    +1.20000000E+010 +3.50000000E-001 +1.57000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
HO2CH2CHO=>OH+CH2O+HCO                            +1.59000000E+020 -1.50000000E+000 +4.28794600E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IQC3H5OHPJO2<=>IQC3H5OHQ-SJ                       +8.20400000E+010 +1.30000000E-001 +1.94700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IQC3H5OHQ-SJ<=>CHOCOHCH2OOH+OH                    +1.20000000E+010 +3.50000000E-001 +1.57000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CHOCOHCH2OOH=>OH+CH2O+H+CHOCHO                    +1.59000000E+020 -1.50000000E+000 +4.28794600E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>ALKENE+HO2
!___________________________________________________________________________________________________________ 
IC3H7O+O2<=>CH3COCH3+HO2                          +9.09000000E+009 +0.00000000E+000 +3.90000000E+002 !\Author: WARNING !\Ref: BALLA ET AL., CHEM. PHYSICS, 99, 323(1985) !\Comment: WARNING 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: IC3H7OH
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: CH3COCH3
!\MECHCOMMENTS: ACETONE HAS NOLOW-TEMPERATURE CHEMISTRY
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CH3COCH3<=>CH3CO+CH3                              +9.40000000E+028 -3.66900000E+000 +8.90228000E+004 !\Author: WARNING !\Ref: SAXENA ET AL. PROCEEDINGS. 32 123-130(2009) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.05000000E+058 -1.27960000E+001 +1.00030100E+005 /
PLOG /                           +1.00000000E-001 +3.30000000E+051 -1.05740000E+001 +9.82212000E+004 /
PLOG /                           +1.00000000E+000 +1.31000000E+042 -7.65700000E+000 +9.46606000E+004 /
PLOG /                           +1.00000000E+001 +2.16000000E+033 -4.98900000E+000 +9.09165000E+004 /
PLOG /                           +1.00000000E+002 +9.40000000E+028 -3.66900000E+000 +8.90228000E+004 /
CH3COCH2+H<=>CH3COCH3                             +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WJP !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
CH3COCH3+OH<=>CH3COCH2+H2O                        +1.25000000E+005 +2.48300000E+000 +4.45000000E+002 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
CH3COCH3+H<=>CH3COCH2+H2                          +9.80000000E+005 +2.43000000E+000 +5.16000000E+003 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
CH3COCH3+O<=>CH3COCH2+OH                          +5.13000000E+011 +2.11000000E-001 +4.89000000E+003 !\Author: WARNING !\Ref: FIT TO DATA ON NIST STANDARD \RefERENCE DATABASE 17 -2Q98 !\Comment: WARNING 
CH3COCH3+CH3<=>CH3COCH2+CH4                       +3.96000000E+011 +0.00000000E+000 +9.78400000E+003 !\Author: WARNING !\Ref: S. PICHON, COMBUSTION AND FLAME(2009) 156(2) 494?04. !\Comment: WARNING 
CH3COCH3+CH3O<=>CH3COCH2+CH3OH                    +4.34000000E+011 +0.00000000E+000 +6.46000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
CH3COCH3+O2<=>CH3COCH2+HO2                        +6.03000000E+013 +0.00000000E+000 +4.85000000E+004 !\Author: WARNING !\Ref: A-FACTOR BY ANALOGY WITH C2H6+O2 AND EA FROM DHRXN !\Comment: WARNING 
CH3COCH3+HO2<=>CH3COCH2+H2O2                      +1.70000000E+013 +0.00000000E+000 +2.04600000E+004 !\Author: WARNING !\Ref: ANALOGY TO ETHANE !\Comment: WARNING 
CH3COCH3+CH3O2<=>CH3COCH2+CH3O2H                  +1.70000000E+013 +0.00000000E+000 +2.04600000E+004 !\Author: WARNING !\Ref: ANALOGY TO ETHANE !\Comment: WARNING 
CH3COCH3+CH3COCH2O2<=>CH3COCH2+C3KET21            +1.00000000E+011 +0.00000000E+000 +5.00000000E+003 !\Author: WARNING !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
CH3COCH2=CH2CO+CH3                                +7.04000000E+036 -6.61000000E+000 +5.55000000E+004 !\Author: SP !\Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +5.41000000E+058 -1.45400000E+001 +5.56700000E+004 /
PLOG /                           +9.86900000E-004 +1.04000000E+046 -1.11600000E+001 +4.74700000E+004 /
PLOG /                           +9.86900000E-003 +5.78000000E+057 -1.38900000E+001 +5.68800000E+004 /
PLOG /                           +9.86900000E-003 +1.55000000E+042 -9.70000000E+000 +4.71000000E+004 /
PLOG /                           +9.86900000E-002 +4.72000000E+055 -1.29200000E+001 +5.80100000E+004 /
PLOG /                           +9.86900000E-002 +7.49000000E+036 -7.81000000E+000 +4.62200000E+004 /
PLOG /                           +1.31300000E-001 +2.02000000E+055 -1.27700000E+001 +5.81200000E+004 /
PLOG /                           +1.31300000E-001 +1.23000000E+036 -7.53000000E+000 +4.60700000E+004 /
PLOG /                           +9.86900000E-001 +1.28000000E+052 -1.15400000E+001 +5.87500000E+004 /
PLOG /                           +9.86900000E-001 +3.99000000E+030 -5.63000000E+000 +4.50100000E+004 /
PLOG /                           +9.86900000E+000 +1.74000000E+046 -9.54000000E+000 +5.83700000E+004 /
PLOG /                           +9.86900000E+000 +3.96000000E+024 -3.58000000E+000 +4.37400000E+004 /
PLOG /                           +9.86900000E+001 +7.04000000E+036 -6.61000000E+000 +5.55000000E+004 /
PLOG /                           +9.86900000E+001 +3.50000000E+019 -1.89000000E+000 +4.25800000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+HO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CH3COCH2+HO2=CH3COCH2O+OH                         +8.05000000E+017 -1.50300000E+000 +4.82000000E+003 !\Author: SP !\Ref: FROM C3H5-A+HO2=C3H5O+OH ! !KUKKADAPU1@LLNL.GOV !\Comment: WARNING 
CH3COCH2+HO2=C3KET21                              +1.82000000E+040 -8.90600000E+000 +8.12000000E+003 !\Author: SP !\Ref: FROM C3H5-A+HO2, 10 ATM RATE KUKKADAPU1.LLNL.GOV !\Comment: WARNING 
CH3COCH2+CH3O2<=>CH3COCH2O+CH3O                   +1.20500000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WJP !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>RO2
!___________________________________________________________________________________________________________ 
CH3COCH2+O2<=>CH3COCH2O2                          +1.20000000E+011 +0.00000000E+000 -1.10000000E+003 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
CH2O+CH3COCH2O2<=>HCO+C3KET21                     +1.28800000E+011 +0.00000000E+000 +9.00000000E+003 !\Author: WARNING !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
HO2+CH3COCH2O2<=>C3KET21+O2                       +1.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: CH3COCH3
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C2H3CHO
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C2H3+HCO<=>C2H3CHO                                +1.81000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
C2H3CO+H<=>C2H3CHO                                +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: SD !\Ref: JetSurF2.0/370 !\Comment: WARNING 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
!DONG 211116!C2H3CHO+H<=>C2H3CO+H2                             +6.90000000E+005 +2.40000000E+000 +1.90500000E+003 !\Author: WARNING !\Ref: BASED ON CH3CHO+H !\Comment: WARNING 
C2H3CHO+H<=>C2H3CO+H2                             +6.91E+4  +2.64E+00   +2.04E+03 !2.0 TIMES SLOWER \Author: SD !\Ref: Sun J, Zhu Y, Konnov A A, ZHOU CW, et al. Combustion and Flame, 2021: 111825. !\Comment: WARNING 

C2H3CHO+O<=>C2H3CO+OH                             +5.94000000E+012 +0.00000000E+000 +1.86800000E+003 !\Author: WARNING !\Ref: BASED ON CH3CHO+H !\Comment: WARNING 
!DONG 211116!C2H3CHO+OH<=>C2H3CO+H2O                           +3.73000000E+004 +2.60000000E+000 -2.30000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H3CHO+OH<=>C2H3CO+H2O                           +0.54600000E+009 +1.17820000E+000  4.24000000E+002 !ANALOGY TO CH2O, A/4, EA+1KCAL/MOL \Author: SD !\Ref: V. VASUDEVAN ET AL. IJCK. 37 !\Comment: 

C2H3CHO+O2<=>C2H3CO+HO2                           +9.00000000E+012 +5.00000000E-001 +4.22000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 211116!C2H3CHO+HO2<=>C2H3CO+H2O2                         +3.01000000E+012 +0.00000000E+000 +1.19200000E+004 !\Author: WARNING !\Ref: BASED ON CH3CHO+HO2 !\Comment: WARNING 
C2H3CHO+HO2<=>C2H3CO+H2O2                         +1.77500000E-003 +4.51700000E+000 +7.58000000E+003 !ANALOGY TO CH2O, A/4, EA+1KCAL/MOL \Author: SD !\Ref: ROBERTSON, S. H.; SEAKINS, P. W.; PILLING, M. J. CHEMICAL KINETICS, IN PILLING, M. J., ED.; ELSEVIER !\Comment: WARNING

C2H3CHO+CH3<=>C2H3CO+CH4                          +2.60800000E+006 +1.78000000E+000 +5.91100000E+003 !\Author: WARNING !\Ref: BASED ON CH3CHO+HO2 !\Comment: WARNING 
C2H3CHO+C2H3<=>C2H3CO+C2H4                        +1.74000000E+012 +0.00000000E+000 +8.44000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH ACETALDEHYDE. !\Comment: WARNING 
C2H3CHO+CH3O<=>C2H3CO+CH3OH                       +1.00000000E+012 +0.00000000E+000 +3.30000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH CH3CHO+CH3O !\Comment: WARNING 
C2H3CHO+CH3O2<=>C2H3CO+CH3O2H                     +3.01000000E+012 +0.00000000E+000 +1.19200000E+004 !\Author: WARNING !\Ref: BASED ON CH3CHO+HO2 !\Comment: WARNING 

!DONG 211117!C2H3CHO+HCO<=>C2H3CO+CH2O                         +7.72818000E+011 -2.70000000E-001 +1.40299000E+004 !ANALOGY TO CH3CHO+HCO \Author: SD !\Ref: H_Abstraction/NIST/807-Tsang, 1986
!DONG 211117!CH3CHO+HCO=>CH4+HCO+CO                            +8.00000000E+012 +0.00000000E+000 +1.03930000E+004 !ANALOGY TO CH3CHO+HCO \Author: SD !\Ref: 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ALPHA_SCISSION
!___________________________________________________________________________________________________________ 
C2H3+CO<=>C2H3CO                                  +1.51000000E+011 +0.00000000E+000 +4.81000000E+003 !\Author: WARNING !\Ref: TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITION
!___________________________________________________________________________________________________________ 

C2H3CHO+H<=>C2H4+HCO                +9.33637297E+09 +1.34877928E+00 +6.72650556E+03
!PLOG / +1.00000E-02 +2.33828069E+15 -3.87387362E-01 +4.73990949E+03 / ! Fitting from 298.15 to 2000.00 K, Mean Error = 4.75 % Max Error = 8.90 %
!PLOG / +1.00000E-01 +5.23568749E+14 -1.60077140E-01 +5.29869477E+03 / ! Fitting from 298.15 to 2000.00 K, Mean Error = 5.42 % Max Error = 17.82%
!PLOG / +1.00000E+00 +6.13195117E+12 +4.30296901E-01 +5.11324992E+03 / ! Fitting from 298.15 to 2000.00 K, Mean Error = 7.85 % Max Error = 17.71%
!PLOG / +1.00000E+01 +3.55971143E+12 +5.36752415E-01 +6.11676080E+03 / ! Fitting from 298.15 to 2000.00 K, Mean Error = 7.31 % Max Error = 13.79%
!PLOG / +1.00000E+02 +9.33637297E+09 +1.34877928E+00 +6.72650556E+03 / ! Fitting from 298.15 to 2000.00 K, Mean Error = 15.15% Max Error = 36.45%

C2H3CHO+OH<=>CH2OHCHCHO                       +2.68991142E+09 +1.11613223E+00 -2.73701734E+03 !A*2.0, ANALOGY TO C4H6+OH !\Author: SD !\Ref: Bai J, Cavallotti C, Zhou C W. Combustion and Flame, 2020, 221: 228-240. !\Comment:
!DONG 211119!C2H3CHO+OH<=>CH2OHCHCHO                       +1.28991142E+09 +1.11613223E+00 -2.73701734E+03 ! ANALOGY TO C4H6+OH !\Author: SD !\Ref: Bai J, Cavallotti C, Zhou C W. Combustion and Flame, 2020, 221: 228-240. !\Comment:
!DONG 211119!PLOG / +1.00000E-02 +1.32824962E+43 -1.00967871E+01 +5.94201268E+03/ ! Mean Error = 12.37 Max Error = 24.94
!DONG 211119!PLOG / +1.00000E-01 +2.24759210E+35 -7.42703371E+00 +4.36930460E+03/ ! Mean Error = 15.24 Max Error = 27.61
!DONG 211119!PLOG / +1.00000E+00 +1.07973940E+27 -4.65704995E+00 +2.36828707E+03/ ! Mean Error = 15.24 Max Error = 30.41
!DONG 211119!PLOG / +1.00000E+01 +2.25206899E+21 -2.78168648E+00 +9.47046328E+02/ ! Mean Error = 14.40 Max Error = 33.79
!DONG 211119!PLOG / +1.00000E+02 +1.77988060E+17 -1.44327119E+00 -1.38973732E+02/ ! Mean Error = 12.96 Max Error = 35.05

!DONG 211218!CH2OHCHCHO+O2<=>CH2OHCH(OO)CHO                    +6.1000000E+050 -1.2200000E+001 +1.5630000E+004  !ANALOGY TO CH3CHCHO+O2<=>CH3CH(OO)CHO \Author: SD !\Ref: J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107(19), 3778-3791 !\Comment: 10 ATM *2.0 FOR SECONDARY, CH2CHO+O2<=>O2CH2CHO 
CH2OHCHCHO+O2<=>CH2OHCH(OO)CHO                    +30.5000000E+051 -1.2200000E+001 +1.5630000E+004  !A*50, ANALOGY TO CH3CHCHO+O2<=>CH3CH(OO)CHO \Author: SD !\Ref: J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107(19), 3778-3791 !\Comment: 10 ATM *2.0 FOR SECONDARY, CH2CHO+O2<=>O2CH2CHO 

!DONG 220623!
CH2OHCHCHO+HO2=>CHOCHO+CH2OH+OH                   +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !CH3CHCHO+HO2=>CO+CH3CHO+H2O\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

CH2OHCHCHO=CH3COHCO+H                             +1.31000000E+045 -9.08000000E+000 +6.70800000E+004 !CH3CHCHO=CH3CHCO+H \Author: SP !\Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +1.14000000E+054 -1.37400000E+001 +6.12300000E+004 /
PLOG /                           +9.86900000E-004 +9.50000000E+040 -1.01800000E+001 +5.29900000E+004 /
PLOG /                           +9.86900000E-003 +9.85000000E+055 -1.38200000E+001 +6.30400000E+004 /
PLOG /                           +9.86900000E-003 +1.00000000E+042 -1.00700000E+001 +5.38800000E+004 /
PLOG /                           +9.86900000E-002 +1.15000000E+058 -1.40300000E+001 +6.53700000E+004 /
PLOG /                           +9.86900000E-002 +7.92000000E+035 -7.68000000E+000 +5.31800000E+004 /
PLOG /                           +9.86900000E-001 +3.42000000E+055 -1.28500000E+001 +6.63700000E+004 /
PLOG /                           +9.86900000E-001 +1.10000000E+032 -6.22000000E+000 +5.27300000E+004 /
PLOG /                           +9.86900000E+000 +1.87000000E+050 -1.08900000E+001 +6.66800000E+004 /
PLOG /                           +9.86900000E+000 +3.68000000E+029 -5.31000000E+000 +5.24300000E+004 /
PLOG /                           +9.86900000E+001 +1.31000000E+045 -9.08000000E+000 +6.70800000E+004 /
PLOG /                           +9.86900000E+001 +4.87000000E+023 -3.29000000E+000 +5.12300000E+004 /

CH2OHCH(OO)CHO<=>CH2OHCH(OOH)CO                   +3.32900000E+006 +1.55500000E+000 +1.32711960E+004 !A*100\Author: WARNING !\Ref: MANIK's calculations !\Comment: WARNING 
CH2OHCH(OO)CHO<=>CH2OCH(OOH)CHO                   +2.61000000E+010 +2.90000000E-001 +2.03780000E+004 !C5H10OH-2O2<=>C5H10OOH2-1O\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 

CH2OHCH(OOH)CO=>CO+HOCH2CHO+OH                    +1.49400000E+013 +1.53000000E-001 +1.01432140E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH2OCH(OOH)CHO=>CH2O+OH+CHOCHO                    +1.99000000E+019 -1.50000000E+000 +1.08200000E+004 !C5H10OOH2-1O=>NC3H7CHO+CH2O+OH\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING


!DONG 211116

C2H3CHO+HO2<=>C3H4OH1-OO3                                    +8.67020994E-02 +3.39983385E+00 -4.10794211E+03
PLOG / +1.00000E+00 +6.86177568E+17 -3.25533779E+00 -6.98794298E+02/ ! Fitting from 298.15 to 500.00 K, Mean Error = 0.00 % Max Error = 0.00 %
PLOG / +1.00000E+01 +1.18095381E+12 -1.06926058E+00 -1.26083276E+03/ ! Fitting from 298.15 to 700.00 K, Mean Error = 2.27 % Max Error = 3.52 %
PLOG / +1.00000E+02 +2.22606662E+06 +9.51094262E-01 -2.24572671E+03/ ! Fitting from 298.15 to 1000.00 K, Mean Error = 4.47 % Max Error = 7.97 %
C2H3CHO+HO2<=>CH2CHCHOH+O2                      +1.39924782E+12 -1.54644565E-01 +1.37133725E+04
PLOG / +1.00000E-02 +1.51708718E+10 +3.64547958E-01 +1.15609648E+04/ ! Fitting from 298.15 to 2000.00 K, Mean Error = 1.08 % Max Error = 2.51 %
PLOG / +1.00000E-01 +1.51749767E+10 +3.64513479E-01 +1.15610013E+04/ ! Fitting from 298.15 to 2000.00 K, Mean Error = 1.08 % Max Error = 2.51 %
PLOG / +1.00000E+00 +1.54533914E+10 +3.62238466E-01 +1.15653121E+04/ ! Fitting from 298.15 to 2000.00 K, Mean Error = 1.07 % Max Error = 2.49 %
PLOG / +1.00000E+01 +1.02175341E+11 +1.29073652E-01 +1.20942602E+04/ ! Fitting from 298.15 to 2000.00 K, Mean Error = 0.55 % Max Error = 1.21 %
PLOG / +1.00000E+02 +1.39924782E+12 -1.54644565E-01 +1.37133725E+04/ ! Fitting from 298.15 to 2000.00 K, Mean Error = 4.90 % Max Error = 13.17%
C3H4OH1-OO3<=>CH2CHCHOH+O2                       +1.17952104E+17 -1.12894759E+00 +2.19795364E+04
PLOG / +1.00000E+00 +1.10897971E+25 -5.38090202E+00 +2.20662721E+04/ ! Fitting from 298.15 to 500.00 K, Mean Error = 0.00 % Max Error = 0.00 %
PLOG / +1.00000E+01 +9.17121669E+31 -6.71554139E+00 +2.41525034E+04/ ! Fitting from 298.15 to 700.00 K, Mean Error = 1.69 % Max Error = 2.72 %
PLOG / +1.00000E+02 +2.58827819E+27 -4.68166450E+00 +2.41910118E+04/ ! Fitting from 298.15 to 1000.00 K, Mean Error = 1.11 % Max Error = 2.68 %


!C2H3CHO+HO2<=>CH3CHCHO+O2          +4.63057462E+005 +1.79971244E+000 +1.24157963E+004  !C4H6+HO2<=>C4H71-3+O2 \Author: SD !\Ref: Zhu, Yuxiang, and Chong-Wen Zhou. Combustion and Flame 221 (2020): 241-255. !\Comment: WARNING 
!PLOG / +1.00000E-002 +4.13013814E-002 +3.67965451E+000 +5.05285640E+003/
!PLOG / +1.00000E-001 +3.59245100E+000 +3.12353157E+000 +6.20481713E+003/
!PLOG / +1.00000E+000 +1.06260168E+004 +2.13767531E+000 +8.46221568E+003/
!PLOG / +1.00000E+001 +1.14233603E+007 +1.30854416E+000 +1.11243122E+004/
!PLOG / +1.00000E+002 +4.63057462E+005 +1.79971244E+000 +1.24157963E+004/
!
!C2H3CHO+HO2<=>CH3CH(OO)CHO           +2.80567157E+013 -1.21446708E+000 +8.63098410E+003  !C4H6+HO2<=>C4H71-3O2 \Author: SD !\Ref: Zhu, Yuxiang, and Chong-Wen Zhou. Combustion and Flame 221 (2020): 241-255. !\Comment: WARNING 
!PLOG / +1.00000E-002 +6.33843623E+038 -1.11897169E+001 +1.00978408E+004/
!PLOG / +1.00000E-001 +8.14620367E+036 -9.95262902E+000 +1.12649358E+004/
!PLOG / +1.00000E+000 +9.64752860E+031 -7.81093067E+000 +1.16075831E+004/
!PLOG / +1.00000E+001 +1.42718734E+024 -4.88765264E+000 +1.08052265E+004/
!PLOG / +1.00000E+002 +2.80567157E+013 -1.21446708E+000 +8.63098410E+003/
!

C2H3CHO+OH<=>C2H3CHOHOJ                           +6.32000000E+006 +1.63000000E+000 +4.28400000E+003 !CH2O+OH<=>HOCH2O \Author: KPS !\Ref: DAMES, CNF, 2016 !\Comment: ORIGINALLY FROM XU /ZHU2006 
C2H3CHOHOJ<=>C2H3COOH+H                           +1.03200000E+017 -1.48000000E+000 +1.24800000E+004 !HOCH2O<=>HOCHO+H \Author: KPS !\Ref: DAMES, CNF, 2016 !\Comment: WARNING 

C2H3COOH<=>C2H4+CO2                               +1.50000000E+013 +0.00000000E+000 +7.00000000E+004 !CH3COOH=CH4+CO2 \Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C2H3CHO
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C2H5COCH2
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ALPHA_SCISSION
!___________________________________________________________________________________________________________ 
C2H5COCH2+HO2=NC4KET21                            +1.82000000E+040 -8.90600000E+000 +8.12000000E+003 !\Author: SP !\Ref: ! !FROM C3H5-A+HO2, 10 ATM RATE KUKKADAPU1.LLNL.GOV !\Comment: WARNING 
C2H5COCH2+HO2=>CH2O+OH+C2H5CO                     +8.05000000E+017 -1.50300000E+000 +4.82000000E+003 !\Author: SP !\Ref: ! !FROM C3H5-A+HO2=C3H5O+OH ! !KUKKADAPU1@LLNL.GOV !\Comment: WARNING 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C2H5COCH2
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: NC3H7COCH2
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ALPHA_SCISSION
!___________________________________________________________________________________________________________ 
NC3H7COCH2+HO2=NC5KET21                           +1.82000000E+040 -8.90600000E+000 +8.12000000E+003 !\Author: SP !\Ref: ! !FROM C3H5-A+HO2, 10 ATM RATE KUKKADAPU1.LLNL.GOV !\Comment: WARNING 
NC3H7COCH2+HO2=>CH2O+OH+NC3H7CO                   +8.05000000E+017 -1.50300000E+000 +4.82000000E+003 !\Author: SP !\Ref: ! !FROM C3H5-A+HO2=C3H5O+OH ! !KUKKADAPU1@LLNL.GOV !\Comment: WARNING 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: NC3H7COCH2
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C6Y2-1J
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ALPHA_SCISSION
!___________________________________________________________________________________________________________ 
C6Y2-1J+HO2=C6KET21                               +1.82000000E+040 -8.90600000E+000 +8.12000000E+003 !\Author: SP !\Ref: ! !FROM C3H5-A+HO2, 10 ATM RATE KUKKADAPU1.LLNL.GOV !\Comment: WARNING 
C6Y2-1J+HO2=>CH2O+OH+PC4H9CO                      +8.05000000E+017 -1.50300000E+000 +4.82000000E+003 !\Author: SP !\Ref: ! !FROM C3H5-A+HO2=C3H5O+OH ! !KUKKADAPU1@LLNL.GOV !\Comment: WARNING 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C6Y2-1J
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C2H5CHO
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CH2CH2CHO+H=C2H5CHO                               +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H5CHO<=>H+CH3CHCHO                              +4.30000000E+033 -5.44000000E+000 +1.03294000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.31000000E+059 -1.37300000E+001 +1.10141000E+005 /
PLOG /                           +1.00000000E-001 +1.16000000E+058 -1.30900000E+001 +1.11963000E+005 /
PLOG /                           +1.00000000E+000 +9.59000000E+053 -1.16300000E+001 +1.12202000E+005 /
PLOG /                           +2.00000000E+000 +9.50000000E+051 -1.09700000E+001 +1.11761000E+005 /
PLOG /                           +5.00000000E+000 +5.00000000E+048 -9.94000000E+000 +1.10699000E+005 /
PLOG /                           +1.00000000E+001 +5.47000000E+045 -9.03000000E+000 +1.09500000E+005 /
PLOG /                           +2.00000000E+001 +2.47000000E+042 -8.02000000E+000 +1.07958000E+005 /
PLOG /                           +1.00000000E+002 +4.30000000E+033 -5.44000000E+000 +1.03294000E+005 /
C2H5CHO(+M)<=>HCO+C2H5(+M)                        +1.30000000E+026 -3.00000000E+000 +8.64059000E+004 !\Author: SP !\Ref: M. PELUCCHI,COMBUST. FLAME 162(2015) 265-286. !\Comment: WARNING 
LOW /                                             +2.87000000E+084 -1.86000000E+001 +1.01060000E+005 /
TROE /                           +2.49100000E-003 +3.76800000E+002 +6.08900000E+000 +4.63200000E+003 /
C2H5CHO(+M)<=>CH3+CH2CHO(+M)                      +1.16000000E+025 -2.80000000E+000 +8.57182000E+004 !\Author: SP !\Ref: M. PELUCCHI,COMBUST. FLAME 162(2015) 265-286. !\Comment: WARNING 
LOW /                                             +1.26000000E+087 -1.94000000E+001 +1.01280000E+005 /
TROE /                           +2.49100000E-003 +3.72500000E+002 +6.08900000E+000 +5.25200000E+003 /
C2H5CHO<=>H+C2H5CO                                +1.60000000E+034 -5.40000000E+000 +1.00067000E+005 !\Author: SP !\Ref: M. PELUCCHI,COMBUST. FLAME 162(2015) 265-286. !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.56000000E+063 -1.46100000E+001 +1.09466000E+005 /
PLOG /                           +1.00000000E-001 +9.89000000E+060 -1.36600000E+001 +1.10729000E+005 /
PLOG /                           +1.00000000E+000 +6.70000000E+055 -1.19100000E+001 +1.10241000E+005 /
PLOG /                           +2.00000000E+000 +3.26000000E+053 -1.11700000E+001 +1.09556000E+005 /
PLOG /                           +5.00000000E+000 +7.20000000E+049 -1.00400000E+001 +1.08170000E+005 /
PLOG /                           +1.00000000E+001 +4.48000000E+046 -9.07000000E+000 +1.06742000E+005 /
PLOG /                           +2.00000000E+001 +1.30000000E+043 -8.02000000E+000 +1.04999000E+005 /
PLOG /                           +1.00000000E+002 +1.60000000E+034 -5.40000000E+000 +1.00067000E+005 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C2H5CHO+H=C2H5CO+H2                               +8.46000000E+005 +2.30000000E+000 +1.54500000E+003 !\Author: SP !\Ref: J. MENDES, ET AL, J. PHYS. CHEM. A, 118(51)(2014), PP. 12089-12104 !\Comment: WARNING 
C2H5CHO+H=CH3CHCHO+H2                             +2.15000000E+006 +2.29000000E+000 +2.88000000E+003 !\Author: SP !\Ref: M. PELUCCHI,COMBUST. FLAME 162(2015) 265-286 !\Comment: WARNING 
C2H5CHO+H=CH2CH2CHO+H2                            +2.63000000E+005 +2.69000000E+000 +6.45000000E+003 !\Author: SP !\Ref: M. PELUCCHI,COMBUST. FLAME 162(2015) 265-286 !\Comment: WARNING 
C2H5CHO+O<=>C2H5CO+OH                             +5.80000000E+012 +0.00000000E+000 +1.80000000E+003 !\Author: SP !\Ref: ANALOGY WITH CH3CHO+O !\Comment: WARNING 
C2H5CHO+O<=>CH3CHCHO+OH                           +1.44400000E+011 +2.30000000E-001 +2.97000000E+003 !\Author: SP !\Ref: ZHANG ET AL. !\Comment: WARNING 
C2H5CHO+O<=>CH2CH2CHO+OH                          +3.71000000E+006 +2.40000000E+000 +5.50500000E+003 !\Author: SP !\Ref: ZHANG ET AL. !\Comment: WARNING 
C2H5CHO+OH<=>C2H5CO+H2O                           +2.80000000E+012 +0.00000000E+000 -7.09000000E+002 !\Author: WARNING !\Ref: S. WANG, D.F. DAVIDSON, R.K. HANSON, PROC. COMBUST. INST. 35(2015) 473-480. !\Comment: WARNING 
C2H5CHO+OH<=>CH3CHCHO+H2O                         +2.36000000E+002 +3.15000000E+000 -3.05004500E+003 !\Author: SP !\Ref: ZHANG ET AL. !\Comment: ANALOGY WITH 2-BUTANONE, C.-W. ZHOU, PHYS. CHEM. CHEM. PHYS. 13(2011) 11175-11192. 
C2H5CHO+OH<=>CH2CH2CHO+H2O                        +5.25000000E+009 +9.70000000E-001 +1.59000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H5CHO+CH3<=>C2H5CO+CH4                          +2.99000000E+000 +3.60000000E+000 +4.33800000E+003 !\Author: SP !\Ref: J. MENDES, ET AL, J. PHYS. CHEM. A, 118(51)(2014), PP. 12089-12104 !\Comment: WARNING 
C2H5CHO+CH3<=>CH3CHCHO+CH4                        +6.16000000E-001 +3.60000000E+000 +6.58100000E+003 !\Author: SP !\Ref: J. MENDES, ET AL, J. PHYS. CHEM. A, 118(51)(2014), PP. 12089-12104 !\Comment: WARNING 
C2H5CHO+CH3<=>CH2CH2CHO+CH4                       +1.05000000E-001 +4.00000000E+000 +9.25300000E+003 !\Author: SP !\Ref: J. MENDES, ET AL, J. PHYS. CHEM. A, 118(51)(2014), PP. 12089-12104 !\Comment: WARNING 
C2H5CHO+HO2<=>CH2CH2CHO+H2O2                      +4.08000000E+001 +3.59000000E+000 +1.72000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H5CHO+HO2<=>CH3CHCHO+H2O2                       +2.02000000E-001 +3.82000000E+000 +9.34883000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!C2H5CHO+HO2<=>C2H5CO+H2O2                         +4.10000000E+004 +2.50000000E+000 +1.02000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H5CHO+HO2<=>C2H5CO+H2O2                         +4.65000000E-005 +5.00000000E+000 +3.50400000E+003 !\Author: WARNING !\Ref: J. MENDES, ET AL, J. PHYS. CHEM. A, 118(51)(2014), PP. 12089-12104 !\Comment: WARNING 

C2H5CHO+O2<=>C2H5CO+HO2                           +1.20000000E+005 +2.50000000E+000 +3.75600000E+004 !\Author: SP !\Ref: ANALOGY TO CH3CHO !\Comment: WARNING 
C2H5CHO+C2H5<=>C2H5CO+C2H6                        +7.36000000E+004 +2.00000000E+000 +5.91709000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H5CHO+C2H5<=>CH3CHCHO+C2H6                      +3.00000000E+010 +0.00000000E+000 +8.60000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H5CHO+C2H5<=>CH2CH2CHO+C2H6                     +1.00000000E+011 +0.00000000E+000 +1.04000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H5CHO+CH3O<=>C2H5CO+CH3OH                       +1.69000000E+005 +2.04380000E+000 +2.35320000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
C2H5CHO+CH3O<=>C2H5CO+CH3OH                       +9.62000000E+003 +2.50050000E+000 +1.58950000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
C2H5CHO+C2H5O<=>C2H5CO+C2H5OH                     +1.69000000E+005 +2.04380000E+000 +2.35320000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
C2H5CHO+C2H5O<=>C2H5CO+C2H5OH                     +9.62000000E+003 +2.50050000E+000 +1.58950000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
C2H5CHO+CH3CO3<=>C2H5CO+CH3CO3H                   +1.91580000E+000 +3.64260000E+000 +5.64190000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
C2H5CHO+CH3CO3<=>C2H5CO+CH3CO3H                   +9.81000000E-004 +4.32010000E+000 +2.63610000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
C2H5CHO+C2H5CO3<=>C2H5CO+C2H5CO3H                 +1.91580000E+000 +3.64260000E+000 +5.64190000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
C2H5CHO+C2H5CO3<=>C2H5CO+C2H5CO3H                 +9.81000000E-004 +4.32010000E+000 +2.63610000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
CH3CHO+C2H5CO3<=>CH3CO+C2H5CO3H                   +1.91580000E+000 +3.64260000E+000 +5.64190000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
CH3CHO+C2H5CO3<=>CH3CO+C2H5CO3H                   +9.81000000E-004 +4.32010000E+000 +2.63610000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
C2H5CHO+CH3O=CH3CHCHO+CH3OH                       +1.02000000E+012 +0.00000000E+000 +2.97900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H5CHO+CH3O=CH2CH2CHO+CH3OH                      +2.41000000E+012 +0.00000000E+000 +7.09000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H5CHO+CH3O2=C2H5CO+CH3O2H                       +3.72000000E-005 +5.00000000E+000 +3.50400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H5CHO+C2H5O2=C2H5O2H+C2H5CO                     +3.72000000E-005 +5.00000000E+000 +4.80400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H5CHO+C2H3<=>C2H5CO+C2H4                        +1.70000000E+012 +0.00000000E+000 +8.44000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH ACETALDEHYDE !\Comment: WARNING 
C2H5CHO+NC3H7<=>C2H5CO+C3H8                       +1.70000000E+012 +0.00000000E+000 +8.44000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH ACETALDEHYDE !\Comment: WARNING 
C2H5CHO+IC3H7<=>C2H5CO+C3H8                       +1.70000000E+012 +0.00000000E+000 +8.44000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH ACETALDEHYDE !\Comment: WARNING 
!C2H5CHO+C3H5-A<=>C2H5CO+C3H6                      +1.70000000E+012 +0.00000000E+000 +8.44000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH ACETALDEHYDE !\Comment: WARNING 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS:  \R+O2<=>RO2                                \A              \N              \EA            
!___________________________________________________________________________________________________________ 
!DONG 0923!C2H5CO+O2<=>C2H5CO3                               +3.15000000E+059 -1.53000000E+001 +1.40000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H5CO+O2<=>C2H5CO3                                3.1500E+52	-13.25	1.0510E+04 !\Author: SD !\Ref: 10 ATM, \RefIT, CH3CO+O2=CH3CO3, Scott A. Carr, J. Phys. Chem. A 2011, 115,1069-1085 20170423 !\Comment: WARNING 
!DONG 0923!CH3CHCHO+O2<=>CH3CH(OO)CHO                        +9.10000000E+050 -1.22000000E+001 +1.56300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH3CHCHO+O2<=>CH3CH(OO)CHO                        +6.1000000E+050 -1.2200000E+001 +1.5630000E+004  !\Author: SD !\Ref: J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107(19), 3778-3791 !\Comment: 10 ATM *2.0 FOR SECONDARY, CH2CHO+O2<=>O2CH2CHO 
!DONG 0923!CH2CH2CHO+O2<=>O2CH2CH2CHO                        +2.07000000E+016 -1.30000000E+000 +8.03419000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH2CH2CHO+O2<=>O2CH2CH2CHO                        +6.8650000E+016 -1.6270000E+000 +1.9870000E+002  !\AUTHOR: SD !\Ref:MIYOSHI !\COMMENT: PC4H9+O2<=>PC4H9O2 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS:  \RO2<=>ALKENE_HO2                         \A              \N              \EA            
!___________________________________________________________________________________________________________ 
!CH3CO3=CH2CO+HO2                             4.8700E+60	-15.78	4.8000E+04 !10 ATM, \RefIT, \Ref:Scott A. Carr, J. Phys. Chem. A 2011, 115,1069-1085   20170423
!DONG 0923!C2H5CO3=CH3CHCO+HO2                               +3.74000000E+069 -1.84000000E+001 +5.29000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!PLOG /                           +1.00000000E-001 +1.30000000E+090 -2.63910000E+001 +5.78980000E+004 /
!DONG 0923!PLOG /                           +1.00000000E-001 +1.05000000E+052 -1.45630000E+001 +4.23010000E+004 /
!DONG 0923!PLOG /                           +1.00000000E+000 +9.64000000E+064 -1.77000000E+001 +4.90000000E+004 /
!DONG 0923!PLOG /                           +1.00000000E+000 +1.59000000E+054 -1.48000000E+001 +4.30000000E+004 /
!DONG 0923!PLOG /                           +1.00000000E+001 +3.74000000E+069 -1.84000000E+001 +5.29000000E+004 /
!DONG 0923!PLOG /                           +1.00000000E+001 +4.87000000E+055 -1.46000000E+001 +4.49000000E+004 /
C2H5CO3<=>CH3CHCO+HO2                              4.8700E+60	-15.78	4.6000E+04 !EA-2KCAL, 10 ATM, REFIT, CH3CO3=CH2CO+HO2, REF:Scott A. Carr, J. Phys. Chem. A 2011, 115,1069-1085   20170423

!DONG 220622!CH3CH(OO)CHO<=>C2H3CHO+HO2                        +3.2000000E+025 -4.02000000E+000 +3.49139000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: IC3H7O2<=>C3H6+HO2, HPL
C2H3CHO+HO2<=>CH3CH(OO)CHO                                   +2.43160651E-04 +4.21160495E+00 +6.55442625E+03
PLOG / +1.00000E-02 +2.89488063E+31 -8.81651073E+00 +1.09094165E+04/ ! Fitting from 298.15 to 800.00 K, Mean Error = 2.74 % Max Error = 4.81 %
PLOG / +1.00000E-01 +6.08939882E+31 -8.35668473E+00 +1.25802392E+04/ ! Fitting from 298.15 to 800.00 K, Mean Error = 5.48 % Max Error = 11.04%
PLOG / +1.00000E+00 +2.87533528E+28 -6.77131293E+00 +1.32536644E+04/ ! Fitting from 298.15 to 900.00 K, Mean Error = 8.74 % Max Error = 21.00%
PLOG / +1.00000E+01 +2.80210085E+19 -3.49513339E+00 +1.20139694E+04/ ! Fitting from 298.15 to 1000.00 K, Mean Error = 13.94% Max Error = 32.01%
PLOG / +1.00000E+02 +1.53004595E+10 -3.06508825E-01 +1.01712625E+04/ ! Fitting from 298.15 to 1200.00 K, Mean Error = 16.62% Max Error = 35.34%

!O2CH2CHO<=>CH2CO+HO2                              +1.12000000E+061 -1.60400000E+001 +6.00100000E+004 !\Author: WARNING !\Ref: J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107(19), 3778-3791 !\Comment: WARNING 
!DONG 0923!CH3CH(OO)CHO<=>CH3CHCO+HO2                        +2.13000000E+025 -4.02000000E+000 +3.49139000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH3CH(OO)CHO<=>CH3CHCO+HO2                        +3.36000000E+061 -1.60400000E+001 +6.00100000E+004 !A*3.0, O2CH2CHO<=>CH2CO+HO2 \Author: WARNING !\Ref: J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107(19), 3778-3791 !\Comment: WARNING 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS:  \RO2<=>QOOH                                \A              \N              \EA            
!___________________________________________________________________________________________________________ 
!DONG 0504!!CH3CO3=QCH2CO3H                             4.1000E+17	-2.62	2.2300E+04 !10 ATM, REFIT, REF:Scott A. Carr, J. Phys. Chem. A 2011, 115,1069-1085   20170423
!DONG 0923!C2H5CO3<=>QCH3CHCO3H                              +2.79000000E+042 -1.01000000E+001 +3.91082000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H5CO3<=>QCH3CHCO3H                               4.1000E+17	-2.62	1.9300E+04 !EA-3KCAL, 10 ATM, REFIT, REF:Scott A. Carr, J. Phys. Chem. A 2011, 115,1069-1085   20170423
!DONG 0923!C2H5CO3<=>QCH2CH2CO3H                             +7.15000000E+000 +3.12000000E+000 +1.93400000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H5CO3<=>QCH2CH2CO3H                              1.189e+006    1.600  21000.0 !LLNL RATE RULES

CH3CH(OO)CHO<=>QCH3CH(OOH)CO                      +3.32900000E+004 +1.55500000E+000 +1.32711960E+004 !\Author: WARNING !\Ref: MANIK's calculations !\Comment: WARNING 
!DONG 0923!CH3CH(OO)CHO<=>QCH2CH(OOH)CHO                     +1.00000000E+000 +2.93400000E+000 +2.58469570E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!DONG 0923!O2CH2CH2CHO<=>QHO2CH2CHCHO                        +2.79000000E+042 -1.01000000E+001 +3.91082000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
O2CH2CH2CHO<=>QHO2CH2CHCHO                        +1.7160000E+009 +9.0000000E-001 +2.4500000E+004  !EA-5KCAL, SC4H9O2<=>C4H8OOH2-3 \AUTHOR: !\REF:SHARMA !\COMMENT: A FACTOR REVALUED 20140425 KWZ 8.580E+008 0.900 29500.0
O2CH2CH2CHO<=>QHO2CH2CH2CO                        +2.86000000E+016 -1.67000000E+000 +1.22100000E+004 !\Author: WARNING !\Ref: J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107(19), 3778-3791 !\Comment: A*2.0, EA-9KCAL, DUE TO SECONDARY COO,10 ATM O2CH2CHO<=>HO2CH2CO

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS:  \QOOH DECOMPOSITIONS                       \A              \N              \EA            
!___________________________________________________________________________________________________________ 

!DONG 0512!C3H6COQ1=>C2H5CHO+OH+CO                      5.78E+014 0.00 16843.51   !ANALOGY FROM NC3H7CO<=>NC3H7+CO, J.M. SIMMIE, J.PHYS.CHEM 2012
!DONG 0923!C3H6COQ1=>C2H5CHO+OH+CO                      1.494E+13 0.153 10143.214 !MANIK
QCH3CH(OOH)CO=>CO+CH3CHO+OH                       +1.49400000E+013 +1.53000000E-001 +1.01432140E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!DONG 0923!QHO2CH2CH2CO=>CO+CH3CHO+OH                        +4.16000000E+020 -3.02000000E+000 +8.24000000E+003 !\Author: WARNING !\Ref: J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107(19), 3778-3791 !\Comment: WARNING 
!DONG 0923!PLOG /                           +1.00000000E-002 +2.36000000E+017 -2.95000000E+000 +8.10000000E+003 /
!DONG 0923!PLOG /                           +1.00000000E-001 +2.38000000E+018 -2.95000000E+000 +8.10000000E+003 /
!DONG 0923!PLOG /                           +1.00000000E+000 +2.51000000E+019 -2.95000000E+000 +8.11000000E+003 /
!DONG 0923!PLOG /                           +1.00000000E+001 +4.16000000E+020 -3.02000000E+000 +8.24000000E+003 /
QHO2CH2CH2CO<=>C2H4O2H+CO                          5.78E+014 0.00 16843.51   !ANALOGY FROM NC3H7CO<=>NC3H7+CO, J.M. SIMMIE, J.PHYS.CHEM 2012

!DONG 0923!QHO2CH2CH2CO<=>C2H3CHO+HO2                        +2.09000000E+009 -3.55000000E+000 +2.12200000E+004 !\Author: WARNING !\Ref: J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107(19), 3778-3791 !\Comment: WARNING 
!DONG 0923!PLOG /                           +1.00000000E-002 +1.12000000E+007 -3.76000000E+000 +2.16800000E+004 /
!DONG 0923!PLOG /                           +1.00000000E-001 +1.10000000E+008 -3.76000000E+000 +2.16800000E+004 /
!DONG 0923!PLOG /                           +1.00000000E+000 +9.20000000E+008 -3.73000000E+000 +2.16300000E+004 /
!DONG 0923!PLOG /                           +1.00000000E+001 +2.09000000E+009 -3.55000000E+000 +2.12200000E+004 /
!DONG 0923!QHO2CH2CH2CO+O2<=>HO2CH2CH2CO3                    +1.46000000E+018 -1.85000000E+000 +1.00584000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS:  \QOOH<=>ALKENE_HO2                         \A              \N              \EA            
!___________________________________________________________________________________________________________ 
!DONG 0923!QCH3CHCO3H<=>CH3CHCO+HO2                          +1.27000000E-015 +8.78000000E+000 +9.26654000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!QCH2CO3H=CH2CO+HO2                                 3.7400E+50  -13.38  4.1400E+04 !10 ATM, REFIT, REF:Scott A. Carr, J. Phys. Chem. A 2011, 115,1069-1085   20170423
QCH3CHCO3H<=>CH3CHCO+HO2                           3.7400E+50	 -13.38	 4.1400E+04 !10 ATM, REFIT, REF:Scott A. Carr, J. Phys. Chem. A 2011, 115,1069-1085   20170423

!HO2CH2CO<=>CH2CO+HO2                              +2.09000000E+009 -3.55000000E+000 +2.12200000E+004 !\Author: WARNING !\Ref: J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107(19), 3778-3791 !\Comment: WARNING 
!DONG 0923!QCH3CH(OOH)CO<=>CH3CHCO+HO2                       +2.45200000E+014 -6.79000000E-001 +2.42079710E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!C3H6COQ1<=>C2H5CHCO+HO2                            2.452E+14 -0.679 24207.971 !MANIK
QCH3CH(OOH)CO<=>CH3CHCO+HO2                       +2.09000000E+009 -3.55000000E+000 +2.12200000E+004 !\Author: WARNING !\Ref: J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107(19), 3778-3791 !\Comment: WARNING 

!DONG 0923!QHO2CH2CHCHO<=>C2H3CHO+HO2                        +1.27000000E-015 +8.78000000E+000 +9.26654000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
QHO2CH2CHCHO<=>C2H3CHO+HO2                        +2.8800000E+011 +4.6000000E-001 +1.7200000E+004  !EA+2KCAL, DONG 0415, NEED TO CHECK, HPL,C4H8OOH2-3<=>C4H8-2+HO2 \AUTHOR: SD !\REF:S.M. Villano !\COMMENT:

!DONG 0923!QCH2CH(OOH)CHO<=>C2H3CHO+HO2                      +5.92300000E+014 -7.14000000E-001 +9.13480700E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS:  \QOOH<=>CYCETH+OH                          \A              \N              \EA            
!___________________________________________________________________________________________________________ 
!QCH2CO3H=H2COCO#+OH                          4.6800E+37	-8.13	2.7000E+04 !10 ATM, REFIT, REF:Scott A. Carr, J. Phys. Chem. A 2011, 115,1069-1085   20170423
!DONG 0923!QCH3CHCO3H<=>CH3#CHCOO#+OH                        +3.34000000E+014 -7.46000000E-001 +1.30738000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
QCH3CHCO3H<=>CH3#CHCOO#+OH                         4.6800E+37	-8.13	2.7000E+04 !QCH2CO3H=H2COCO#+OH, 10 ATM, REFIT, REF:Scott A. Carr, J. Phys. Chem. A 2011, 115,1069-1085   20170423
!DONG 0923!QCH2CH2CO3H<=>CCH2COOCH2#+OH                      +3.96000000E+025 -5.29000000E+000 +2.90028000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
QCH2CH2CO3H<=>CCH2COOCH2#+OH                      +3.96000000E+025 -5.29000000E+000 +2.90028000E+004 !\Author: UB !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: C3H6OOH1-3<=>OH+C3H6O1-2

!DONG 0923!QHO2CH2CHCHO<=>CYC2H3OCHO+OH                      +1.05000000E+010 +6.80000000E-001 +1.69640000E+004 !\Author: WARNING !\Ref: JUDIT ZADOR,STEPHEN J. KLIPPENSTEIN,AND JAMES A. MILLER J. PHYS. CHEM. A 2011, 115, 10218 C10225 !\Comment: WARNING 
QHO2CH2CHCHO<=>CYC2H3OCHO+OH                      +1.0500000E+010 +6.8000000E-001 +1.6964000E+004   !EA+5KCAL, C4H8OOH2-3<=>C4H8O2-3+OH \AUTHOR: !\REF:JUDIT ZADOR,STEPHEN J. KLIPPENSTEIN,AND JAMES A. MILLER J. PHYS. CHEM. A 2011, 115, 10218 C10225
!DONG 0504!C3H5CHOQ2-3<=>CYC2H3OCH2CHO+OH              +3.9200000E+006 +1.6500000E+000 +1.2124000E+004   !C4H8OOH2-1<=>C4H8O1-2+OH \AUTHOR: !\REF:JUDIT ZADOR,STEPHEN J. KLIPPENSTEIN,AND JAMES A. MILLER J. PHYS. CHEM. A 2011, 115, 10218 C10225

!DONG 0923!QCH3CH(OOH)CO<=>CH3#CHCOO#+OH                     +1.87300000E+013 -5.33000000E-001 +2.73543640E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!DONG 0923!QCH2CH(OOH)CHO<=>CYC2H3OCHO+OH                   +1.57300000E+014 -5.34000000E-001 +1.48315400E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS:  \CYCETH_DECOMPOSITION                      \A              \N              \EA            
!___________________________________________________________________________________________________________ 
CH3#CHCOO#+OH=>H2O+CH3CO+CO                       +2.2600000E+003 +2.7300000E+000 -4.6886000E+003   !BY ANALOGY FROM ALKANE\AUTHOR: !\REF: WARNING NO REFERENCE !\COMMENT: 
CCH2COOCH2#+OH=>H2O+CH2CHO+CO                     +2.2600000E+003 +2.7300000E+000 -4.6886000E+003   !BY ANALOGY FROM ALKANE\AUTHOR: !\REF: WARNING NO REFERENCE !\COMMENT: 
CYC2H3OCHO+OH=>H2O+C2H3O1-2+CO                    +2.2600000E+003 +2.7300000E+000 -4.6886000E+003   !BY ANALOGY FROM ALKANE\AUTHOR: !\REF: WARNING NO REFERENCE !\COMMENT: 
CYC2H3OCHO+OH=>H2O+CH2CO+HCO                      +2.2600000E+003 +2.7300000E+000 -4.6886000E+003   !BY ANALOGY FROM ALKANE\AUTHOR: !\REF: WARNING NO REFERENCE !\COMMENT: 

CH3#CHCOO#+HO2=>H2O2+CH3CO+CO                     +1.7200000E+001 +3.4600000E+000 +9.7333000E+003   !BY ANALOGY FROM ALKANE\AUTHOR: !\REF: WARNING NO REFERENCE !\COMMENT:
CCH2COOCH2#+HO2=>H2O2+CH2CHO+CO                   +1.7200000E+001 +3.4600000E+000 +9.7333000E+003   !BY ANALOGY FROM ALKANE\AUTHOR: !\REF: WARNING NO REFERENCE !\COMMENT:
CYC2H3OCHO+HO2=>H2O2+C2H3O1-2+CO                  +1.7200000E+001 +3.4600000E+000 +9.7333000E+003   !BY ANALOGY FROM ALKANE\AUTHOR: !\REF: WARNING NO REFERENCE !\COMMENT:
CYC2H3OCHO+HO2=>H2O2+CH2CO+HCO                    +1.7200000E+001 +3.4600000E+000 +9.7333000E+003   !BY ANALOGY FROM ALKANE\AUTHOR: !\REF: WARNING NO REFERENCE !\COMMENT:

CH3CHCHO+HO2=>CO+CH3CHO+H2O                       +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH3CHCHO+HO2=>HCO+CH3CHO+OH                       +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 


!___________________________________________________________________________________________________________ 
!\REACTIONCLASS:  \QOOH+O2<=>O2QOOH                          \A              \N              \EA            
!___________________________________________________________________________________________________________ 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS:  \O2QOOH<=>KHP+OH / KHP_DECOMPOSITION                           \A              \N              \EA            
!___________________________________________________________________________________________________________ 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS:  \O2QOOH<=>ALKENEKHP+HO2                         \A              \N              \EA            
!___________________________________________________________________________________________________________ 

!DONG 0923!C2H5CO3H<=>C2H5CO2+OH                             +5.01000000E+014 +0.00000000E+000 +4.01500000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!C2H5CO3+HO2<=>C2H5CO3H+O2                         +1.75000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!C2H5CO2+M<=>C2H5+CO2+M                            +4.40000000E+015 +0.00000000E+000 +1.05000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!QCH3CHCO3H+O2<=>CH3CH(OO)CO3H                     +6.65000000E+022 -3.28000000E+000 +2.69488000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!CH3CH(OO)CO3H=>cCH2OCH#CO3H+OH                    +2.87000000E+029 -6.03000000E+000 +4.90954000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!cCH2OCH#CO3H=>C2H3O1-2+CO2+OH                     +1.00000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!CH3CH(OO)CO3H<=>CH2CH(OOH)CO3H                    +7.45000000E+008 -2.01000000E-001 +3.18605000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!CH3CH(OO)CO3H=>KCH3COCO3H+OH                      +1.29000000E+015 -1.92000000E+000 +3.58450000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!CH3CH(OO)CO3H<=>CH3CH(OOH)CO3                     +8.35000000E+010 -5.57000000E-001 +1.93347000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!CH3CH(OOH)CO3=>cCH2OCH#CO3H+OH                    +8.89000000E+030 -5.73000000E+000 +4.18277000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!CH3CH(OOH)CO3=>KCH3COCO3H+OH                      +2.04000000E+009 +5.15000000E-001 +2.32465000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!CH3CH(OOH)CO3<=>CH2CH(OOH)CO3H                    +1.98000000E+016 -1.63000000E+000 +2.59740000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!CH2CH(OOH)CO3H=>cCH2OCH#CO3H+OH                   +6.12000000E+015 -1.06000000E+000 +1.64864000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!KCH3COCO3H=>CH3CO+CO2+OH                          +1.00000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!QCH2CH2CO3H+O2<=>O2CH2CH2CO3H                     +1.46000000E+018 -1.85000000E+000 +1.00584000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!O2CH2CH2CO3H=>HO2CH2CH2CO3                        +1.95000000E+009 +0.00000000E+000 +1.27168000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!O2CH2CH2CO3H=>cCH2OCH#CO3H+OH                     +1.72000000E+005 +1.60000000E+000 +2.58824000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!

!DONG 0923!CH3CH(OO)CHO=>CO+CH3CHO+OH                        +6.00000000E+011 +0.00000000E+000 +2.45000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!QCH3CH(OOH)CO+O2<=>CH3CH(OOH)CO3                  +6.87000000E+025 -4.35000000E+000 +4.01975000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!O2CH2CH(OOH)CHO=>KHO2CH2COCHO+OH                  +2.04000000E+009 +5.15000000E-001 +2.32465000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!KHO2CH2COCHO=>CH2O+CO+HCO+OH                      +1.00000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!O2CH2CH(OOH)CHO<=>HO2CH2CH(OOH)CO                 +1.98000000E+016 -1.63000000E+000 +2.59740000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!HO2CH2CH(OOH)CO=>HO2CH2cCHOCO#+OH                 +6.12000000E+015 -1.06000000E+000 +1.64864000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!HO2CH2CH(OO)CHO<=>O2CH2CH(OOH)CHO                 +8.35000000E+010 -5.57000000E-001 +1.93347000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!HO2CH2CH(OO)CHO=>HCOCH(OOH)CHO+OH                 +1.95000000E+010 +1.54000000E-001 +2.56120000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!HO2CH2CH(OO)CHO<=>HO2CH2CH(OOH)CO                 +7.45000000E+008 -2.01000000E-001 +3.18605000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!HCOCH(OOH)CHO=>HCO+HCO+HCO+OH                     +1.00000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!HO2CH2cCHOCO#=>CH2O+HCO+CO+OH                     +1.00000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!DONG 0923!CYC2H3OCHO+OH=>H2O+CH2CO+HCO                      +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO \RefERENCE !\Comment: WARNING 
!DONG 0923!CYC2H3OCHO+HO2=>H2O2+CH2CO+HCO                    +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO \RefERENCE !\Comment: WARNING 
!DONG 0923!HO2CH2CH2CO3=>KCHOCH2CO3H+OH                      +1.67000000E+005 +1.48000000E+000 +1.62379000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!KCHOCH2CO3H=>CH2CHO+CO2+OH                        +2.00000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!QHO2CH2CHCHO+O2<=>HO2CH2CH(OO)CHO                 +6.65000000E+022 -3.28000000E+000 +2.69488000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ALPHA_SCISSION
!___________________________________________________________________________________________________________ 
C2H5CO<=>C2H5+CO                                   5.78E+014 0.00 16843.51   !\Author: SD \Ref: J.M. SIMMIE, J.PHYS.CHEM 2012 !\Comment: NC3H7CO<=>NC3H7+CO
!DONG 0923!
!DONG 0923!C2H5CO<=>C2H5+CO                                  +2.80000000E+012 +0.00000000E+000 +1.31500000E+004 !\Author: SP\ \Ref !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!PLOG /                           +9.86900000E-004 +2.71000000E+004 +2.24000000E+000 +5.79000000E+004 /
!DONG 0923!PLOG /                           +9.86900000E-004 +7.50000000E+019 -3.79000000E+000 +1.31000000E+004 /
!DONG 0923!PLOG /                           +9.86900000E-003 +1.03000000E+034 -8.02000000E+000 +1.72200000E+004 /
!DONG 0923!PLOG /                           +9.86900000E-003 +2.96000000E+032 -6.92000000E+000 +2.44200000E+004 /
!DONG 0923!PLOG /                           +9.86900000E-002 +2.12000000E+034 -7.75000000E+000 +1.77000000E+004 /
!DONG 0923!PLOG /                           +9.86900000E-002 +3.76000000E+038 -8.36000000E+000 +2.86900000E+004 /
!DONG 0923!PLOG /                           +9.86900000E-001 +5.84000000E+033 -7.20000000E+000 +1.81800000E+004 /
!DONG 0923!PLOG /                           +9.86900000E-001 +1.53000000E+061 -1.46000000E+001 +4.32200000E+004 /
!DONG 0923!PLOG /                           +9.86900000E+000 +5.82000000E+031 -6.20000000E+000 +1.84700000E+004 /
!DONG 0923!PLOG /                           +9.86900000E+000 +1.39000000E+151 -4.03300000E+001 +9.93900000E+004 /
!DONG 0923!PLOG /                           +9.86900000E+001 +2.80000000E+012 +0.00000000E+000 +1.31500000E+004 /
!PLOG /                           +9.86900000E+001 +2.22000000E+037 -7.65000000E+000 +2.17200000E+004 /
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C2H5CHO
!----------------------------------------------------------------------------------------------------------------------------------

!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C3H6O3
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: UNDEFINED
!___________________________________________________________________________________________________________ 
C3H6O3=>3CH2O                                      +3.58000000E+012 +0.00000000E+000 +3.69383300E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O3+OH=>H2O+2CH2O+HCO                           +8.19000000E+012 +0.00000000E+000 +4.60000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O3+H=>H2+2CH2O+HCO                             +1.72200000E+008 +1.90000000E+000 +6.74860000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O3+O=>OH+2CH2O+HCO                             +5.43000000E+013 +0.00000000E+000 +7.08000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O3+HO2=>H2O2+2CH2O+HCO                         +1.23300000E+004 +2.50000000E+000 +1.42100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O3+O2=>HO2+2CH2O+HCO                           +3.69000000E+006 +3.00000000E+000 +5.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6O3+CH3=>CH4+2CH2O+HCO                          +1.09100000E-006 +5.42000000E+000 +4.99800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!_____________________________________________________________________________
!\REACTIONCLASS: \UNIMOL                            \A             \N        \EA  
!______________________________________________________________________________
C4H8OOH1-3=>OH+CH2O+C3H6                          +1.23000000E+009 +1.30000000E+000 +2.49000000E+004 !\Author: WARNING !\Ref: VILLANO(FROM KUIWEN'S MECH) !\Comment: WARNING 
C4H8OOH2-4=>OH+CH3CHO+C2H4                        +3.08000000E+008 +1.50000000E+000 +2.35000000E+004 !\Author: WARNING !\Ref: VILLANO(FROM KUIWEN'S MECH) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C4H10(+M)<=>C2H5+C2H5(+M)                         +1.35500000E+037 -6.03600000E+000 +9.29290000E+004 !\Author: WARNING !\Ref: BASED ON OEHLSCHLAEGER ET AL. J. PHYS. CHEM. A 2004, 108 !\Comment: WARNING 
LOW /                                             +4.72000000E+018 +0.00000000E+000 +4.95780000E+004 /
TROE /                           +7.99800000E-002 +1.00000000E-020 +3.24300000E+004 +4.85800000E+003 /
C4H10(+M)<=>NC3H7+CH3(+M)                         +6.60000000E+052 -1.06260000E+001 +1.00330000E+005 !\Author: WARNING !\Ref: BASED ON OEHLSCHLAEGER ET AL. J. PHYS. CHEM. A 2004, 108 !\Comment: WARNING 
LOW /                                             +5.34000000E+017 +0.00000000E+000 +4.29590000E+004 /
TROE /                           +9.50200000E-002 +1.00000000E-020 +5.34800000E+003 +4.32600000E+003 /
C4H10<=>PC4H9+H                                   +1.49000000E+027 -3.15000000E+000 +1.07323000E+005 !\Author: WARNING !\Ref: ESTIMATE FROM RECOMBINATION(1E14 0 0) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.45000000E+090 -2.19100000E+001 +1.40564000E+005 /
PLOG /                           +1.00000000E-001 +4.63000000E+076 -1.76400000E+001 +1.34669000E+005 /
PLOG /                           +1.00000000E+000 +4.94000000E+058 -1.23200000E+001 +1.25435000E+005 /
PLOG /                           +1.00000000E+001 +4.80000000E+040 -7.06000000E+000 +1.15302000E+005 /
PLOG /                           +1.00000000E+002 +1.49000000E+027 -3.15000000E+000 +1.07323000E+005 /
C4H10<=>SC4H9+H                                   +5.40000000E+026 -3.05000000E+000 +1.03313000E+005 !\Author: WARNING !\Ref: ESTIMATE FROM RECOMBINATION(1E14 0 0) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.10000000E+088 -2.12400000E+001 +1.36355000E+005 /
PLOG /                           +1.00000000E-001 +4.34000000E+073 -1.67600000E+001 +1.29590000E+005 /
PLOG /                           +1.00000000E+000 +7.39000000E+055 -1.15200000E+001 +1.20199000E+005 /
PLOG /                           +1.00000000E+001 +8.52000000E+038 -6.58000000E+000 +1.10556000E+005 /
PLOG /                           +1.00000000E+002 +5.40000000E+026 -3.05000000E+000 +1.03313000E+005 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH+O2<=>O2QOOH
!___________________________________________________________________________________________________________ 
C4H8OOH1-2+O2<=>C4H8OOH1-2O2                      +1.74400000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H8OOH1-3+O2<=>C4H8OOH1-3O2                      +1.74400000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H8OOH1-4+O2<=>C4H8OOH1-4O2                      +3.43300000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H8OOH2-1+O2<=>C4H8OOH2-1O2                      +3.43300000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H8OOH2-3+O2<=>C4H8OOH2-3O2                      +1.74400000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H8OOH2-4+O2<=>C4H8OOH2-4O2                      +3.43300000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH_H_ABSTRACTION
!___________________________________________________________________________________________________________ 
C4H10+H<=>PC4H9+H2                                +3.49000000E+005 +2.69000000E+000 +6.45000000E+003 !\Author: WARNING !\Ref: TSANG, W. J. PHYS. CHEM. \Ref. DATA 17, 887(1988) !\Comment: WARNING 
C4H10+O2<=>PC4H9+HO2                              +6.00000000E+013 +0.00000000E+000 +5.23400000E+004 !\Author: WARNING !\Ref: ANALOGY WITH C4H10+O2<=>PC4H9+HO2 !\Comment: WARNING 
C4H10+O<=>PC4H9+OH                                +1.13000000E+014 +0.00000000E+000 +7.85000000E+003 !\Author: WARNING !\Ref: MICHAEL, KEIL AND KLEM, INT. J. CHEM. KIN. 15, 705(1983) !\Comment: WARNING 
C4H10+OH<=>PC4H9+H2O                              +1.05400000E+010 +9.70000000E-001 +1.58600000E+003 !\Author: WARNING !\Ref: DROEGE, A. T. AND TULLY, F. P. !\Comment: WARNING 
C4H10+HO2<=>PC4H9+H2O2                            +2.08000000E+001 +3.59000000E+000 +1.56000000E+004 !\Author: SP !\Ref: 60% OF NEW FIT !\Comment: WARNING 
C4H10+CH3<=>PC4H9+CH4                             +3.45000000E+001 +3.44000000E+000 +1.04000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H10+CH3O<=>PC4H9+CH3OH                          +3.00000000E+011 +0.00000000E+000 +7.00000000E+003 !\Author: WARNING !\Ref: DRYER ESTIMATE !\Comment: WARNING 
C4H10+C2H5<=>PC4H9+C2H6                           +1.58000000E+011 +0.00000000E+000 +1.23000000E+004 !\Author: WARNING !\Ref: ALLARA, D. L. AND SHAW, R., J. PHYS. CHEM. \Ref. DATA 9, 523(1980) !\Comment: WARNING 
C4H10+C2H3<=>PC4H9+C2H4                           +1.00000000E+012 +0.00000000E+000 +1.80000000E+004 !\Author: WARNING !\Ref: SUNDARAM, K. M. AND FROMENT, G. F., I. AND E. C. FUNDAMENTALS 17, 174(1978) !\Comment: WARNING 
C4H10+C2H5O<=>PC4H9+C2H5OH                        +3.00000000E+011 +0.00000000E+000 +7.00000000E+003 !\Author: WARNING !\Ref: ANOLOGY TO CH3O !\Comment: WARNING 
C4H10+C3H5-A<=>PC4H9+C3H6                         +7.94000000E+011 +0.00000000E+000 +2.05000000E+004 !\Author: WARNING !\Ref: ALLARA, D. L. AND SHAW, R., J. PHYS. CHEM. \Ref. DATA 9, 523(1980) !\Comment: WARNING 
C4H10+NC3H7O2<=>PC4H9+NC3H7O2H                    +1.70000000E+013 +0.00000000E+000 +2.04600000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H6+HO2 !\Comment: WARNING 
C4H10+IC3H7O2<=>PC4H9+IC3H7O2H                    +1.70000000E+013 +0.00000000E+000 +2.04600000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H6+HO2 !\Comment: WARNING 
C4H10+PC4H9<=>SC4H9+C4H10                         +1.00000000E+011 +0.00000000E+000 +1.04000000E+004 !\Author: WARNING !\Ref: WESTBROOK AND PITZ ESTIMATE(1983) !\Comment: WARNING 
C4H10+PC4H9O2<=>PC4H9+PC4H9O2H                    +1.70000000E+013 +0.00000000E+000 +2.04600000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H6+HO2 !\Comment: WARNING 
C4H10+SC4H9O2<=>PC4H9+SC4H9O2H                    +1.70000000E+013 +0.00000000E+000 +2.04600000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H6+HO2 !\Comment: WARNING 
C4H10+IC4H9O2<=>PC4H9+IC4H9O2H                    +1.70000000E+013 +0.00000000E+000 +2.04600000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H6+HO2 !\Comment: WARNING 
C4H10+TC4H9O2<=>PC4H9+TC4H9O2H                    +1.70000000E+013 +0.00000000E+000 +2.04600000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H6+HO2 !\Comment: WARNING 
C4H10+H<=>SC4H9+H2                                +2.60000000E+006 +2.40000000E+000 +4.47100000E+003 !\Author: WARNING !\Ref: TSANG, W. J. PHYS. CHEM. \Ref. DATA 17, 887(1988) !\Comment: WARNING 
C4H10+O2<=>SC4H9+HO2                              +4.00000000E+013 +0.00000000E+000 +4.98000000E+004 !\Author: WARNING !\Ref: INGHAM,T.; WALKER,R.W.; WOOLFORD,R.E., SYMP. INT. COMBUST. PROC. 25, 767-774(1994) !\Comment: WARNING 
C4H10+O<=>SC4H9+OH                                +5.62000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: WARNING !\Ref: MICHAEL, KEIL AND KLEM, INT. J. CHEM. KIN. 15, 705(1983) !\Comment: WARNING 
C4H10+OH<=>SC4H9+H2O                              +9.34000000E+007 +1.61000000E+000 -3.50000000E+001 !\Author: WARNING !\Ref: DROEGE, A. T. AND TULLY, F. P. !\Comment: WARNING 
C4H10+HO2<=>SC4H9+H2O2                            +1.26400000E+002 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: J. AGUILERA-IPARRAGUIRRE ET AL. J PHYS CHEM A(2008) 112(30) !\Comment: WARNING 
C4H10+CH3<=>SC4H9+CH4                             +3.02000000E+000 +3.46000000E+000 +5.48100000E+003 !\Author: WARNING !\Ref: TSANG, W. J. PHYS. CHEM. \Ref. DATA 17, 887(1988) !\Comment: WARNING 
C4H10+CH3O<=>SC4H9+CH3OH                          +6.00000000E+011 +0.00000000E+000 +7.00000000E+003 !\Author: WARNING !\Ref: DRYER ESTIMATE !\Comment: WARNING 
C4H10+C2H5<=>SC4H9+C2H6                           +1.00000000E+011 +0.00000000E+000 +1.04000000E+004 !\Author: WARNING !\Ref: ALLARA, D. L. AND SHAW, R., J. PHYS. CHEM. \Ref. DATA 9, 523(1980) !\Comment: WARNING 
C4H10+C2H3<=>SC4H9+C2H4                           +8.00000000E+011 +0.00000000E+000 +1.68000000E+004 !\Author: WARNING !\Ref: SUNDARAM, K. M. AND FROMENT, G. F., I. AND E. C. FUNDAMENTALS 17, 174(1978) !\Comment: WARNING 
C4H10+C2H5O<=>SC4H9+C2H5OH                        +6.00000000E+011 +0.00000000E+000 +7.00000000E+003 !\Author: WARNING !\Ref: ANOLOGY TO CH3O !\Comment: WARNING 
C4H10+C3H5-A<=>SC4H9+C3H6                         +3.16000000E+011 +0.00000000E+000 +1.64000000E+004 !\Author: WARNING !\Ref: ALLARA, D. L. AND SHAW, R., J. PHYS. CHEM. \Ref. DATA 9, 523(1980) !\Comment: WARNING 
C4H10+NC3H7O2<=>SC4H9+NC3H7O2H                    +1.12000000E+013 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H6+HO2 !\Comment: WARNING 
C4H10+IC3H7O2<=>SC4H9+IC3H7O2H                    +1.12000000E+013 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H6+HO2 !\Comment: WARNING 
C4H10+PC4H9O2<=>SC4H9+PC4H9O2H                    +1.12000000E+013 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H6+HO2 !\Comment: WARNING 
C4H10+SC4H9O2<=>SC4H9+SC4H9O2H                    +1.12000000E+013 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H6+HO2 !\Comment: WARNING 
C4H10+IC4H9O2<=>SC4H9+IC4H9O2H                    +1.12000000E+013 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H6+HO2 !\Comment: WARNING 
C4H10+TC4H9O2<=>SC4H9+TC4H9O2H                    +1.12000000E+013 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H6+HO2 !\Comment: WARNING 
C4H10+CH3O2<=>PC4H9+CH3O2H                        +2.08000000E+001 +3.59000000E+000 +1.76000000E+004 !\Author: SP !\Ref: 60% OF NEW FIT !\Comment: WARNING 
C4H10+CH3O2<=>SC4H9+CH3O2H                        +1.26000000E+002 +3.37000000E+000 +1.52200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H10+C2H5O2<=>PC4H9+C2H5O2H                      +2.08000000E+001 +3.59000000E+000 +1.76000000E+004 !\Author: SP !\Ref: 60% OF NEW FIT !\Comment: WARNING 
C4H10+C2H5O2<=>SC4H9+C2H5O2H                      +1.26000000E+002 +3.37000000E+000 +1.52200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H10+CH3CO3<=>CH3CO3H+PC4H9                      +2.08000000E+001 +3.59000000E+000 +1.11000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H10+CH3CO3<=>CH3CO3H+SC4H9                      +1.26000000E+002 +3.37000000E+000 +8.72000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H10+O2CHO<=>PC4H9+HO2CHO                        +2.08000000E+001 +3.59000000E+000 +1.11000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H10+O2CHO<=>SC4H9+HO2CHO                        +1.26000000E+002 +3.37000000E+000 +8.72000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: O2QOOH<=>ALKENEKHP+HO2
!___________________________________________________________________________________________________________ 
C4H8OOH1-2O2<=>C4H72-1OOH+HO2                     +2.54000000E+010 +8.04000000E-001 +3.00985000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H8OOH1-3O2<=>C4H71-4OOH+HO2                     +5.13000000E+009 +1.00000000E+000 +3.04000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H8OOH1-3O2<=>C4H72-1OOH+HO2                     +2.54000000E+010 +8.04000000E-001 +3.00985000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H8OOH1-4O2<=>C4H71-4OOH+HO2                     +1.44000000E+007 +1.38000000E+000 +2.89000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H8OOH2-3O2<=>C4H71-3OOH+HO2                     +5.13000000E+009 +1.00000000E+000 +3.04000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H8OOH2-4O2<=>C4H71-3OOH+HO2                     +1.44000000E+007 +1.38000000E+000 +2.89000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: O2QOOH<=>POOH
!___________________________________________________________________________________________________________ 
C4H8OOH1-2O2<=>C4H71-3,4OOH                       +1.44000000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H8OOH1-2O2<=>C4H72-3,4OOH                       +1.72000000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H8OOH1-2O2<=>NC4KET12+OH                        +2.44000000E+007 +1.60000000E+000 +2.79000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H8OOH1-3O2<=>C4H71-2,4OOH                       +1.46000000E+009 +1.10000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H8OOH1-3O2<=>C4H72-1,3OOH                       +1.72000000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H8OOH1-3O2<=>NC4KET13+OH                        +1.09000000E+004 +2.40000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H8OOH1-4O2<=>C4H72-1,4OOH                       +1.36000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
DUP
C4H8OOH1-4O2<=>C4H72-1,4OOH                       +4.01000000E+008 +1.10000000E+000 +3.01000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
DUP
C4H8OOH1-4O2<=>NC4KET14+OH                        +4.80000000E+003 +1.70000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H8OOH2-1O2<=>C4H72-3,4OOH                       +1.72000000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H8OOH2-1O2<=>C4H71-3,4OOH                       +1.23000000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H8OOH2-1O2<=>NC4KET21+OH                        +2.76000000E+008 +1.20000000E+000 +2.57000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H8OOH2-3O2<=>C4H71-2,3OOH                       +1.46000000E+009 +1.10000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
DUP
C4H8OOH2-3O2<=>C4H71-2,3OOH                       +1.44000000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
DUP
C4H8OOH2-3O2<=>NC4KET23+OH                        +1.75000000E+006 +1.70000000E+000 +2.60000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H8OOH2-4O2<=>C4H71-2,4OOH                       +1.23000000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H8OOH2-4O2<=>C4H72-1,3OOH                       +4.01000000E+008 +1.10000000E+000 +3.01000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H8OOH2-4O2<=>NC4KET24+OH                        +5.79000000E+001 +2.90000000E+000 +1.70000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+HO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
PC4H9+HO2<=>PC4H9O+OH                             +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
CH3O2+PC4H9<=>CH3O+PC4H9O                         +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
SC4H9+HO2<=>SC4H9O+OH                             +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
SC4H9+CH3O2<=>CH3O+SC4H9O                         +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: POOH<=>RH+OH
!___________________________________________________________________________________________________________ 
C4H71-3,4OOH<=>C4H7O1-3OOH-4+OH                   +2.44000000E+009 +7.80000000E-001 +1.80000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H71-3,4OOH<=>C4H7O1-4OOH-2+OH                   +1.72000000E+009 +7.60000000E-001 +1.11000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H72-3,4OOH<=>C4H7O2-3OOH-1+OH                   +6.99000000E+009 +8.15000000E-001 +9.78830000E+003 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H72-3,4OOH<=>C4H7O1-3OOH-2+OH                   +2.59000000E+009 +6.90000000E-001 +1.60000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H71-2,4OOH<=>C4H7O1-2OOH-4+OH                   +2.35000000E+010 +6.80000000E-001 +1.08000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H71-2,4OOH<=>C4H7O1-4OOH-2+OH                   +1.72000000E+009 +7.60000000E-001 +1.11000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H72-1,3OOH<=>C4H7O1-2OOH-3+OH                   +1.71000000E+009 +1.06000000E+000 +1.09000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H72-1,3OOH<=>C4H7O2-3OOH-1+OH                   +6.99000000E+009 +8.15000000E-001 +9.78830000E+003 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H72-1,4OOH<=>C4H7O1-2OOH-4+OH                   +1.71000000E+009 +1.06000000E+000 +1.09000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H72-1,4OOH<=>C4H7O1-3OOH-4+OH                   +2.59000000E+009 +6.90000000E-001 +1.60000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H71-2,3OOH<=>C4H7O1-2OOH-3+OH                   +2.35000000E+010 +6.80000000E-001 +1.08000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H71-2,3OOH<=>C4H7O1-3OOH-2+OH                   +2.44000000E+009 +7.80000000E-001 +1.80000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H71-3,4OOH=>C2H4+OH+HO2CH2CHO                   +1.23000000E+009 +1.30000000E+000 +2.49000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
!
!DONG 0423
C4H7O1-3OOH-4=>CH2CH2CHO+CH2O+OH                  +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C4H7O1-4OOH-2=>OCH2CHO+C2H4+OH                    +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C4H7O2-3OOH-1=>CCYCCJO+CH2O+OH                    +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C4H7O1-3OOH-2=>CH2CHO+CH3CHO+OH                   +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C4H7O1-2OOH-4=>CJCYCCO+CH2O+OH                    +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C4H7O1-2OOH-3=>CH3CHO+C2H3O1-2+OH                 +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C2H5+CH3CHO<=>SC4H9O                              +3.33000000E+010 +0.00000000E+000 +6.39700000E+003 !\Author: WARNING !\Ref: HENRY J. CURRAN INTERNATIONAL JOURNAL OF CHEMICAL KINETICS(2006) 38 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: POOH<=>RH+HO2
!___________________________________________________________________________________________________________ 
C4H72-3,4OOH<=>C4H72-1OOH+HO2                     +2.56800000E+011 +5.38000000E-001 +1.53247000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H71-2,4OOH<=>C4H71-4OOH+HO2                     +2.67000000E+011 +5.00000000E-001 +1.58000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H72-1,3OOH<=>C4H72-1OOH+HO2                     +2.56800000E+011 +5.38000000E-001 +1.53247000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H72-1,3OOH<=>C4H71-3OOH+HO2                     +6.03000000E+009 +9.50000000E-001 +1.52000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H72-1,4OOH<=>C4H71-4OOH+HO2                     +2.56800000E+011 +5.38000000E-001 +1.53247000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H71-2,3OOH<=>C4H71-3OOH+HO2                     +6.03000000E+009 +9.50000000E-001 +1.52000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C4H72-1,4OOH<=>C4H72-1OOH+HO2                     +2.67000000E+011 +5.00000000E-001 +1.58000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
PC4H9+O2<=>C4H8-1+HO2                             +8.37000000E-001 +3.59000000E+000 +1.19600000E+004 !\Author: WARNING !\Ref: IN ARAMCO(BASED ON KLIPPENSTEIN ET AL. N,IC3H7+O2) !\Comment: WARNING 
SC4H9+O2<=>C4H8-1+HO2                             +5.35000000E-001 +3.71000000E+000 +9.32200000E+003 !\Author: WARNING !\Ref: IN ARAMCO(BASED ON KLIPPENSTEIN ET AL. N,IC3H7+O2) !\Comment: WARNING 
SC4H9+O2<=>C4H8-2+HO2                             +1.07000000E+000 +3.71000000E+000 +9.32200000E+003 !\Author: WARNING !\Ref: IN ARAMCO(BASED ON KLIPPENSTEIN ET AL. N,IC3H7+O2) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>RO2
!___________________________________________________________________________________________________________ 
PC4H9+O2<=>PC4H9O2                                +6.86500000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: MIYOSHI !\Comment: WARNING 
SC4H9+O2<=>SC4H9O2                                +3.48700000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: MIYOSHI !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: KHP_HOMOLYTIC_FISSION
!___________________________________________________________________________________________________________ 
NC4KET12=>C2H5CHO+HCO+OH                          +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC4KET13=>CH3CHO+CH2CHO+OH                        +1.05000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: EA+1.4K,20140430 KWZ 
NC4KET14=>CH2CH2CHO+CH2O+OH                       +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC4KET21=>CH2O+C2H5CO+OH                          +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC4KET23=>CH3CHO+CH3CO+OH                         +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC4KET24=>CH2O+CH3COCH2+OH                        +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: EA+1K,20140430 KWZ 
!===========================================================================================================
!\SUBSPECIES: PC4H9O2
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
PC4H9O2+H2<=>PC4H9O2H+H                           +3.01000000E+013 +0.00000000E+000 +2.60300000E+004 !\Author: WARNING !\Ref: TSANG & HAMPSON, METHANE, J. PHYS. CHEM. \Ref. DATA, VOL 15, 1986 !\Comment: WARNING 
PC4H9O2+HO2<=>PC4H9O2H+O2                         +1.75000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: TSANG, JPC \Ref. DATA, 16 !\Comment: WARNING 
PC4H9O2+H2O2<=>PC4H9O2H+HO2                       +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: ANALOGY TO H2O2+CH3O2<=>HO2+CH3O2H !\Comment: WARNING 
PC4H9O2+CH4<=>PC4H9O2H+CH3                        +1.12000000E+013 +0.00000000E+000 +2.46400000E+004 !\Author: WARNING !\Ref: ANALOGY TO CH4+HO2 !\Comment: WARNING 
PC4H9O2+CH3OH<=>PC4H9O2H+CH2OH                    +6.30000000E+012 +0.00000000E+000 +1.93600000E+004 !\Author: WARNING !\Ref: ANALOGY TO CH3OH+HO2 !\Comment: WARNING 
PC4H9O2+CH2O<=>PC4H9O2H+HCO                       +5.60000000E+012 +0.00000000E+000 +1.36000000E+004 !\Author: WARNING !\Ref: ANALOGY TO CH2O+HO2 !\Comment: WARNING 
PC4H9O2+C2H6<=>PC4H9O2H+C2H5                      +1.70000000E+013 +0.00000000E+000 +2.04600000E+004 !\Author: WARNING !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
PC4H9O2+CH3CHO<=>PC4H9O2H+CH3CO                   +2.80000000E+012 +0.00000000E+000 +1.36000000E+004 !\Author: WARNING !\Ref: HALF OF CH2O+HO2 !\Comment: WARNING 
PC4H9O2+C2H4<=>PC4H9O2H+C2H3                      +1.13000000E+013 +0.00000000E+000 +3.04300000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H4+HO2 !\Comment: WARNING 
PC4H9O2+C3H6<=>PC4H9O2H+C3H5-A                    +5.35000000E-002 +4.20700000E+000 +1.32881000E+004 !\Author: WARNING !\Ref: ANALOGY TO C3H6+HO2 !\Comment: WARNING 
PC4H9O2+C2H5CHO<=>PC4H9O2H+C2H5CO                 +2.00000000E+011 +0.00000000E+000 +9.50000000E+003 !\Author: WARNING !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
PC4H9O2+C2H3CHO<=>PC4H9O2H+C2H3CO                 +2.80000000E+012 +0.00000000E+000 +1.36000000E+004 !\Author: WARNING !\Ref: HALF OF CH2O+HO2 !\Comment: WARNING 
PC4H9O2+C3H8<=>PC4H9O2H+NC3H7                     +1.70000000E+013 +0.00000000E+000 +2.04600000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H6+HO2 !\Comment: WARNING 
PC4H9O2+C3H8<=>PC4H9O2H+IC3H7                     +2.00000000E+012 +0.00000000E+000 +1.70000000E+004 !\Author: WARNING !\Ref: WALKER, R. W., REACTION KINETICS, VOL. 1, S. P. R. CHEMICAL SOCIETY, 1975 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
PC4H9O2+CH3<=>PC4H9O+CH3O                         +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
PC4H9O2+C2H5<=>PC4H9O+C2H5O                       +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
PC4H9O2+IC3H7<=>PC4H9O+IC3H7O                     +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
PC4H9O2+NC3H7<=>PC4H9O+NC3H7O                     +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
PC4H9O2+C3H5-A<=>PC4H9O+C3H5O                     +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
PC4H9O2+PC4H9<=>PC4H9O+PC4H9O                     +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
PC4H9O2+SC4H9<=>PC4H9O+SC4H9O                     +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
PC4H9O2+C4H71-3<=>PC4H9O+C4H71-O                  +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: KHP_HOMOLYTIC_FISSION
!___________________________________________________________________________________________________________ 
PC4H9O2H<=>PC4H9O+OH                              +1.50000000E+016 +0.00000000E+000 +4.25000000E+004 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2+RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
PC4H9O2+CH3O2=>PC4H9O+CH3O+O2                     +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PC4H9O2+CH3CO3=>PC4H9O+CH3CO2+O2                  +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PC4H9O2+C2H5O2=>PC4H9O+C2H5O+O2                   +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PC4H9O2+NC3H7O2=>PC4H9O+NC3H7O+O2                 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PC4H9O2+IC3H7O2=>PC4H9O+IC3H7O+O2                 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PC4H9O2+PC4H9O2=>PC4H9O+PC4H9O+O2                 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PC4H9O2+SC4H9O2=>PC4H9O+SC4H9O+O2                 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>QOOH
!___________________________________________________________________________________________________________ 
PC4H9O2<=>C4H8OOH1-2                              +4.00900000E+008 +1.10000000E+000 +3.01000000E+004 !\Author: WARNING !\Ref: SHARMA !\Comment: A FACTOR REVALUED 20140425 KWZ 2.005E+008 1.100 30100.0 
PC4H9O2<=>C4H8OOH1-3                              +1.36000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: SHARMA !\Comment: A FACTOR REVALUED 20140425 KWZ 6.798E+006 1.300 18200.0 
PC4H9O2<=>C4H8OOH1-4                              +1.23300000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: SHARMA !\Comment: A FACTOR REVALUED 20140425 KWZ 4.111E+005 1.500 20000.0 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>ALKENE+HO2
!___________________________________________________________________________________________________________ 
PC4H9O2<=>C4H8-1+HO2                              +1.25800000E+008 +1.38000000E+000 +2.89000000E+004 !\Author: WARNING !\Ref: VILLANO !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: PC4H9O2
!===========================================================================================================

!===========================================================================================================
!\SUBSPECIES: SC4H9O2
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
PC4H9+IC3H7O2<=>PC4H9O+IC3H7O                     +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
PC4H9+NC3H7O2<=>PC4H9O+NC3H7O                     +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
PC4H9+SC4H9O2<=>PC4H9O+SC4H9O                     +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
SC4H9+IC3H7O2<=>SC4H9O+IC3H7O                     +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
SC4H9+NC3H7O2<=>SC4H9O+NC3H7O                     +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
SC4H9O2+H2<=>SC4H9O2H+H                           +3.01000000E+013 +0.00000000E+000 +2.60300000E+004 !\Author: WARNING !\Ref: TSANG & HAMPSON, METHANE, J. PHYS. CHEM. \Ref. DATA, VOL 15, 1986 !\Comment: WARNING 
SC4H9O2+HO2<=>SC4H9O2H+O2                         +1.75000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
SC4H9O2+CH2O<=>SC4H9O2H+HCO                       +5.60000000E+012 +0.00000000E+000 +1.36000000E+004 !\Author: WARNING !\Ref: ANALOGY TO CH2O+HO2 !\Comment: WARNING 
SC4H9O2+CH3CHO<=>SC4H9O2H+CH3CO                   +2.80000000E+012 +0.00000000E+000 +1.36000000E+004 !\Author: WARNING !\Ref: ANALOGY TO CH2O+HO2 !\Comment: WARNING 
SC4H9O2+C2H6<=>SC4H9O2H+C2H5                      +1.70000000E+013 +0.00000000E+000 +2.04600000E+004 !\Author: WARNING !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
SC4H9O2+C2H5CHO<=>SC4H9O2H+C2H5CO                 +2.00000000E+011 +0.00000000E+000 +9.50000000E+003 !\Author: WARNING !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
SC4H9O2+C3H6<=>SC4H9O2H+C3H5-A                    +5.35000000E-002 +4.20700000E+000 +1.32881000E+004 !\Author: WARNING !\Ref: ANALOGY TO C3H6+HO2 !\Comment: WARNING 
SC4H9O2+C2H4<=>SC4H9O2H+C2H3                      +1.13000000E+013 +0.00000000E+000 +3.04300000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H4+HO2 !\Comment: WARNING 
SC4H9O2+CH3OH<=>SC4H9O2H+CH2OH                    +6.30000000E+012 +0.00000000E+000 +1.93600000E+004 !\Author: WARNING !\Ref: ANALOGY TO CH3OH+HO2 !\Comment: WARNING 
SC4H9O2+C2H3CHO<=>SC4H9O2H+C2H3CO                 +2.80000000E+012 +0.00000000E+000 +1.36000000E+004 !\Author: WARNING !\Ref: HALF OF CH2O+HO2 !\Comment: WARNING 
SC4H9O2+CH4<=>SC4H9O2H+CH3                        +1.12000000E+013 +0.00000000E+000 +2.46400000E+004 !\Author: WARNING !\Ref: ANALOGY TO CH4+HO2 !\Comment: WARNING 
SC4H9O2+H2O2<=>SC4H9O2H+HO2                       +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: ANALOGY TO H2O2+CH3O2<=>HO2+CH3O2H !\Comment: WARNING 
SC4H9O2+C3H8<=>SC4H9O2H+NC3H7                     +1.70000000E+013 +0.00000000E+000 +2.04600000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H6+HO2 !\Comment: WARNING 
SC4H9O2+C3H8<=>SC4H9O2H+IC3H7                     +2.00000000E+012 +0.00000000E+000 +1.70000000E+004 !\Author: WARNING !\Ref: WALKER, R. W., REACTION KINETICS, VOL. 1, S. P. R. CHEMICAL SOCIETY, 1975 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2+RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
SC4H9O2+CH3O2=>SC4H9O+CH3O+O2                     +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
SC4H9O2+CH3CO3=>SC4H9O+CH3CO2+O2                  +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
SC4H9O2+NC3H7O2=>SC4H9O+NC3H7O+O2                 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
SC4H9O2+IC3H7O2=>SC4H9O+IC3H7O+O2                 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
SC4H9O2+SC4H9O2=>SC4H9O+SC4H9O+O2                 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
SC4H9O2+C2H5O2=>SC4H9O+C2H5O+O2                   +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
SC4H9O2+CH3<=>SC4H9O+CH3O                         +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
SC4H9O2+C2H5<=>SC4H9O+C2H5O                       +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
SC4H9O2+IC3H7<=>SC4H9O+IC3H7O                     +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
SC4H9O2+NC3H7<=>SC4H9O+NC3H7O                     +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
SC4H9O2+SC4H9<=>SC4H9O+SC4H9O                     +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
SC4H9O2+C3H5-A<=>SC4H9O+C3H5O                     +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
SC4H9O2+C4H71-3<=>SC4H9O+C4H71-O                  +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: KHP_HOMOLYTIC_FISSION
!___________________________________________________________________________________________________________ 
SC4H9O+OH<=>SC4H9O2H                              +1.00000000E+015 -8.00000000E-001 +0.00000000E+000 !\Author: WARNING !\Ref: PITZ ESTIMATE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>QOOH
!___________________________________________________________________________________________________________ 
SC4H9O2<=>C4H8OOH2-1                              +1.45800000E+009 +1.10000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: SHARMA !\Comment: A FACTOR REVALUED 20140425 KWZ 4.862E+008 1.100 33500.0 
SC4H9O2<=>C4H8OOH2-3                              +1.71600000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: SHARMA !\Comment: A FACTOR REVALUED 20140425 KWZ 8.580E+008 0.900 29500.0 
SC4H9O2<=>C4H8OOH2-4                              +1.43900000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: SHARMA !\Comment: A FACTOR REVALUED 20140425 KWZ 4.795E+006 1.400 20800.0 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH<=>ALKENE_HO2
!___________________________________________________________________________________________________________ 
SC4H9O2<=>C4H8-1+HO2                              +5.13000000E+009 +1.00000000E+000 +3.04000000E+004 !\Author: WARNING !\Ref: VILLANO !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH<=>CYCETH+OH
!___________________________________________________________________________________________________________ 
C4H8OOH1-2<=>C4H8O1-2+OH                          +1.71000000E+009 +1.06000000E+000 +1.09000000E+004 !\Author: WARNING !\Ref: VILLANO(FROM KUIWEN'S MECH) !\Comment: WARNING 
C4H8OOH1-3<=>C4H8O1-3+OH                          +2.59000000E+009 +6.90000000E-001 +1.60000000E+004 !\Author: WARNING !\Ref: VILLANO(FROM KUIWEN'S MECH) !\Comment: WARNING 
C4H8OOH1-4<=>C4H8O1-4+OH                          +1.72000000E+008 +7.60000000E-001 +1.11000000E+004 !\Author: WARNING !\Ref: VILLANO(FROM KUIWEN'S MECH) !\Comment: WARNING 
C4H8OOH2-1<=>C4H8O1-2+OH                          +2.35000000E+010 +6.80000000E-001 +1.08000000E+004 !\Author: WARNING !\Ref: VILLANO(FROM KUIWEN'S MECH) !\Comment: WARNING 
C4H8OOH2-3<=>C4H8O2-3+OH                          +4.78000000E+009 +7.90000000E-001 +9.60000000E+003 !\Author: WARNING !\Ref: VILLANO(FROM KUIWEN'S MECH) !\Comment: WARNING 
C4H8OOH2-4<=>C4H8O1-3+OH                          +2.44000000E+009 +7.80000000E-001 +1.80000000E+004 !\Author: WARNING !\Ref: VILLANO(FROM KUIWEN'S MECH) !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: SC4H9O2
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: SC4H9O
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C2H5COCH3+H<=>SC4H9O                              +2.70000000E+007 +1.75632570E+000 +6.20615190E+003 !\Author: WARNING !\Ref: J. ZA DOR, J.A. MILLER / PROCEEDINGS OF THE COMBUSTION INSTITUTE 34(2013) 519 C526 !\Comment: WARNING 
C2H5CHO+CH3<=>SC4H9O                              +1.20000000E+004 +2.28382560E+000 +7.97810230E+003 !\Author: WARNING !\Ref: J. ZA DOR, J.A. MILLER / PROCEEDINGS OF THE COMBUSTION INSTITUTE 34(2013) 519 C526 !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: SC4H9O
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: C4_CYC_ETH
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTIONLUMPED
!___________________________________________________________________________________________________________ 
C4H8O1-2+H=>C2H5COCH2+H2                          +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O1-2+O=>C2H5COCH2+OH                          +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O1-2+OH=>C2H5COCH2+H2O                        +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O1-2+HO2=>C2H5COCH2+H2O2                      +5.00000000E+012 +0.00000000E+000 +1.50000000E+004 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O1-2+CH3=>C2H5COCH2+CH4                       +1.00000000E+011 +0.00000000E+000 +1.00000000E+004 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O1-2+CH3O2=>C2H5COCH2+CH3O2H                  +5.00000000E+012 +0.00000000E+000 +1.90000000E+004 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O1-2+H=>C2H3CHO+CH3+H2                        +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O1-2+O=>C2H3CHO+CH3+OH                        +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O1-2+OH=>C2H3CHO+CH3+H2O                      +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O1-2+HO2=>C2H3CHO+CH3+H2O2                    +5.00000000E+012 +0.00000000E+000 +1.50000000E+004 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O1-2+CH3=>C2H3CHO+CH3+CH4                     +1.00000000E+011 +0.00000000E+000 +1.00000000E+004 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O1-2+CH3O2=>C2H3CHO+CH3+CH3O2H                +5.00000000E+012 +0.00000000E+000 +1.90000000E+004 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O1-3+H=>C3H6+HCO+H2                           +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O1-3+O=>C3H6+HCO+OH                           +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O1-3+OH=>C3H6+HCO+H2O                         +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O1-3+HO2=>C3H6+HCO+H2O2                       +5.00000000E+012 +0.00000000E+000 +1.50000000E+004 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O1-3+CH3=>C3H6+HCO+CH4                        +1.00000000E+011 +0.00000000E+000 +1.00000000E+004 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O1-3+CH3O2=>C3H6+HCO+CH3O2H                   +5.00000000E+012 +0.00000000E+000 +1.90000000E+004 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O1-3+H=>C2H4+CH3CO+H2                         +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O1-3+O=>C2H4+CH3CO+OH                         +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O1-3+OH=>C2H4+CH3CO+H2O                       +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O1-3+HO2=>C2H4+CH3CO+H2O2                     +5.00000000E+012 +0.00000000E+000 +1.50000000E+004 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O1-3+CH3=>C2H4+CH3CO+CH4                      +1.00000000E+011 +0.00000000E+000 +1.00000000E+004 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O1-3+CH3O2=>C2H4+CH3CO+CH3O2H                 +5.00000000E+012 +0.00000000E+000 +1.90000000E+004 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O1-4+H=>CH2CHO+C2H4+H2                        +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O1-4+O=>CH2CHO+C2H4+OH                        +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O1-4+OH=>CH2CHO+C2H4+H2O                      +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O1-4+HO2=>CH2CHO+C2H4+H2O2                    +1.00000000E+013 +0.00000000E+000 +1.50000000E+004 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O1-4+CH3=>CH2CHO+C2H4+CH4                     +2.00000000E+011 +0.00000000E+000 +1.00000000E+004 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O1-4+CH3O2=>CH2CHO+C2H4+CH3O2H                +1.00000000E+013 +0.00000000E+000 +1.90000000E+004 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O2-3+H=>CH2CH2COCH3+H2                        +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O2-3+OH=>CH2CH2COCH3+H2O                      +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O2-3+O=>CH2CH2COCH3+OH                        +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O2-3+HO2=>CH2CH2COCH3+H2O2                    +1.00000000E+013 +0.00000000E+000 +1.50000000E+004 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O2-3+CH3O2=>CH2CH2COCH3+CH3O2H                +1.00000000E+013 +0.00000000E+000 +1.90000000E+004 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
C4H8O2-3+CH3=>CH2CH2COCH3+CH4                     +2.00000000E+011 +0.00000000E+000 +1.00000000E+004 !\Author: SP !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C4H7O12-4=>CH2CHO+C2H4                            +5.36000000E+012 -8.00000000E-002 +1.07900000E+004 !\Author: SP ! ! !RATES MODIFIED BY GOUTHAM !\Ref: WARNING !\Comment: WARNING 
C4H7O13-4=>C2H4+CH2CHO                            +5.36000000E+012 -8.00000000E-002 +1.07900000E+004 !\Author: SP ! ! !RATES MODIFIED BY GOUTHAM !\Ref: WARNING !\Comment: WARNING 
C4H7O23-1=>CH3+C2H3CHO                            +5.36000000E+012 -8.00000000E-002 +1.07900000E+004 !\Author: SP ! ! !RATES MODIFIED BY GOUTHAM !\Ref: WARNING !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: C4_CYC_ETH
!===========================================================================================================
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C4H10
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: IC4H10
!\MECHCOMMENTS: NL: \KINETICS AND THERMO UPDATED AS PART OF IC4 09.09.19
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH+O2<=>O2QOOH
!___________________________________________________________________________________________________________ 
IC4H8O2H-I+O2<=>IC4H8OOH-IO2                      +3.44000000E+016 -1.62700000E+000 +1.99000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H8O2H-T+O2<=>IC4H8OOH-TO2                      +4.88000000E+011 +3.25000000E-001 -4.17000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TC4H8O2H-I+O2<=>TC4H8OOH-IO2                      +3.44000000E+016 -1.62700000E+000 +1.99000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
IC4H9+O2<=>IC4H8+HO2                              +8.37000000E-001 +3.59000000E+000 +1.19600000E+004 !\Author: NL !\Ref: IN ARAMCO(BASED ON KLIPPENSTEIN ET AL. N,IC3H7+O2) !\Comment: WARNING 
TC4H9+O2<=>IC4H8+HO2                              +5.35000000E-001 +3.71000000E+000 +9.32200000E+003 !\Author: NL !\Ref: IN ARAMCO(BASED ON KLIPPENSTEIN ET AL. N,IC3H7+O2) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
IC4H10(+M)<=>CH3+IC3H7(+M)                        +2.52000000E+031 -4.10200000E+000 +9.14950000E+004 !\Author: WARNING !\Ref: OEHLSCHLAEGER ET AL. J. PHYS. CHEM. A 2004, 108 !\Comment: WARNING 
LOW /                                             +2.41000000E+019 +0.00000000E+000 +5.25760000E+004 /
TROE /                           +3.66200000E-001 +8.15300000E+002 +6.07900000E+001 +1.00000000E+020 /
IC4H10<=>TC4H9+H                                  +2.51000000E+098 -2.38100000E+001 +1.45300000E+005 !\Author: WARNING !\Ref: OEHLSCHLAEGER ET AL. J. PHYS. CHEM. A 2004, 108 !\Comment: WARNING 
IC4H10<=>IC4H9+H                                  +9.85000000E+095 -2.31100000E+001 +1.47600000E+005 !\Author: WARNING !\Ref: OEHLSCHLAEGER ET AL. J. PHYS. CHEM. A 2004, 108 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH_R_ABSTRACTION
!___________________________________________________________________________________________________________ 
TC4H9O2+CH4<=>TC4H9O2H+CH3                        +1.13000000E+013 +0.00000000E+000 +2.04600000E+004 !\Author: WARNING !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
TC4H9O2+C2H6<=>TC4H9O2H+C2H5                      +1.70000000E+013 +0.00000000E+000 +2.04600000E+004 !\Author: WARNING !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
TC4H9O2+C3H8<=>TC4H9O2H+IC3H7                     +2.00000000E+012 +0.00000000E+000 +1.70000000E+004 !\Author: WARNING !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
TC4H9O2+C3H8<=>TC4H9O2H+NC3H7                     +1.70000000E+013 +0.00000000E+000 +2.04600000E+004 !\Author: WARNING !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
TC4H9O2+CH3OH<=>TC4H9O2H+CH2OH                    +6.30000000E+012 +0.00000000E+000 +1.93600000E+004 !\Author: WARNING !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
TC4H9O2+C2H5OH<=>TC4H9O2H+PC2H4OH                 +6.30000000E+012 +0.00000000E+000 +1.93600000E+004 !\Author: WARNING !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
TC4H9O2+C2H5OH<=>TC4H9O2H+SC2H4OH                 +4.20000000E+012 +0.00000000E+000 +1.50000000E+004 !\Author: WARNING !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
TC4H9O2+CH3CHO<=>TC4H9O2H+CH3CO                   +2.80000000E+012 +0.00000000E+000 +1.36000000E+004 !\Author: WARNING !\Ref: HALF OF CH2O+HO2 !\Comment: WARNING 
TC4H9O2+C2H3CHO<=>TC4H9O2H+C2H3CO                 +2.80000000E+012 +0.00000000E+000 +1.36000000E+004 !\Author: WARNING !\Ref: HALF OF CH2O+HO2 !\Comment: WARNING 
TC4H9O2+C2H5CHO<=>TC4H9O2H+C2H5CO                 +2.80000000E+012 +0.00000000E+000 +1.36000000E+004 !\Author: WARNING !\Ref: HALF OF CH2O+HO2 !\Comment: WARNING 
TC4H9O2+HO2<=>TC4H9O2H+O2                         +1.75000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: ESTIMATE? !\Comment: WARNING 
TC4H9O2+H2O2<=>TC4H9O2H+HO2                       +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
TC4H9O2+CH2O<=>TC4H9O2H+HCO                       +1.30000000E+011 +0.00000000E+000 +9.00000000E+003 !\Author: WARNING !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
TC4H9O2+C2H4<=>TC4H9O2H+C2H3                      +8.59000000E+000 +3.75400000E+000 +2.71320000E+004 !\Author: WARNING !\Ref: PITZ ESTIMATE !\Comment: WARNING 
TC4H9O2+H2<=>TC4H9O2H+H                           +3.01000000E+013 +0.00000000E+000 +2.60300000E+004 !\Author: WARNING !\Ref: TSANG & HAMPSON, METHANE, J. PHYS. CHEM. \Ref. DATA, VOL 15, 1986 !\Comment: WARNING 
TC4H9O2+C3H6<=>TC4H9O2H+C3H5-A                    +5.35000000E-002 +4.20700000E+000 +1.32881000E+004 !\Author: WARNING !\Ref: ANALOGY TO C3H6+HO2 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: O2QOOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
IC4H8OOH-IO2<=>IC4KETII+OH                        +5.20000000E+004 +1.90000000E+000 +1.88000000E+004 !\Author: WARNING !\Ref: GREEN 2003 WARNING !\Comment: WARNING 
IC4H8OOH-TO2<=>IC4KETIT+OH                        +5.50000000E+007 +1.60000000E+000 +2.79000000E+004 !\Author: WARNING !\Ref: GREEN 2003 WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>RO2
!___________________________________________________________________________________________________________ 
IC4H9+O2<=>IC4H9O2                                +6.86000000E+016 -1.62700000E+000 +1.99000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TC4H9+O2<=>TC4H9O2                                +9.75200000E+011 +3.25000000E-001 -4.17000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
IC4H10+CH3<=>IC4H9+CH4                            +5.40000000E+000 +3.65000000E+000 +7.14630000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H10+H<=>IC4H9+H2                               +1.56000000E+008 +1.94300000E+000 +7.89832500E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H10+OH<=>IC4H9+H2O                             +6.70000000E+004 +2.66500000E+000 -1.69000000E+002 !\Author: WARNING !\Ref: JOE MICHAELS SYMP. PAPER 2008. !\Comment: WARNING 
IC4H10+C2H5<=>IC4H9+C2H6                          +1.51000000E+012 +0.00000000E+000 +1.04000000E+004 !\Author: WARNING !\Ref: ALLARA AND SHAW ANALOG !\Comment: WARNING 
IC4H10+HO2<=>IC4H9+H2O2                           +3.12000000E+001 +3.59000000E+000 +1.56000000E+004 !\Author: SP !\Ref: 60% OF NEW RATE !\Comment: WARNING 
IC4H10+O<=>IC4H9+OH                               +4.04600000E+007 +2.03400000E+000 +5.13600000E+003 !\Author: WARNING !\Ref: NIST STANDARD \RefERENCE DATABASE 17 -2Q98 !\Comment: WARNING 
IC4H10+CH3O<=>IC4H9+CH3OH                         +4.80000000E+011 +0.00000000E+000 +7.00000000E+003 !\Author: WARNING !\Ref: ANALOGY TO C3H8+CH3O !\Comment: WARNING 
IC4H10+O2<=>IC4H9+HO2                             +9.00000000E+013 +0.00000000E+000 +5.22900000E+004 !\Author: WARNING !\Ref: ANALOGY WITH C4H10+O2<=>PC4H9+HO2 !\Comment: WARNING 
IC4H10+CH3O2<=>IC4H9+CH3O2H                       +2.77000000E+000 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: J. AGUILERA-IPARRAGUIRRE ET AL. J PHYS CHEM A(2008) 112(30) !\Comment: WARNING 
IC4H10+C2H5O2<=>IC4H9+C2H5O2H                     +2.55000000E+013 +0.00000000E+000 +2.04600000E+004 !\Author: WARNING !\Ref: SCOTT AND WALKER C&F 129(4) 365--377 2002(*1.5) !\Comment: WARNING 
IC4H10+CH3CO3<=>IC4H9+CH3CO3H                     +2.55000000E+013 +0.00000000E+000 +2.04600000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H6+HO2 !\Comment: WARNING 
IC4H10+NC3H7O2<=>IC4H9+NC3H7O2H                   +2.55000000E+013 +0.00000000E+000 +2.04600000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H6+HO2 !\Comment: WARNING 
IC4H10+IC3H7O2<=>IC4H9+IC3H7O2H                   +2.55000000E+013 +0.00000000E+000 +2.04600000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H6+HO2 !\Comment: WARNING 
IC4H10+IC4H9O2<=>IC4H9+IC4H9O2H                   +2.55000000E+013 +0.00000000E+000 +2.04600000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H6+HO2 !\Comment: WARNING 
IC4H10+TC4H9O2<=>IC4H9+TC4H9O2H                   +2.55000000E+013 +0.00000000E+000 +2.04600000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H6+HO2 !\Comment: WARNING 
IC4H10+O2CHO<=>IC4H9+HO2CHO                       +2.52000000E+013 +0.00000000E+000 +2.04400000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H6+HO2 !\Comment: WARNING 
IC4H10+SC4H9O2<=>IC4H9+SC4H9O2H                   +2.25000000E+013 +0.00000000E+000 +2.04600000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H6+HO2 !\Comment: WARNING 
IC4H10+PC4H9O2<=>IC4H9+PC4H9O2H                   +2.25000000E+013 +0.00000000E+000 +2.04600000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H6+HO2 !\Comment: WARNING 
IC4H10+SC4H9O2<=>TC4H9+SC4H9O2H                   +2.80000000E+012 +0.00000000E+000 +1.60000000E+004 !\Author: WARNING !\Ref: WALKER, R. W., 22ND SYMPOSIUM(INTERNATIONAL) ON COMBUSTION SEATTLE, AUGUST, 1988 !\Comment: WARNING 
IC4H10+H<=>TC4H9+H2                               +5.70000000E+007 +1.84900000E+000 +4.07985000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H10+CH3<=>TC4H9+CH4                            +3.60000000E+000 +3.46000000E+000 +4.58900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H10+OH<=>TC4H9+H2O                             +4.85000000E+006 +1.84000000E+000 -9.99600000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H10+C2H5<=>TC4H9+C2H6                          +1.00000000E+011 +0.00000000E+000 +7.90000000E+003 !\Author: WARNING !\Ref: FROM ISOBUTYL RATE !\Comment: WARNING 
IC4H10+HO2<=>TC4H9+H2O2                           +9.75000000E+002 +3.01000000E+000 +1.20900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H10+O<=>TC4H9+OH                               +1.96800000E+005 +2.40200000E+000 +1.15000000E+003 !\Author: WARNING !\Ref: NIST STANDARD \RefERENCE DATABASE 17 -2Q98 !\Comment: WARNING 
IC4H10+CH3O<=>TC4H9+CH3OH                         +1.90000000E+010 +0.00000000E+000 +2.80000000E+003 !\Author: WARNING !\Ref: TAMURA ESTIMATE !\Comment: WARNING 
IC4H10+O2<=>TC4H9+HO2                             +1.00000000E+013 +0.00000000E+000 +4.82000000E+004 !\Author: WARNING !\Ref: INGHAM,T.; WALKER,R.W.; WOOLFORD,R.E., SYMP. INT. COMBUST. PROC. 25, 767-774(1994) !\Comment: WARNING 
IC4H10+O2CHO<=>TC4H9+HO2CHO                       +2.80000000E+012 +0.00000000E+000 +1.60100000E+004 !\Author: WARNING !\Ref: ANALOGY WITH RH+RO2 -->R+RO2H !\Comment: WARNING 
IC4H10+PC4H9O2<=>TC4H9+PC4H9O2H                   +2.80000000E+012 +0.00000000E+000 +1.60000000E+004 !\Author: WARNING !\Ref: WALKER, R. W., 22ND SYMPOSIUM(INTERNATIONAL) ON COMBUSTION SEATTLE, AUGUST, 1988 !\Comment: WARNING 
IC4H10+CH3O2<=>TC4H9+CH3O2H                       +1.36600000E+002 +3.12000000E+000 +1.31900000E+004 !\Author: WARNING !\Ref: J. AGUILERA-IPARRAGUIRRE ET AL. J PHYS CHEM A(2008) 112(30) !\Comment: WARNING 
IC4H10+C2H5O2<=>TC4H9+C2H5O2H                     +2.80000000E+012 +0.00000000E+000 +1.60000000E+004 !\Author: WARNING !\Ref: WALKER, R. W., 22ND SYMPOSIUM(INTERNATIONAL) ON COMBUSTION SEATTLE, AUGUST, 1988 !\Comment: WARNING 
IC4H10+CH3CO3<=>TC4H9+CH3CO3H                     +2.80000000E+012 +0.00000000E+000 +1.60000000E+004 !\Author: WARNING !\Ref: WALKER, R. W., 22ND SYMPOSIUM(INTERNATIONAL) ON COMBUSTION SEATTLE, AUGUST, 1988 !\Comment: WARNING 
IC4H10+NC3H7O2<=>TC4H9+NC3H7O2H                   +2.80000000E+012 +0.00000000E+000 +1.60000000E+004 !\Author: WARNING !\Ref: WALKER, R. W., 22ND SYMPOSIUM(INTERNATIONAL) ON COMBUSTION SEATTLE, AUGUST, 1988 !\Comment: WARNING 
IC4H10+IC3H7O2<=>TC4H9+IC3H7O2H                   +2.80000000E+012 +0.00000000E+000 +1.60000000E+004 !\Author: WARNING !\Ref: WALKER, R. W., 22ND SYMPOSIUM(INTERNATIONAL) ON COMBUSTION SEATTLE, AUGUST, 1988 !\Comment: WARNING 
IC4H10+IC4H9O2<=>TC4H9+IC4H9O2H                   +2.80000000E+012 +0.00000000E+000 +1.60000000E+004 !\Author: WARNING !\Ref: WALKER, R. W., 22ND SYMPOSIUM(INTERNATIONAL) ON COMBUSTION SEATTLE, AUGUST, 1988 !\Comment: WARNING 
IC4H10+TC4H9O2<=>TC4H9+TC4H9O2H                   +2.80000000E+012 +0.00000000E+000 +1.60000000E+004 !\Author: WARNING !\Ref: WALKER, R. W., 22ND SYMPOSIUM(INTERNATIONAL) ON COMBUSTION SEATTLE, AUGUST, 1988 !\Comment: WARNING 
IC4H10+IC4H9<=>TC4H9+IC4H10                       +2.50000000E+010 +0.00000000E+000 +7.90000000E+003 !\Author: WARNING !\Ref: WESTBROOK AND PITZ ESTIMATE(1983) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: O2QOOH<=>ALKENEKHP+HO2
!___________________________________________________________________________________________________________ 
IC4H8OOH-IO2<=>IC4H7OOH+HO2                       +1.26000000E+008 +1.32000000E+000 +2.89000000E+004 !\Author: NL !\Ref: WARNING NO \RefERENCE !\Comment: WARNING 
IC4H8OOH-TO2<=>IC4H7OOH+HO2                       +2.44800000E+010 +8.90000000E-001 +2.95000000E+004 !\Author: NL !\Ref: WARNING NO \RefERENCE !\Comment: WARNING 
TC4H8OOH-IO2<=>IC4H7OOH+HO2                       +2.44800000E+010 +8.90000000E-001 +2.95000000E+004 !\Author: NL !\Ref: WARNING NO \RefERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>ALKENE+HO2
!___________________________________________________________________________________________________________ 
IC4H9O2<=>IC4H8+HO2                               +2.00000000E+008 +1.27000000E+000 +2.96000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: O2QOOH<=>P(OOH)2
!___________________________________________________________________________________________________________ 
IC4H8OOH-TO2<=>TIC4H7Q2-I                         +3.00000000E+009 +1.20000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: GREEN 2003 WARNING !\Comment: WARNING 
IC4H8OOH-IO2<=>IIC4H7Q2-I                         +5.00000000E+007 +1.30000000E+000 +2.15000000E+004 !\Author: WARNING !\Ref: GREEN 2003 WARNING !\Comment: WARNING 
IC4H8OOH-IO2<=>IIC4H7Q2-T                         +2.32000000E+009 +8.00000000E-001 +2.71000000E+004 !\Author: WARNING !\Ref: GREEN 2003 WARNING !\Comment: WARNING 
TC4H8OOH-IO2<=>TIC4H7Q2-I                         +9.82000000E+007 +1.30000000E+000 +2.15000000E+004 !\Author: WARNING !\Ref: GREEN 2003 WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>ALDEHYDE+OH
!___________________________________________________________________________________________________________ 
IC4H9O2<=>IC3H7CHO+OH                             +5.60000000E+004 +2.42000000E+000 +3.65000000E+004 !\Author: WARNING !\Ref: VILLANO_PART-1 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: P(OOH)2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
IIC4H7Q2-I=>AC3H5OOH+CH2O2H                       +2.36000000E+009 +1.20000000E+000 +2.27000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TIC4H7Q2-I<=>IC4H7OOH+HO2                         +1.22000000E+011 +5.70000000E-001 +1.51000000E+004 !\Author: WARNING !\Ref: GREEN 2003 !\Comment: WARNING 
IIC4H7Q2-T<=>IC4H7OOH+HO2                         +1.22000000E+011 +5.70000000E-001 +1.51000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TIC4H7Q2-I=>ET12IC4-1OOH+OH                       +4.45000000E+009 +8.60000000E-001 +1.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IIC4H7Q2-I=>ET12IC4-1OOH+OH                       +6.34000000E+011 +0.00000000E+000 +1.70000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IIC4H7Q2-T=>ET12IC4-1OOH+OH                       +4.45000000E+009 +8.60000000E-001 +1.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
ET12IC4-1OOH=>OH+CH2O+CH3COCH2                    +1.00000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
TC4H9+HO2<=>TC4H9O+OH                             +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
TC4H9+CH3O2<=>TC4H9O+CH3O                         +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
TC4H9+NC3H7O2<=>TC4H9O+NC3H7O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
TC4H9+SC4H9O2<=>TC4H9O+SC4H9O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
TC4H9+PC4H9O2<=>TC4H9O+PC4H9O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
TC4H9+IC3H7O2<=>TC4H9O+IC3H7O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
IC4H9+HO2<=>IC4H9O+OH                             +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
IC4H9+CH3O2<=>IC4H9O+CH3O                         +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
IC4H9+NC3H7O2<=>IC4H9O+NC3H7O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
IC4H9+SC4H9O2<=>IC4H9O+SC4H9O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
IC4H9+PC4H9O2<=>IC4H9O+PC4H9O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
IC4H9+IC3H7O2<=>IC4H9O+IC3H7O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2+RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
IC4H9O2+CH3O2=>IC4H9O+CH3O+O2                     +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H9O2+C2H5O2=>IC4H9O+C2H5O+O2                   +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H9O2+CH3CO3=>IC4H9O+CH3CO2+O2                  +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H9O2+IC4H9O2=>O2+IC4H9O+IC4H9O                 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H9O2+TC4H9O2=>IC4H9O+TC4H9O+O2                 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H9O2+PC4H9O2=>IC4H9O+PC4H9O+O2                 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H9O2+SC4H9O2=>IC4H9O+SC4H9O+O2                 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H9O2+NC3H7O2=>IC4H9O+NC3H7O+O2                 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H9O2+IC3H7O2=>IC4H9O+IC3H7O+O2                 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H9O2+HO2=>IC4H9O+OH+O2                         +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TC4H9O2+CH3O2=>TC4H9O+CH3O+O2                     +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TC4H9O2+C2H5O2=>TC4H9O+C2H5O+O2                   +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TC4H9O2+CH3CO3=>TC4H9O+CH3CO2+O2                  +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TC4H9O2+TC4H9O2=>TC4H9O+TC4H9O+O2                 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TC4H9O2+PC4H9O2=>TC4H9O+PC4H9O+O2                 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TC4H9O2+SC4H9O2=>TC4H9O+SC4H9O+O2                 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TC4H9O2+NC3H7O2=>TC4H9O+NC3H7O+O2                 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TC4H9O2+IC3H7O2=>TC4H9O+IC3H7O+O2                 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TC4H9O2+HO2=>TC4H9O+OH+O2                         +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: KHP_HOMOLYTIC_FISSION
!___________________________________________________________________________________________________________ 
IC4KETII=>CH2O+CH3CHCHO+OH                        +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: NL_ALKANE RATE RULES !\Ref: WARNING !\Comment: WARNING 
IC4KETIT=>CH3COCH3+HCO+OH                         +6.00000000E+015 +0.00000000E+000 +4.30000000E+004 !\Author: NL_ALKANE RATE RULES !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
IC4H9O2+CH3<=>IC4H9O+CH3O                         +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: NL_16.9.19 !\Ref: WARNING !\Comment: WARNING 
IC4H9O2+C2H5<=>IC4H9O+C2H5O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: NL_16.9.19 !\Ref: WARNING !\Comment: WARNING 
IC4H9O2+IC3H7<=>IC4H9O+IC3H7O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: NL_16.9.19 !\Ref: WARNING !\Comment: WARNING 
IC4H9O2+NC3H7<=>IC4H9O+NC3H7O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: NL_16.9.19 !\Ref: WARNING !\Comment: WARNING 
IC4H9O2+PC4H9<=>IC4H9O+PC4H9O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: NL_16.9.19 !\Ref: WARNING !\Comment: WARNING 
IC4H9O2+SC4H9<=>IC4H9O+SC4H9O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: NL_16.9.19 !\Ref: WARNING !\Comment: WARNING 
IC4H9O2+IC4H9<=>IC4H9O+IC4H9O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: NL_16.9.19 !\Ref: WARNING !\Comment: WARNING 
IC4H9O2+TC4H9<=>IC4H9O+TC4H9O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: NL_16.9.19 !\Ref: WARNING !\Comment: WARNING 
IC4H9O2+C3H5-A<=>IC4H9O+C3H5O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: NL_16.9.19 !\Ref: WARNING !\Comment: WARNING 
IC4H9O2+C4H71-3<=>IC4H9O+C4H71-O                  +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: NL_16.9.19 !\Ref: WARNING !\Comment: WARNING 
IC4H9O2+IC4H7<=>IC4H9O+IC4H7O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: NL_16.9.19 !\Ref: WARNING !\Comment: WARNING 
TC4H9O2+CH3<=>TC4H9O+CH3O                         +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: NL_16.9.19 !\Ref: WARNING !\Comment: WARNING 
TC4H9O2+C2H5<=>TC4H9O+C2H5O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: NL_16.9.19 !\Ref: WARNING !\Comment: WARNING 
TC4H9O2+IC3H7<=>TC4H9O+IC3H7O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: NL_16.9.19 !\Ref: WARNING !\Comment: WARNING 
TC4H9O2+NC3H7<=>TC4H9O+NC3H7O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: NL_16.9.19 !\Ref: WARNING !\Comment: WARNING 
TC4H9O2+PC4H9<=>TC4H9O+PC4H9O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: NL_16.9.19 !\Ref: WARNING !\Comment: WARNING 
TC4H9O2+SC4H9<=>TC4H9O+SC4H9O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: NL_16.9.19 !\Ref: WARNING !\Comment: WARNING 
TC4H9O2+IC4H9<=>TC4H9O+IC4H9O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: NL_16.9.19 !\Ref: WARNING !\Comment: WARNING 
TC4H9O2+TC4H9<=>TC4H9O+TC4H9O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: NL_16.9.19 !\Ref: WARNING !\Comment: WARNING 
TC4H9O2+C3H5-A<=>TC4H9O+C3H5O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: NL_16.9.19 !\Ref: WARNING !\Comment: WARNING 
TC4H9O2+C4H71-3<=>TC4H9O+C4H71-O                  +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: NL_16.9.19 !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>QOOH
!___________________________________________________________________________________________________________ 
IC4H9O2<=>IC4H8O2H-I                              +7.14000000E+006 +1.60000000E+000 +2.10000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H9O2<=>IC4H8O2H-T                              +2.32000000E+009 +8.00000000E-001 +2.71000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TC4H9O2<=>TC4H8O2H-I                              +5.02300000E+008 +1.20000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
IC4H8O2H-I<=>CC4H8O+OH                            +3.17500000E+011 +0.00000000E+000 +1.80360000E+004 !\Author: WARNING !\Ref: GREEN 2003 !\Comment: WARNING 
IC4H8O2H-I=>OH+CH2O+C3H6                          +3.08000000E+013 +0.00000000E+000 +2.67688000E+004 !\Author: WARNING !\Ref: GREEN 2003 !\Comment: WARNING 
IC4H8O2H-T<=>IC4H8O+OH                            +3.50000000E+012 +0.00000000E+000 +1.18282000E+004 !\Author: WARNING !\Ref: GREEN 2003 WARNING !\Comment: WARNING 
IC4H8O2H-I<=>AC3H5OOH+CH3                         +5.00000000E+010 +8.30000000E-001 +2.80000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!PZW 220712!IC4H8O2H-T<=>IC4H7OOH+H                           +1.80000000E+009 +1.52000000E+000 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H7OOH+H<=>IC4H8O2H-T             1.80E+22  	    -2.70 	   4638.0  !ANALOGY TO IC4H8+H \Author: JP'S CALCULATION !\Ref: !\Comment: 
!
IC4H8O2H-I<=>IC4H8O2H-T                           +5.26000000E-007 +5.64000000E+000 +2.45410000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!===========================================================================================================
!\SUBSPECIES: TC4H9O
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
CH3COCH3+CH3<=>TC4H9O                             +1.50000000E+011 +0.00000000E+000 +1.19000000E+004 !\Author: WARNING !\Ref: CURRAN INC. INT J CHEM KINET 38 !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: TC4H9O
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: IC4H9O
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>RH+RH
!___________________________________________________________________________________________________________ 
IC4H9O+H<=>IC3H7CHO+H2                            +1.99000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ANALOGY CH3O+X -->CH2O+HX TSANG / HAMPSON 86 !\Comment: WARNING 
IC4H9O+O2<=>IC3H7CHO+HO2                          +1.93000000E+011 +0.00000000E+000 +1.66000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H9O+O<=>IC3H7CHO+OH                            +6.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ANALOGY CH3O+X -->CH2O+HX TSANG / HAMPSON 86 !\Comment: WARNING 
IC4H9O+OH<=>IC3H7CHO+H2O                          +1.81000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ANALOGY CH3O+X -->CH2O+HX TSANG / HAMPSON 86 !\Comment: WARNING 
IC4H9O+HO2<=>IC3H7CHO+H2O2                        +1.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ANALOGY CH3O+X -->CH2O+HX TSANG / HAMPSON 86 !\Comment: WARNING 
IC4H9O+CH3<=>IC3H7CHO+CH4                         +2.40000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ANALOGY CH3O+X -->CH2O+HX TSANG / HAMPSON 86 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
IC3H7CHO+H<=>IC4H9O                               +1.00000000E+012 +0.00000000E+000 +5.86000000E+003 !\Author: WARNING !\Ref: CURRAN INC. INT J CHEM KINET 38 !\Comment: WARNING 
CH2O+IC3H7<=>IC4H9O                               +5.00000000E+010 +0.00000000E+000 +2.33000000E+003 !\Author: WARNING !\Ref: CURRAN INC. INT J CHEM KINET 38 !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: IC4H9O
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: IC3H7CHOIC4H8O\SC4H7OH-I
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
TC3H6CHO+H<=>IC3H7CHO                             +2.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ANALOGY WITH C3H5-A+X -->PRODUCTS. LITERATURE VALUES !\Comment: WARNING 
SC4H7OH-I<=>IC3H7CHO                              +8.59000000E+011 +3.18000000E-001 +5.59000000E+004 !\Author: WARNING !\Ref: AUTOMERIZATION OF 1-PROPENOL(CH3CHCHOH) TO PROPANAL(C2H5CHO) !\Comment: WARNING 
IC3H7+HCO<=>IC3H7CHO                              +1.81000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: TSANG J. PHYS. CHEM. \Ref. DATA 17, 887(1988) !\Comment: WARNING 
IC4H8O<=>IC3H7CHO                                 +4.18000000E+013 +0.00000000E+000 +5.27200000E+004 !\Author: WARNING !\Ref: X 2.0 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
IC3H7CHO+HO2<=>IC3H7CO+H2O2                       +3.00000000E+012 +0.00000000E+000 +1.19200000E+004 !\Author: WARNING !\Ref: BASED ON CH3CHO+HO2 !\Comment: WARNING 
IC3H7CHO+CH3<=>IC3H7CO+CH4                        +3.98000000E+012 +0.00000000E+000 +8.70000000E+003 !\Author: WARNING !\Ref: BIRRELL, R.N.; TROTMAN-DICKENSON, A.F. J. CHEM. SOC. 1960, 2059 !\Comment: WARNING 
IC3H7CHO+O<=>IC3H7CO+OH                           +7.18000000E+012 +0.00000000E+000 +1.38900000E+003 !\Author: WARNING !\Ref: SINGLETON, D.L. ET AL. CAN. J. CHEM. 1977, 55, 3321. !\Comment: WARNING 
IC3H7CHO+O2<=>IC3H7CO+HO2                         +4.00000000E+013 +0.00000000E+000 +3.76000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC3H7CHO+OH<=>IC3H7CO+H2O                         +3.73000000E+004 +2.60000000E+000 -2.30000000E+003 !\Author: NL ! !KUKKADAPU1@LLNL.GOV !REVIEW OF ALDEHYDE+OH=RCO+H2O !\Ref: WARNING !\Comment: WARNING 
IC3H7CHO+H<=>IC3H7CO+H2                           +2.60000000E+012 +0.00000000E+000 +2.60000000E+003 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
IC3H7CHO+OH<=>IC3H6CHO+H2O                        +3.12000000E+006 +2.00000000E+000 -2.98000000E+002 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
IC3H7CHO+HO2<=>IC3H6CHO+H2O2                      +2.74000000E+004 +2.55000000E+000 +1.55000000E+004 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
IC3H7CHO+CH3O2<=>IC3H6CHO+CH3O2H                  +4.76000000E+004 +2.55000000E+000 +1.64900000E+004 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
TC3H6CHO+H2<=>IC3H7CHO+H                          +2.16000000E+005 +2.38000000E+000 +1.89900000E+004 !\Author: WARNING !\Ref: ANALOGY WITH C3H5-A+X -->PRODUCTS. LITERATURE VALUES !\Comment: WARNING 
IC3H7CHO+HO2<=>TC3H6CHO+H2O2                      +8.00000000E+010 +0.00000000E+000 +1.19200000E+004 !\Author: WARNING !\Ref: SYMP. INTL. COMB. PROC. 1979, 17, 525. !\Comment: WARNING 
IC3H7CHO+OH<=>TC3H6CHO+H2O                        +1.68400000E+012 +0.00000000E+000 -7.81000000E+002 !\Author: WARNING !\Ref: SEMMES ET AL. INTL. J. CHEM. KINET. 1985, 17, 303. !\Comment: WARNING 
IC4H8O+OH<=>TC3H6CHO+H2O                          +7.52000000E+004 +2.49000000E+000 -1.47410000E+003 !\Author: WARNING !\Ref: ANALOGY TO C2H5OH+R<=>SC2H4OH+RH !\Comment: WARNING 
IC4H8O+H<=>TC3H6CHO+H2                            +8.79000000E+004 +2.68000000E+000 +2.91000000E+003 !\Author: WARNING !\Ref: ANALOGY TO C2H5OH+R<=>SC2H4OH+RH !\Comment: WARNING 
IC4H8O+HO2<=>TC3H6CHO+H2O2                        +2.45000000E-005 +5.26000000E+000 +7.47510000E+003 !\Author: WARNING !\Ref: ANALOGY TO C2H5OH+R<=>SC2H4OH+RH !\Comment: WARNING 
IC4H8O+CH3O2<=>TC3H6CHO+CH3O2H                    +1.22500000E-005 +5.26000000E+000 +7.47510000E+003 !\Author: WARNING !\Ref: ANALOGY TO C2H5OH+R<=>SC2H4OH+RH !\Comment: WARNING 
IC4H8O+CH3<=>TC3H6CHO+CH4                         +1.99300000E+001 +3.37000000E+000 +7.63400000E+003 !\Author: WARNING !\Ref: ANALOGY TO C2H5OH+R<=>SC2H4OH+RH !\Comment: WARNING 
IC4H8O+O<=>TC3H6CHO+OH                            +1.45000000E+005 +2.47000000E+000 +8.76000000E+002 !\Author: WARNING !\Ref: ANALOGY TO C2H5OH+R<=>SC2H4OH+RH !\Comment: WARNING 
IC4H8O+O2<=>TC3H6CHO+HO2                          +1.50000000E+013 +0.00000000E+000 +5.01500000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H5OH+R<=>SC2H4OH+RH !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
IC3H7+CO<=>IC3H7CO                                +1.50000000E+011 +0.00000000E+000 +4.81000000E+003 !\Author: WARNING !\Ref: NAROZNIK, M; NIEDZIELSKI, J. J. PHOTOCHEM. 1986, 32, 281 !\Comment: WARNING 
C2H3CHO+CH3<=>IC3H6CHO                            +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: IC3H7CHOIC4H8O\SC4H7OH-I
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: TC3H6CHO
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
IC3H5CHO+H<=>TC3H6CHO                             +1.30000000E+013 +0.00000000E+000 +1.20000000E+003 !\Author: WARNING !\Ref: H.J. CURRAN, INTERNATIONAL JOURNAL OF CHEMICAL KINETICS(2006) 38 !\Comment: WARNING 
IC3H6CO+H<=>TC3H6CHO                              +1.30000000E+013 +0.00000000E+000 +4.80000000E+003 !\Author: WARNING !\Ref: H.J. CURRAN, INTERNATIONAL JOURNAL OF CHEMICAL KINETICS(2006) 38 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>PRODUCTS
!___________________________________________________________________________________________________________ 
IC3H6CO+OH<=>IC3H7+CO2                            +1.73000000E+012 +0.00000000E+000 -1.01000000E+003 !\Author: WARNING !\Ref: ANALOGY TO 1C4H8+OH !\Comment: WARNING 
IC3H6CO+OH<=>C3H6OH2-1+CO                         +2.00000000E+012 +0.00000000E+000 -1.01000000E+003 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>RH+RH
!___________________________________________________________________________________________________________ 
TC3H6CHO+HO2<=>IC3H7CHO+O2                        +3.67500000E+012 +0.00000000E+000 +1.31000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TC3H6CHO+CH3<=>IC3H5CHO+CH4                       +3.01000000E+012 -3.20000000E-001 -1.31000000E+002 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
TC3H6CHO+CH2O<=>IC3H7CHO+HCO                      +2.52000000E+008 +1.90000000E+000 +1.81900000E+004 !\Author: WARNING !\Ref: ANALOGY WITH C3H5-A+X -->PRODUCTS. LITERATURE VALUES !\Comment: WARNING 
TC3H6CHO+IC4H8<=>IC3H7CHO+IC4H7                   +4.70000000E+002 +3.30000000E+000 +1.98400000E+004 !\Author: WARNING !\Ref: ANALOGY WITH C3H5-A+X -->PRODUCTS. LITERATURE VALUES !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+HO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
TC3H6OCHO+OH<=>TC3H6CHO+HO2                       +2.01800000E+017 -1.20000000E+000 +2.10100000E+004 !\Author: WARNING !\Ref: ANALOGY WITH C3H5-A+CH3 -->1-C4H8 TSANG 91(PROPENE). !\Comment: WARNING 
TC3H6OCHO<=>CH3COCH3+HCO                          +3.98000000E+013 +0.00000000E+000 +9.70000000E+003 !\Author: WARNING !\Ref: CURRAN AND GAFFURI, 1995. !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+OH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
TC3H6CHO+OH<=>IC3H6OHCHO                          +5.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
C3H6OH2-1+HCO<=>IC3H6OHCHO                        +1.81000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TC3H6CHO+O2=>CO+CH3COCH3+OH                       +1.79000000E+014 -6.00000000E-001 +1.01200000E+004 !\Author: WARNING !\Ref: J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107(19), 3778-3791 !\Comment: WARNING !1 ! !KUKKADAPU1@LLNL.GOV 
PLOG /                           +1.00000000E-002 +5.40000000E+017 -1.84000000E+000 +6.53000000E+003 /
PLOG /                           +1.00000000E-001 +3.04000000E+020 -2.58000000E+000 +8.98000000E+003 /
PLOG /                           +1.00000000E+000 +3.30000000E+019 -2.22000000E+000 +1.03400000E+004 /
PLOG /                           +1.00000000E+001 +1.79000000E+014 -6.00000000E-001 +1.01200000E+004 /
!===========================================================================================================
!\ENDSUBSPECIES: TC3H6CHO
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: IC3H5CHO
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
IC3H5CHO+H<=>IC3H5CO+H2                           +7.14740360E+005 +2.35674000E+000 +1.57716270E+003 !\Author: WARNING !\Ref: ANALOGOUS TO ISOBUTERALDEHYDE+X !\Comment: WARNING 
IC3H5CHO+O2<=>IC3H5CO+HO2                         +2.00000000E+013 +0.00000000E+000 +4.07000000E+004 !\Author: WARNING !\Ref: PRIVATE COMMUNICATION WITH BOZZELLI(ZHONG'S THESIS) !\Comment: WARNING 
IC3H5CHO+O<=>IC3H5CO+OH                           +7.18000000E+012 +0.00000000E+000 +1.38900000E+003 !\Author: WARNING !\Ref: ANALOGOUS TO ISOBUTERALDEHYDE+X !\Comment: WARNING 
IC3H5CHO+OH<=>IC3H5CO+H2O                         +3.73000000E+004 +2.60000000E+000 -2.30000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC3H5CHO+HO2<=>IC3H5CO+H2O2                       +1.17730000E-004 +4.91966000E+000 +3.68427440E+003 !\Author: WARNING !\Ref: J. MENDES, C-W ZHOU, AND H. J. CURRAN. JPCA, 2014, 118, 12089-12104. !\Comment: WARNING 
IC3H5CHO+CH3<=>IC3H5CO+CH4                        +1.24879000E+000 +3.63386000E+000 +4.32893480E+003 !\Author: WARNING !\Ref: J. MENDES, C-W ZHOU, AND H. J. CURRAN. JPCA, 2014, 118, 12089-12104. !\Comment: WARNING 
IC3H5CHO+H<=>IC3H4CHO-A+H2                        +3.64000000E+005 +2.45500000E+000 +4.36120000E+003 !\Author: WARNING !\Ref: ANALOGY TO ALLYL RADICAL IN C3H6 !\Comment: WARNING 
IC3H5CHO+O2<=>IC3H4CHO-A+HO2                      +5.96000000E+019 -1.67000000E+000 +4.61921000E+004 !\Author: WARNING !\Ref: ANALOGY TO ALLYL RADICAL IN C3H6 !\Comment: WARNING 
IC3H5CHO+OH<=>IC3H4CHO-A+H2O                      +4.46000000E+006 +2.07200000E+000 +1.05080000E+003 !\Author: WARNING !\Ref: ANALOGY TO ALLYL RADICAL IN C3H6 !\Comment: WARNING 
IC3H5CHO+O<=>IC3H4CHO-A+OH                        +5.24000000E+011 +7.00000000E-001 +5.88400000E+003 !\Author: WARNING !\Ref: ANALOGY TO ALLYL RADICAL IN C3H6 !\Comment: WARNING 
IC3H5CHO+HO2<=>IC3H4CHO-A+H2O2                    +1.46000000E-001 +4.12000000E+000 +1.28020000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC3H5CHO+CH3<=>IC3H4CHO-A+CH4                     +2.21000000E+000 +3.50000000E+000 +5.67500000E+003 !\Author: WARNING !\Ref: ANALOGY TO ALLYL RADICAL IN C3H6 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
IC3H5CO<=>C3H5-T+CO                               +1.27800000E+020 -1.89000000E+000 +3.44600000E+004 !\Author: WARNING !\Ref: ANALOGOUS TO ISOBUTERALDEHYDE+X !\Comment: WARNING 
C3H4-A+HCO<=>IC3H4CHO-A                           +4.02097300E+004 +2.51815000E+000 +8.84753570E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: IC3H5CHO
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: SC4H7OH-I
!===========================================================================================================
!\REACTIONCLASS: H_ADDITION_PRODUCTS
!___________________________________________________________________________________________________________ 
SC4H7OH-I+H=SC3H5OH+CH3                                6.26E+13    0.000    4500 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>PRODUCTS
!___________________________________________________________________________________________________________ 
SC4H7OH-I+HO2<=>IC3H7CHO+HO2                      +1.49000000E+005 +1.67000000E+000 +6.81000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
SC4H7OH-I+HOCHO<=>IC3H7CHO+HOCHO                  +2.81000000E-002 +3.28600000E+000 -4.50900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
SC4H7OH-I+H<=>SC4H7OH-IP+H2                       +2.24000000E+007 +2.04000000E+000 +2.84000000E+003 !\Author: NL !\Ref: ANALOGY TO IC4H8 IN ALLYL RADICAL FORMATION !\Comment: WARNING 
SC4H7OH-I+O<=>SC4H7OH-IP+OH                       +1.93600000E-002 +4.54000000E+000 -2.46840000E+003 !\Author: NL !\Ref: ANALOGY TO IC4H8 IN ALLYL RADICAL FORMATION !\Comment: WARNING 
SC4H7OH-I+OH<=>SC4H7OH-IP+H2O                     +4.20000000E+007 +1.77000000E+000 +2.71400000E+002 !\Author: NL !\Ref: ANALOGY TO IC4H8 IN ALLYL RADICAL FORMATION !\Comment: WARNING 
SC4H7OH-I+HO2<=>SC4H7OH-IP+H2O2                   +2.92000000E-001 +4.12000000E+000 +1.28020000E+004 !\Author: NL !\Ref: ANALOGY TO IC4H8 IN ALLYL RADICAL FORMATION !\Comment: WARNING 
SC4H7OH-I+CH3<=>SC4H7OH-IP+CH4                    +1.10400000E+002 +3.27000000E+000 +7.15000000E+003 !\Author: NL !\Ref: ANALOGY TO IC4H8 IN ALLYL RADICAL FORMATION !\Comment: WARNING 
SC4H7OH-I+CH3O<=>SC4H7OH-IP+CH3OH                 +1.68000000E+011 +0.00000000E+000 +2.60000000E+003 !\Author: NL !\Ref: ANALOGY TO IC4H8 IN ALLYL RADICAL FORMATION !\Comment: WARNING 
SC4H7OH-I+CH3O2<=>SC4H7OH-IP+CH3O2H               +1.54000000E-001 +4.40300000E+000 +1.35472000E+004 !\Author: NL !\Ref: ANALOGY TO IC4H8 IN ALLYL RADICAL FORMATION !\Comment: WARNING 
SC4H7OH-IP+HO2=SC4H7O-I+OH                        +4.81000000E+017 -1.22800000E+000 +7.79800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +7.98000000E+009 +7.83000000E-001 -2.33000000E+003 /
PLOG /                           +1.00000000E+000 +1.01000000E+013 -8.70000000E-002 -1.10000000E+001 /
PLOG /                           +1.00000000E+001 +1.61000000E+018 -1.50300000E+000 +4.82400000E+003 /
PLOG /                           +1.00000000E+002 +4.81000000E+017 -1.22800000E+000 +7.79800000E+003 /
SC4H7OH-IP+HO2=SC4H7OOH-I                         +3.90000000E+034 -6.79500000E+000 +7.65400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +6.09000000E+017 -3.06200000E+000 -6.39400000E+003 /
PLOG /                           +1.00000000E+000 +3.30000000E+035 -7.87200000E+000 +3.12300000E+003 /
PLOG /                           +1.00000000E+001 +3.63000000E+040 -8.90600000E+000 +8.11800000E+003 /
PLOG /                           +1.00000000E+002 +3.90000000E+034 -6.79500000E+000 +7.65400000E+003 /
SC4H7OOH-I=SC4H7O-I+OH                            +6.01000000E+036 -6.49900000E+000 +4.99340000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +5.01000000E+053 -1.22850000E+001 +5.26610000E+004 /
PLOG /                           +1.00000000E+000 +3.02000000E+052 -1.15920000E+001 +5.42560000E+004 /
PLOG /                           +1.00000000E+001 +4.92000000E+046 -9.60800000E+000 +5.34250000E+004 /
PLOG /                           +1.00000000E+002 +6.01000000E+036 -6.49900000E+000 +4.99340000E+004 /
SC4H7O-I=PC3H4OH-2+CH2O                           +3.92000000E+028 -4.66100000E+000 +2.76430000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +6.06000000E+016 -2.10600000E+000 +2.04360000E+004 /
PLOG /                           +1.00000000E+000 +3.16000000E+017 -2.02600000E+000 +2.05880000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+022 -3.17600000E+000 +2.29930000E+004 /
PLOG /                           +1.00000000E+002 +3.92000000E+028 -4.66100000E+000 +2.76430000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>PRODUCTS
!___________________________________________________________________________________________________________ 
IC4H6OH+H=>CH3+C3H4-A+OH                          +4.02097300E+004 +2.51815000E+000 +8.84753570E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: SC4H7OH-I
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: CC4H8O
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTIONLUMPED
!___________________________________________________________________________________________________________ 
CC4H8O+OH=>C3H6+HCO+H2O                           +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: SP ! !GOK CORRECTED THE PRODUCTS !\Ref: WARNING !\Comment: WARNING 
CC4H8O+H=>C3H6+HCO+H2                             +1.76000000E+007 +2.00000000E+000 +5.00000000E+003 !\Author: SP ! !GOK CORRECTED THE PRODUCTS !\Ref: WARNING !\Comment: WARNING 
CC4H8O+O=>C3H6+HCO+OH                             +5.62000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: SP ! !GOK CORRECTED THE PRODUCTS !\Ref: WARNING !\Comment: WARNING 
CC4H8O+HO2=>C3H6+HCO+H2O2                         +5.00000000E+012 +0.00000000E+000 +1.50000000E+004 !\Author: SP ! !GOK CORRECTED THE PRODUCTS !\Ref: WARNING !\Comment: WARNING 
CC4H8O+CH3O2=>C3H6+HCO+CH3O2H                     +5.00000000E+012 +0.00000000E+000 +1.90000000E+004 !\Author: SP ! !GOK CORRECTED THE PRODUCTS !\Ref: WARNING !\Comment: WARNING 
CC4H8O+CH3=>C3H6+HCO+CH4                          +1.00000000E+011 +0.00000000E+000 +1.00000000E+004 !\Author: SP ! !GOK CORRECTED THE PRODUCTS !\Ref: WARNING !\Comment: WARNING 
CC4H8O+OH=>IC4H7O+H2O                             +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: SP ! !GOK CORRECTED THE PRODUCTS !\Ref: WARNING !\Comment: WARNING 
CC4H8O+H=>IC4H7O+H2                               +1.76000000E+007 +2.00000000E+000 +5.00000000E+003 !\Author: SP ! !GOK CORRECTED THE PRODUCTS !\Ref: WARNING !\Comment: WARNING 
CC4H8O+O=>IC4H7O+OH                               +5.62000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: SP ! !GOK CORRECTED THE PRODUCTS !\Ref: WARNING !\Comment: WARNING 
CC4H8O+HO2=>IC4H7O+H2O2                           +5.00000000E+012 +0.00000000E+000 +1.50000000E+004 !\Author: SP ! !GOK CORRECTED THE PRODUCTS !\Ref: WARNING !\Comment: WARNING 
CC4H8O+CH3O2=>IC4H7O+CH3O2H                       +5.00000000E+012 +0.00000000E+000 +1.90000000E+004 !\Author: SP ! !GOK CORRECTED THE PRODUCTS !\Ref: WARNING !\Comment: WARNING 
CC4H8O+CH3=>IC4H7O+CH4                            +1.00000000E+011 +0.00000000E+000 +1.00000000E+004 !\Author: SP ! !GOK CORRECTED THE PRODUCTS !\Ref: WARNING !\Comment: WARNING 
IC4H8O+OH=>C3H5-T+CH2O+H2O                        +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: NL !\Ref: WARNING !\Comment: WARNING 
IC4H8O+H=>C3H5-T+CH2O+H2                          +1.76000000E+007 +2.00000000E+000 +5.00000000E+003 !\Author: NL !\Ref: WARNING !\Comment: WARNING 
IC4H8O+O=>C3H5-T+CH2O+OH                          +5.62000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: NL !\Ref: WARNING !\Comment: WARNING 
IC4H8O+HO2=>C3H5-T+CH2O+H2O2                      +5.00000000E+012 +0.00000000E+000 +1.50000000E+004 !\Author: NL !\Ref: WARNING !\Comment: WARNING 
IC4H8O+CH3O2=>C3H5-T+CH2O+CH3O2H                  +5.00000000E+012 +0.00000000E+000 +1.90000000E+004 !\Author: NL !\Ref: WARNING !\Comment: WARNING 
IC4H8O+CH3=>C3H5-T+CH2O+CH4                       +1.00000000E+011 +0.00000000E+000 +1.00000000E+004 !\Author: NL !\Ref: WARNING !\Comment: WARNING 
IC4H8O+OH=>IC4H7O+H2O                             +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: NL !\Ref: WARNING !\Comment: WARNING 
IC4H8O+H=>IC4H7O+H2                               +1.76000000E+007 +2.00000000E+000 +5.00000000E+003 !\Author: NL !\Ref: WARNING !\Comment: WARNING 
IC4H8O+O=>IC4H7O+OH                               +5.62000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: NL !\Ref: WARNING !\Comment: WARNING 
IC4H8O+HO2=>IC4H7O+H2O2                           +5.00000000E+012 +0.00000000E+000 +1.50000000E+004 !\Author: NL !\Ref: WARNING !\Comment: WARNING 
IC4H8O+CH3O2=>IC4H7O+CH3O2H                       +5.00000000E+012 +0.00000000E+000 +1.90000000E+004 !\Author: NL !\Ref: WARNING !\Comment: WARNING 
IC4H8O+CH3=>IC4H7O+CH4                            +1.00000000E+011 +0.00000000E+000 +1.00000000E+004 !\Author: NL !\Ref: WARNING !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: CC4H8O
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: IC4H9O2H
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: KHP_HOMOLYTIC_FISSION
!___________________________________________________________________________________________________________ 
IC4H9O2H<=>IC4H9O+OH                              +3.03100000E+020 -1.41400000E+000 +4.60721000E+004 !\Author: NL !\Ref: WARNING NO \RefERENCE !\Comment: WARNING 
TC4H9O2H<=>TC4H9O+OH                              +8.61800000E+020 -1.64100000E+000 +4.51556000E+004 !\Author: NL !\Ref: WARNING NO \RefERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
IC4H9O2+HO2<=>IC4H9O2H+O2                         +1.75000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: ESTIMATE? !\Comment: WARNING 
IC4H9O2+H2O2<=>IC4H9O2H+HO2                       +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
IC4H9O2+H2<=>IC4H9O2H+H                           +3.01000000E+013 +0.00000000E+000 +2.60300000E+004 !\Author: WARNING !\Ref: TSANG & HAMPSON, METHANE, J. PHYS. CHEM. \Ref. DATA, VOL 15, 1986 !\Comment: WARNING 
IC4H9O2+CH4<=>IC4H9O2H+CH3                        +1.13000000E+013 +0.00000000E+000 +2.04600000E+004 !\Author: WARNING !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
IC4H9O2+CH3OH<=>IC4H9O2H+CH2OH                    +6.30000000E+012 +0.00000000E+000 +1.93600000E+004 !\Author: WARNING !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
IC4H9O2+CH2O<=>IC4H9O2H+HCO                       +1.30000000E+011 +0.00000000E+000 +9.00000000E+003 !\Author: WARNING !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
IC4H9O2+C2H6<=>IC4H9O2H+C2H5                      +1.70000000E+013 +0.00000000E+000 +2.04600000E+004 !\Author: WARNING !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
IC4H9O2+C2H4<=>IC4H9O2H+C2H3                      +8.59000000E+000 +3.75400000E+000 +2.71320000E+004 !\Author: WARNING !\Ref: PITZ ESTIMATE !\Comment: WARNING 
IC4H9O2+C2H5OH<=>IC4H9O2H+PC2H4OH                 +6.30000000E+012 +0.00000000E+000 +1.93600000E+004 !\Author: WARNING !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
IC4H9O2+C2H5OH<=>IC4H9O2H+SC2H4OH                 +4.20000000E+012 +0.00000000E+000 +1.50000000E+004 !\Author: WARNING !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
IC4H9O2+CH3CHO<=>IC4H9O2H+CH3CO                   +2.80000000E+012 +0.00000000E+000 +1.36000000E+004 !\Author: WARNING !\Ref: HALF OF CH2O+HO2 !\Comment: WARNING 
IC4H9O2+C3H8<=>IC4H9O2H+IC3H7                     +2.00000000E+012 +0.00000000E+000 +1.70000000E+004 !\Author: WARNING !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
IC4H9O2+C3H8<=>IC4H9O2H+NC3H7                     +1.70000000E+013 +0.00000000E+000 +2.04600000E+004 !\Author: WARNING !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
IC4H9O2+C2H3CHO<=>IC4H9O2H+C2H3CO                 +2.80000000E+012 +0.00000000E+000 +1.36000000E+004 !\Author: WARNING !\Ref: HALF OF CH2O+HO2 !\Comment: WARNING 
IC4H9O2+C2H5CHO<=>IC4H9O2H+C2H5CO                 +2.80000000E+012 +0.00000000E+000 +1.36000000E+004 !\Author: WARNING !\Ref: HALF OF CH2O+HO2 !\Comment: WARNING 
IC4H9O2+C3H6<=>IC4H9O2H+C3H5-A                    +5.35000000E-002 +4.20700000E+000 +1.32881000E+004 !\Author: WARNING !\Ref: ANALOGY TO C3H6+HO2 !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: IC4H9O2H
!===========================================================================================================
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: IC4H10
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: IC4H8
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CH2(S)+C3H6<=>IC4H8                               +6.07000000E+047 -9.85000000E+000 +2.21000000E+004 !\Author: NL WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.82000000E+057 -1.43000000E+001 +1.71000000E+004 /
PLOG /                           +1.00000000E-002 +1.15000000E+045 -1.11000000E+001 +6.14520000E+003 /
PLOG /                           +1.00000000E-001 +3.84000000E+059 -1.44000000E+001 +1.84000000E+004 /
PLOG /                           +1.00000000E-001 +1.83000000E+045 -1.07000000E+001 +6.63850000E+003 /
PLOG /                           +1.00000000E+000 +2.13000000E+058 -1.35000000E+001 +2.04000000E+004 /
PLOG /                           +1.00000000E+000 +1.30000000E+040 -8.77000000E+000 +5.86380000E+003 /
PLOG /                           +1.00000000E+001 +8.48000000E+052 -1.16000000E+001 +2.07000000E+004 /
PLOG /                           +1.00000000E+001 +2.27000000E+032 -6.14000000E+000 +4.31790000E+003 /
PLOG /                           +1.00000000E+002 +6.07000000E+047 -9.85000000E+000 +2.21000000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+024 -3.49000000E+000 +2.52990000E+003 /
CH2(S)+C3H6<=>IC4H7+H                             +6.51000000E+026 -3.58000000E+000 +1.89000000E+004 !\Author: NL WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.20000000E+019 -2.06000000E+000 +1.15000000E+003 /
PLOG /                           +1.00000000E-002 +1.08000000E+007 +1.62000000E+000 -3.17460000E+003 /
PLOG /                           +1.00000000E-001 +2.27000000E+021 -2.44000000E+000 +2.65000000E+003 /
PLOG /                           +1.00000000E-001 +1.37000000E+005 +2.15000000E+000 -3.79920000E+003 /
PLOG /                           +1.00000000E+000 +4.44000000E+035 -6.55000000E+000 +1.39000000E+004 /
PLOG /                           +1.00000000E+000 +3.89000000E+014 -4.20000000E-001 +1.23760000E+003 /
PLOG /                           +1.00000000E+001 +1.18000000E+028 -4.09000000E+000 +1.40000000E+004 /
PLOG /                           +1.00000000E+001 +2.45000000E+010 +6.70000000E-001 +7.50930000E+002 /
PLOG /                           +1.00000000E+002 +6.51000000E+026 -3.58000000E+000 +1.89000000E+004 /
PLOG /                           +1.00000000E+002 +1.81000000E+002 +2.97000000E+000 -7.46030000E+002 /
CH2(S)+C3H6<=>C3H5-T+CH3                          +7.36000000E+029 -4.28000000E+000 +2.38000000E+004 !\Author: NL WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.77000000E+019 -1.94000000E+000 +6.79000000E+003 /
PLOG /                           +1.00000000E-002 +4.30000000E+012 +1.90000000E-001 -1.10410000E+002 /
PLOG /                           +1.00000000E-001 +1.68000000E+019 -1.80000000E+000 +4.31000000E+003 /
PLOG /                           +1.00000000E-001 +2.26000000E+011 +5.40000000E-001 +4.78100000E+001 /
PLOG /                           +1.00000000E+000 +4.16000000E+024 -3.19000000E+000 +9.76000000E+003 /
PLOG /                           +1.00000000E+000 +4.92000000E+009 +1.02000000E+000 +5.99770000E+002 /
PLOG /                           +1.00000000E+001 +7.89000000E+024 -3.07000000E+000 +1.39000000E+004 /
PLOG /                           +1.00000000E+001 +1.47000000E+008 +1.33000000E+000 +1.22840000E+003 /
PLOG /                           +1.00000000E+002 +7.36000000E+029 -4.28000000E+000 +2.38000000E+004 /
PLOG /                           +1.00000000E+002 +8.11000000E+010 +5.50000000E-001 +5.50650000E+003 /
C3H5-T+CH3<=>IC4H7+H                              +5.16000000E+028 -4.03000000E+000 +2.38000000E+004 !\Author: NL WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.12000000E+029 -4.95000000E+000 +8.00000000E+003 /
PLOG /                           +1.00000000E-002 +5.73000000E+015 -7.70000000E-001 +1.19590000E+003 /
PLOG /                           +1.00000000E-001 +4.86000000E+030 -5.03000000E+000 +1.13000000E+004 /
PLOG /                           +1.00000000E-001 +2.06000000E+013 -7.40000000E-002 +1.42870000E+003 /
PLOG /                           +1.00000000E+000 +5.30000000E+029 -4.57000000E+000 +1.44000000E+004 /
PLOG /                           +1.00000000E+000 +4.48000000E+010 +6.00000000E-001 +1.42160000E+003 /
PLOG /                           +1.00000000E+001 +1.32000000E+030 -4.54000000E+000 +1.93000000E+004 /
PLOG /                           +1.00000000E+001 +4.10000000E+006 +1.71000000E+000 +1.05690000E+003 /
PLOG /                           +1.00000000E+002 +5.16000000E+028 -4.03000000E+000 +2.38000000E+004 /
PLOG /                           +1.00000000E+002 +1.37000000E-001 +3.91000000E+000 -3.53550000E+002 /
IC4H8<=>C3H5-T+CH3                                +2.15000000E+064 -1.34000000E+001 +1.35000000E+005 !\Author: NL WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG	/	1.00E-02	3.76E+78	-1.87E+01	1.30E+05	/
PLOG	/	1.00E-02	3.38E+59	-1.36E+01	1.13E+05	/
PLOG	/	1.00E-01	1.75E+77	-1.79E+01	1.32E+05	/
PLOG	/	1.00E-01	4.00E+60	-1.37E+01	1.15E+05	/
PLOG	/	1.00E+00	1.16E+76	-1.72E+01	1.34E+05	/
PLOG	/	1.00E+00	1.34E+55	-1.18E+01	1.14E+05	/
PLOG	/	1.00E+01	1.62E+72	-1.58E+01	1.36E+05	/
PLOG	/	1.00E+01	2.12E+47	-9.27E+00	1.12E+05	/
PLOG	/	1.00E+02	4.30E+64	-1.34E+01	1.35E+05	/
PLOG	/	1.00E+02	1.46E+39	-6.70E+00	1.09E+05	/
IC4H8<=>IC4H7+H                                   +8.05000000E+056 -1.15000000E+001 +1.22000000E+005 !\Author: NL WARNING !\Ref: YE, GEORGIEVSKII, KLIPPENSTEIN, PROC. COMBUST. 35(2015) 223-230 !\Comment: WARNING 
PLOG	/	1.00E-02	1.83E+75	-1.76E+01	1.20E+05	/
PLOG	/	1.00E-02	5.96E+54	-1.23E+01	1.01E+05	/
PLOG	/	1.00E-01	3.46E+70	-1.60E+01	1.20E+05	/
PLOG	/	1.00E-01	2.74E+43	-8.87E+00	9.64E+04	/
PLOG	/	1.00E+00	2.16E+71	-1.59E+01	1.25E+05	/
PLOG	/	1.00E+00	1.26E+43	-8.51E+00	9.80E+04	/
PLOG	/	1.00E+01	1.28E+66	-1.42E+01	1.25E+05	/
PLOG	/	1.00E+01	9.46E+35	-6.26E+00	9.56E+04	/
PLOG	/	1.00E+02	1.61E+57	-1.15E+01	1.22E+05	/
PLOG	/	1.00E+02	8.68E+28	-4.06E+00	9.31E+04	/
IC4H7-I1+H<=>IC4H8                                +1.42000000E+014 -6.00000000E-002 +2.40000000E+001 !\Author: NL !\Ref: YE, GEORGIEVSKII, KLIPPENSTEIN, PROCEED. COMBUST. INST. 35(2015) 223-230 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.82000000E+056 -1.42800000E+001 +1.64070000E+004 /
PLOG /                           +1.00000000E-002 +1.95000000E+045 -1.14000000E+001 +6.30900000E+003 /
PLOG /                           +1.00000000E-001 +1.24000000E+062 -1.52200000E+001 +1.91120000E+004 /
PLOG /                           +1.00000000E-001 +2.65000000E+048 -1.17500000E+001 +7.58400000E+003 /
PLOG /                           +1.00000000E+000 +3.77000000E+060 -1.42400000E+001 +2.06030000E+004 /
PLOG /                           +1.00000000E+000 +4.28000000E+042 -9.54000000E+000 +6.78900000E+003 /
PLOG /                           +1.00000000E+001 +9.10000000E+056 -1.27400000E+001 +2.22840000E+004 /
PLOG /                           +1.00000000E+001 +4.44000000E+034 -6.79000000E+000 +5.17000000E+003 /
PLOG /                           +1.00000000E+002 +6.39000000E+049 -1.03500000E+001 +2.19020000E+004 /
PLOG /                           +1.00000000E+002 +5.11000000E+026 -4.13000000E+000 +3.31300000E+003 /
PLOG /                           +1.00000000E+003 +1.42000000E+014 -6.00000000E-002 +2.40000000E+001 /
PLOG /                           +1.00000000E+003 +4.42000000E+011 +6.50000000E-001 -3.06000000E+002 /
IC4H7-I1+H<=>IC4H7+H                              +3.74000000E+028 -3.92000000E+000 +1.85610000E+004 !\Author: NL !\Ref: YE, GEORGIEVSKII, KLIPPENSTEIN, PROCEED. COMBUST. INST. 35(2015) 223-230 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.47000000E+016 -8.40000000E-001 +7.11000000E+002 /
PLOG /                           +1.00000000E-002 +4.53000000E+002 +2.94000000E+000 -4.34200000E+003 /
PLOG /                           +1.00000000E-001 +1.47000000E+021 -2.26000000E+000 +3.18000000E+003 /
PLOG /                           +1.00000000E-001 +3.31000000E+011 +5.90000000E-001 -7.49000000E+002 /
PLOG /                           +1.00000000E+000 +1.75000000E+030 -4.82000000E+000 +1.02840000E+004 /
PLOG /                           +1.00000000E+000 +1.59000000E+013 +1.60000000E-001 +9.63000000E+002 /
PLOG /                           +1.00000000E+001 +7.23000000E+028 -4.17000000E+000 +1.36140000E+004 /
PLOG /                           +1.00000000E+001 +1.24000000E+010 +9.80000000E-001 +8.42000000E+002 /
PLOG /                           +1.00000000E+002 +3.74000000E+028 -3.92000000E+000 +1.85610000E+004 /
PLOG /                           +1.00000000E+002 +1.36000000E+006 +2.06000000E+000 +4.47000000E+002 /
IC4H7-I1+H<=>C3H5-T+CH3                           +9.72000000E+030 -4.44000000E+000 +2.28340000E+004 !\Author: NL !\Ref: YE, GEORGIEVSKII, KLIPPENSTEIN, PROCEED. COMBUST. INST. 35(2015) 223-230 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.43000000E+016 -5.90000000E-001 +4.57300000E+003 /
PLOG /                           +1.00000000E-002 +4.31000000E+013 -1.00000000E-002 +4.35000000E+002 /
PLOG /                           +1.00000000E-001 +1.76000000E+015 -3.14000000E-001 +3.08700000E+003 /
PLOG /                           +1.00000000E-001 +9.21000000E+013 -2.20000000E-001 +7.82000000E+002 /
PLOG /                           +1.00000000E+000 +2.09000000E+022 -2.34000000E+000 +8.15700000E+003 /
PLOG /                           +1.00000000E+000 +9.24000000E+009 +1.12000000E+000 +8.44000000E+002 /
PLOG /                           +1.00000000E+001 +1.76000000E+025 -3.01000000E+000 +1.31770000E+004 /
PLOG /                           +1.00000000E+001 +4.40000000E+008 +1.41000000E+000 +1.35100000E+003 /
PLOG /                           +1.00000000E+002 +9.72000000E+030 -4.44000000E+000 +2.28340000E+004 /
PLOG /                           +1.00000000E+002 +6.46000000E+012 +2.20000000E-001 +5.46900000E+003 /
IC4H7-I1<=>C3H4-P+CH3                              +3.19103803E+033 -5.83215547E+000 +2.12650934E+004 !EA-2KCAL, C5H91-1<=>C2H2+NC3H7\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!PLOG /                           +1.00000000E+001 +9.32150307E+031 -5.88589343E+000 +3.78270509E+004 /
!PLOG /                           +1.00000000E+002 +3.19103803E+033 -5.83215547E+000 +4.12650934E+004 /

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
!IC4H8+H<=>IC4H7+H2                                +7.30000000E+005 +2.45500000E+000 +4.36120000E+003 !\Author: NL_PROPENE ANALOGY IN THE SAME BASE !\Ref: WARNING !\Comment: WARNING 
IC4H8+H<=>IC4H7+H2                                 4.45E+03           3.08E+00         3.54E+03!\Author: JP /KPS !\Ref: !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
IC4H8+O2<=>IC4H7+HO2                              +1.32300000E+018 -1.15600000E+000 +4.51316730E+004 !\Author: NL !\Ref: ZHOU, SIMMIE, SOMERS, GOLDSMITH, CURRAN, J. PHYS. CHEM. A 2017, 121, 1890-1899 !\Comment: WARNING 
IC4H8+O<=>IC4H7+OH                                +1.93600000E-002 +4.54000000E+000 -2.46840000E+003 !\Author: NL PROPENE ANALOGY !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
IC4H8+OH<=>IC4H7+H2O                              +4.20000000E+007 +1.77000000E+000 +2.71400000E+002 !\Author: NL !\Ref: KHALED ET AL. 2017 PROCI !\Comment: WARNING 
IC4H8+HO2<=>IC4H7+H2O2                            +2.92000000E-001 +4.12000000E+000 +1.28020000E+004 !\Author: NL !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
IC4H8+CH3<=>IC4H7+CH4                             +1.10400000E+002 +3.27000000E+000 +7.15000000E+003 !\Author: NL_KUN WANG'S MECHANISM(2019) !\Ref: WARNING !\Comment: WARNING 
IC4H8+CH3O<=>IC4H7+CH3OH                          +1.68000000E+011 +0.00000000E+000 +2.60000000E+003 !\Author: NL_PROPENE ANALOGY IN THE SAME BASE !\Ref: WARNING !\Comment: WARNING 
IC4H8+CH3O2<=>IC4H7+CH3O2H                        +1.54000000E-001 +4.40300000E+000 +1.35472000E+004 !\Author: NL_PROPENE ANALOGY IN THE SAME BASE !\Ref: WARNING !\Comment: WARNING 
IC4H8+C2H5<=>IC4H7+C2H6                           +2.00000000E+011 +0.00000000E+000 +9.80000000E+003 !\Author: NL_PROPENE ANALOGY IN THE SAME BASE !\Ref: WARNING !\Comment: WARNING 
IC4H8+C2H5O2<=>IC4H7+C2H5O2H                      +1.15200000E-001 +4.40300000E+000 +1.35472000E+004 !\Author: NL_PROPENE ANALOGY IN THE SAME BASE !\Ref: WARNING !\Comment: WARNING 
IC4H8+CH3CO3<=>IC4H7+CH3CO3H                      +1.54000000E-001 +4.40300000E+000 +1.35472000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
IC4H8+O2CHO<=>IC4H7+HO2CHO                        +1.92800000E+004 +2.60000000E+000 +1.39100000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
IC4H8+IC4H9O2<=>IC4H7+IC4H9O2H                    +1.40000000E+012 +0.00000000E+000 +1.49000000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
IC4H8+TC4H9O2<=>IC4H7+TC4H9O2H                    +1.40000000E+012 +0.00000000E+000 +1.49000000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
IC4H8+PC4H9O2<=>IC4H7+PC4H9O2H                    +1.40000000E+012 +0.00000000E+000 +1.49000000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
IC4H8+SC4H9O2<=>IC4H7+SC4H9O2H                    +1.40000000E+012 +0.00000000E+000 +1.49000000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
IC4H8+IC3H7O2<=>IC4H7+IC3H7O2H                    +1.40000000E+012 +0.00000000E+000 +1.49000000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
IC4H8+NC3H7O2<=>IC4H7+NC3H7O2H                    +1.40000000E+012 +0.00000000E+000 +1.49000000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
IC4H8+IC4H7O2<=>IC4H7+IC4H7OOH                    +1.46000000E-001 +4.12000000E+000 +1.28020000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H8+IC4H7O<=>IC4H7+IC4H7OH                      +2.70000000E+011 +0.00000000E+000 +4.00000000E+003 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
IC4H8+CH2CCH2OH<=>IC4H7+C3H5OH                    +7.94000000E+011 +0.00000000E+000 +2.05000000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
IC4H8+C2H3<=>IC4H7+C2H4                           +1.08000000E+002 +3.34000000E+000 +3.00000000E+003 !\Author: NL_ANALOGY !\Ref: RAMAN, CARSTENSEN, INT J CHEM KINET 44.5(2012) !\Comment: WARNING 
IC4H8+C3H5-A<=>IC4H7+C3H6                         +7.94000000E+011 +0.00000000E+000 +2.05000000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
IC4H8+C3H5-S<=>IC4H7+C3H6                         +7.94000000E+011 +0.00000000E+000 +2.05000000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
IC4H8+C3H5-T<=>IC4H7+C3H6                         +7.94000000E+011 +0.00000000E+000 +2.05000000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
!IC4H8+H<=>IC4H7-I1+H2                             +5.10100000E+002 +3.23400000E+000 +1.23570000E+004 !\Author: WARNING !\Ref: J.A.MILLER, S.J.KLIPPENSTEIN, J.PHYS.CHEM.A, 117(2013) 2718-2727 !\Comment: WARNING 
!DUP
!IC4H8+H<=>IC4H7-I1+H2                             +3.96900000E+002 +3.25200000E+000 +1.20070000E+004 !\Author: WARNING !\Ref: J.A.MILLER, S.J.KLIPPENSTEIN, J.PHYS.CHEM.A, 117(2013) 2718-2727 !\Comment: WARNING 
!DUP
IC4H8+H<=>IC4H7-I1+H2                              2.60E+06           2.34E+00         1.30E+04 !\Author: JP /KPS !\Ref: !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
IC4H8+O2<=>IC4H7-I1+HO2                           +2.00000000E+013 +0.00000000E+000 +6.22700000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
IC4H8+O<=>IC4H7-I1+OH                             +1.20000000E+011 +7.00000000E-001 +8.95910000E+003 !\Author: NL_PROPENE ANALOGY IN THE SAME BASE !\Ref: WARNING !\Comment: WARNING 
IC4H8+OH<=>IC4H7-I1+H2O                           +1.25000000E+006 +2.16000000E+000 +1.41400000E+003 !\Author: NL !\Ref: KHALED ET AL. 2017 PROCI !\Comment: WARNING 
IC4H8+HO2<=>IC4H7-I1+H2O2                         +9.57000000E+002 +3.05900000E+000 +2.07986000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H8+CH3<=>IC4H7-I1+CH4                          +7.19000000E+002 +2.93800000E+000 +1.39130000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H7-I1+CH2O<=>IC4H8+HCO                         +1.65000000E+001 +3.17000000E+000 +9.39980000E+003 !\Author: NL_PROPENE ANALOGY IN THE SAME BASE !\Ref: WARNING !\Comment: WARNING 
IC4H8+C2H3<=>IC4H7-I1+C2H4                        +9.40000000E+001 +3.13000000E+000 +8.30000000E+003 !\Author: NL !\Ref: RAMAN, CARSTENSEN, INT J CHEM KINET 44.5(2012) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONO
!___________________________________________________________________________________________________________ 
IC4H8+O=TC3H6CHO+H                                +1.17000000E-003 +4.94000000E+000 -2.42280000E+003 !\Author: NL_PROPENE ANALOGY !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
IC4H8+O=CH3COCH2+CH3                              +1.17000000E-003 +4.94000000E+000 -2.42280000E+003 !\Author: NL_PROPENE ANALOGY !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
DUP
IC4H8+O=CH3COCH2+CH3                              +9.24000000E+008 +1.20000000E+000 -2.38300000E+002 !\Author: NL_PROPENE ANALOGY !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
DUP
IC4H8+O=IC3H7+HCO                                 +6.23000000E+009 +7.90000000E-001 -1.47000000E+002 !\Author: NL_PROPENE ANALOGY !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
IC4H8+O=C3H6+CH2O                                 +1.46000000E+005 +2.36500000E+000 -8.32100000E+002 !\Author: NL_PROPENE ANALOGY !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONH
!___________________________________________________________________________________________________________ 
IC4H8+H<=>IC4H9                                    2.39E+13       -0.11    5184.0
  PLOG/1.000E-02    3.35E+45      -11.24    11560.0/                            ! fit btw. 298 and 900 K with MAE of 7.3%, 16.5%
  PLOG/1.000E-01    2.43E+41       -9.57    11450.0/                            ! fit btw. 298 and 1000 K with MAE of 11.4%, 27.3%
  PLOG/1.000E+00    6.18E+33       -6.89    10140.0/                            ! fit btw. 298 and 1100 K with MAE of 16.0%, 36.3%
  PLOG/1.000E+01    6.96E+24       -3.88    8102.0/                             ! fit btw. 298 and 1200 K with MAE of 17.3%, 35.7%
  PLOG/1.000E+02    4.63E+18       -1.83    6613.0/                             ! fit btw. 298 and 1400 K with MAE of 17.2%, 40.5%
  PLOG/1.000E+03    2.39E+13       -0.11    5184.0/                             ! fit btw. 298 and 1600 K with MAE of 12.9%, 33.9%
IC4H8+H<=>TC4H9                                     7.80E+14       -0.30    2671.0
  PLOG/1.000E-02    2.63E+44      -10.13    9763.0/                             ! fit btw. 298 and 1100 K with MAE of 17.6%, 41.7%
  PLOG/1.000E-01    2.49E+37       -7.71    8381.0/                             ! fit btw. 298 and 1200 K with MAE of 22.0%, 48.2%
  PLOG/1.000E+00    4.33E+29       -5.12    6556.0/                             ! fit btw. 298 and 1300 K with MAE of 23.6%, 53.0%
  PLOG/1.000E+01    1.80E+22       -2.70    4638.0/                             ! fit btw. 298 and 1400 K with MAE of 20.2%, 51.9%
  PLOG/1.000E+02    5.97E+17       -1.24    3455.0/                             ! fit btw. 298 and 1600 K with MAE of 17.7%, 50.6%
  PLOG/1.000E+03    7.80E+14       -0.30    2671.0/                             ! fit btw. 298 and 1900 K with MAE of 15.5%, 47.4%
IC4H8+H<=>C3H6+CH3                                    1.60E-05        5.77    7702.0!\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
  PLOG/1.000E-02    4.50E+13        0.06    6944.0/                             ! fit btw. 298 and 2000 K with MAE of 5.2%, 9.3%
  PLOG/1.000E-01    1.18E+16       -0.60    9117.0/                             ! fit btw. 298 and 2000 K with MAE of 4.6%, 10.4%
  PLOG/1.000E+00    6.32E+16       -0.75    10970.0/                            ! fit btw. 298 and 2000 K with MAE of 9.3%, 41.2%
  PLOG/1.000E+01    6.10E+13        0.22    11560.0/                            ! fit btw. 298 and 2000 K with MAE of 24.4%, 80.9%
  PLOG/1.000E+02    1.27E+06        2.54    10350.0/                            ! fit btw. 298 and 2000 K with MAE of 38.0%, 108.3%
  PLOG/1.000E+03    1.60E-05        5.77    7702.0/                             ! fit btw. 298 and 2000 K with MAE of 36.5%, 87.5%
IC4H9<=>C3H6+CH3                                    1.33E+17       -0.90    32970.0
  PLOG/1.000E-02    4.59E+47      -11.30    39520.0/                            ! fit btw. 298 and 900 K with MAE of 8.5%, 20.6%
  PLOG/1.000E-01    1.00E+42       -9.24    38770.0/                            ! fit btw. 298 and 1000 K with MAE of 13.1%, 31.7%
  PLOG/1.000E+00    2.60E+34       -6.63    37250.0/                            ! fit btw. 298 and 1100 K with MAE of 16.7%, 36.9%
  PLOG/1.000E+01    3.29E+26       -3.99    35370.0/                            ! fit btw. 298 and 1200 K with MAE of 16.9%, 34.6%
  PLOG/1.000E+02    2.90E+21       -2.31    34140.0/                            ! fit btw. 298 and 1400 K with MAE of 16.3%, 37.2%
  PLOG/1.000E+03    1.33E+17       -0.90    32970.0/                            ! fit btw. 298 and 1600 K with MAE of 12.6%, 31.8% 
TC4H9<=>C3H6+CH3                                   5.34E-02        4.58    43510.0
  PLOG/1.000E-02    2.04E+47      -11.35    49290.0/                            ! fit btw. 298 and 1100 K with MAE of 14.1%, 36.7%
  PLOG/1.000E-01    1.46E+43       -9.67    50440.0/                            ! fit btw. 298 and 1200 K with MAE of 21.2%, 60.2%
  PLOG/1.000E+00    2.21E+34       -6.62    50070.0/                            ! fit btw. 298 and 1300 K with MAE of 31.8%, 97.4%
  PLOG/1.000E+01    7.08E+20       -2.23    47880.0/                            ! fit btw. 298 and 1400 K with MAE of 43.9%, 124.6%
  PLOG/1.000E+02    6.13E+08        1.55    45610.0/                            ! fit btw. 298 and 1600 K with MAE of 52.9%, 130.3%
  PLOG/1.000E+03    5.34E-02        4.58    43510.0/                            ! fit btw. 298 and 1900 K with MAE of 55.3%, 160.1%
TC4H9<=>IC4H9                                   2.59E-02        4.22    31970.0
  PLOG/1.000E-02    8.52E+24       -5.13    36420.0/                            ! fit btw. 298 and 900 K with MAE of 20.7%, 55.0%
  PLOG/1.000E-01    4.53E+19       -3.13    36020.0/                            ! fit btw. 298 and 1000 K with MAE of 31.3%, 91.3%
  PLOG/1.000E+00    4.14E+12       -0.63    34890.0/                            ! fit btw. 298 and 1100 K with MAE of 40.7%, 119.3%
  PLOG/1.000E+01    5.60E+04        2.04    33210.0/                            ! fit btw. 298 and 1200 K with MAE of 43.7%, 123.9%
  PLOG/1.000E+02    4.76E+01        3.13    32710.0/                            ! fit btw. 298 and 1400 K with MAE of 47.2%, 132.6%
  PLOG/1.000E+03    2.59E-02        4.22    31970.0/                            ! fit btw. 298 and 1600 K with MAE of 44.3%, 126.4%
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ISOMERISATION
!___________________________________________________________________________________________________________ 
IC4H7<=>IC4H7-I1                                  +4.86000000E+044 -9.84000000E+000 +7.34000000E+004 !\Author: CWZ !\Ref: DAVIS AND LAW J. PHYS. CHEM. A 1999, 103, 5889-589 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +1.30000000E+055 -1.45300000E+001 +7.38000000E+004 /
PLOG /                           +1.00000000E+000 +5.00000000E+051 -1.30200000E+001 +7.33000000E+004 /
PLOG /                           +1.00000000E+001 +9.70000000E+048 -1.17300000E+001 +7.37000000E+004 /
PLOG /                           +1.00000000E+002 +4.86000000E+044 -9.84000000E+000 +7.34000000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
IC4H7<=>C3H4-A+CH3                                +2.24600000E+054 -1.11421600E+001 +8.50228251E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.68200000E+054 -1.24753100E+001 +7.15978436E+004 /
PLOG /                           +1.00000000E-001 +1.39600000E+055 -1.23184400E+001 +7.43852009E+004 /
PLOG /                           +1.00000000E+000 +2.51900000E+055 -1.20710600E+001 +7.75106364E+004 /
PLOG /                           +1.00000000E+001 +1.36800000E+055 -1.16773200E+001 +8.10161398E+004 /
PLOG /                           +1.00000000E+002 +2.24600000E+054 -1.11421600E+001 +8.50228251E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONHO2
!___________________________________________________________________________________________________________ 
IC4H8+HO2<=>TC4H9O2                               +1.04000000E-001 +3.45000000E+000 +4.33800000E+003 !\Author: WARNING !\Ref: ZADOR(J. PHYS. CHEM. A., 2011,115,10218) !\Comment: WARNING 
IC4H8+HO2<=>IC4H8O2H-T                            +3.25000000E+026 -4.89000000E+000 +1.99480000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.33000000E-002 +6.62000000E+006 -1.40000000E-001 +1.10760000E+004 /
PLOG /                           +1.00000000E+000 +7.20000000E+004 +8.80000000E-001 +7.81600000E+003 /
PLOG /                           +1.00000000E+001 +1.69000000E+016 -2.21000000E+000 +1.32890000E+004 /
PLOG /                           +1.00000000E+002 +3.25000000E+026 -4.89000000E+000 +1.99480000E+004 /
IC4H8+HO2<=>TC4H8O2H-I                            +2.05000000E+013 -8.20000000E-001 +1.29190000E+004 !\Author: WARNING !\Ref: ZADOR(J. PHYS. CHEM. A., 2011,115,10218) !\Comment: WARNING 
PLOG /                           +1.30000000E-002 +6.67000000E+014 -2.14000000E+000 +1.41880000E+004 /
PLOG /                           +9.86900000E-001 +6.25000000E+006 +6.40000000E-001 +9.07300000E+003 /
PLOG /                           +9.86900000E+000 +7.96000000E+006 +8.20000000E-001 +8.77100000E+003 /
PLOG /                           +9.86900000E+001 +2.05000000E+013 -8.20000000E-001 +1.29190000E+004 /
IC4H8+HO2<=>IC4H8O+OH                             +1.96000000E+017 -1.45000000E+000 +2.11950000E+004 !\Author: WARNING !\Ref: ZADOR(J. PHYS. CHEM. A., 2011,115,10218) !\Comment: WARNING 
PLOG /                           +1.30000000E-002 +1.18000000E+004 +2.29000000E+000 +1.13210000E+004 /
PLOG /                           +9.86900000E-001 +5.30000000E+004 +2.10000000E+000 +1.17970000E+004 /
PLOG /                           +9.86900000E+000 +1.47000000E+009 +8.30000000E-001 +1.48080000E+004 /
PLOG /                           +9.86900000E+001 +1.96000000E+017 -1.45000000E+000 +2.11950000E+004 /
TC4H8O2H-I<=>IC4H8O+OH                            +1.21000000E+027 -4.66000000E+000 +1.63240000E+004 !\Author: WARNING !\Ref: ZADOR(J. PHYS. CHEM. A., 2011,115,10218) !\Comment: WARNING 
PLOG /                           +1.30000000E-002 +5.23000000E+017 -2.97000000E+000 +8.21500000E+003 /
PLOG /                           +9.86900000E-001 +4.39000000E+022 -3.90000000E+000 +1.14240000E+004 /
PLOG /                           +9.86900000E+000 +4.00000000E+025 -4.50000000E+000 +1.39520000E+004 /
PLOG /                           +9.86900000E+001 +1.21000000E+027 -4.66000000E+000 +1.63240000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>RH+RH
!___________________________________________________________________________________________________________ 
IC4H7+H<=>C3H4-A+CH4                              +1.23200000E+003 +3.03500000E+000 +2.58200000E+003 !\Author: WARNING !\Ref: KLIPPENSTEIN & HARDING 2007 !\Comment: WARNING 
IC4H7+OH<=>C3H4-A+CH3OH                           +6.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: TSANG, W. J.PHYS.CHEM.\Ref.DATA 1991, 20, 221. !\Comment: WARNING 
IC4H7+CH3<=>C3H4-A+C2H6                           +3.00000000E+012 -3.20000000E-001 -1.31000000E+002 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
IC4H7+C2H5<=>C3H4-A+C3H8                          +4.00000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: DAGAUT, P. ET AL., CST 71, 111(1990). !\Comment: WARNING 
IC4H7+C2H3<=>C3H4-A+C3H6                          +1.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: DAGAUT, P. ET AL., CST 71, 111(1990). !\Comment: WARNING 
IC4H7-I1+CH3<=>C3H4-A+C2H6                        +1.00000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: DAGAUT, P. ET AL., CST 71, 111(1990). !\Comment: WARNING 
IC4H7-I1+CH3<=>C3H4-P+C2H6                        +1.00000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>PRODUCTS
!___________________________________________________________________________________________________________ 
IC4H7+C2H5<=>C2H4+IC4H8                           +4.00000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: DAGAUT, P. ET AL., CST 71, 111(1990). !\Comment: WARNING 
IC4H7+HCO<=>IC4H8+CO                              +6.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
IC4H7-I1+HCO<=>IC4H8+CO                           +9.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
IC4H7-I1+O<=>C3H6+HCO                             +6.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
IC4H7-I1+OH=>C3H6+HCO+H                           +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
IC4H7-I1+HO2=>C3H6+HCO+OH                         +2.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O<=>PRODUCTS
!___________________________________________________________________________________________________________ 
IC4H7+O<=>IC3H5CHO+H                              +6.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: TSANG, W. J.PHYS.CHEM.\Ref.DATA 1991, 20, 221. !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+OH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
IC4H7+OH=>IC3H5CHO+H+H                            +1.60000000E+020 -1.56000000E+000 +2.63300000E+004 !\Author: WARNING !\Ref: TSANG, W. J.PHYS.CHEM.\Ref.DATA 1991, 20, 221. !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +5.30000000E+037 -6.71000000E+000 +2.93060000E+004 /
PLOG /                           +1.00000000E+000 +4.20000000E+032 -5.16000000E+000 +3.01260000E+004 /
PLOG /                           +1.00000000E+001 +1.60000000E+020 -1.56000000E+000 +2.63300000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
IC4H7+O2=>C3H4-A+CH2O+OH                         +2.18000000E+021 -2.85000000E+000 +3.07550000E+004 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
PLOG /                           +1.00000000E+000 +4.99000000E+015 -1.40000000E+000 +2.24280000E+004 /
PLOG /                           +1.00000000E+001 +2.18000000E+021 -2.85000000E+000 +3.07550000E+004 /
IC4H7+O2<=>IC3H5CHO+OH                            +2.47000000E+013 -4.50000000E-001 +2.30170000E+004 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
PLOG /                           +1.00000000E+000 +1.82000000E+013 -4.10000000E-001 +2.28590000E+004 /
PLOG /                           +1.00000000E+001 +2.47000000E+013 -4.50000000E-001 +2.30170000E+004 /
IC4H7-I1+O2<=>IC4H7-I1OO                          +8.10000000E+029 -5.32000000E+000 +6.90900000E+003 !\Author: NL WARNING !\Ref: X. CHEN AND F. GOLDSMITH(2017) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.71000000E+026 -6.57000000E+000 +6.93700000E+003 /
PLOG /                           +1.00000000E-001 +2.51000000E+034 -8.40000000E+000 +4.82800000E+003 /
PLOG /                           +3.16000000E-001 +9.99000000E+037 -9.13000000E+000 +5.55300000E+003 /
PLOG /                           +1.00000000E+000 +1.28000000E+040 -9.39000000E+000 +6.83200000E+003 /
PLOG /                           +3.16000000E+000 +8.20000000E+039 -8.99000000E+000 +7.82900000E+003 /
PLOG /                           +1.00000000E+001 +4.15000000E+037 -8.01000000E+000 +8.14800000E+003 /
PLOG /                           +3.16000000E+001 +8.57000000E+033 -6.68000000E+000 +7.74400000E+003 /
PLOG /                           +1.00000000E+002 +8.10000000E+029 -5.32000000E+000 +6.90900000E+003 /
IC4H7-I1OO<=>TC3H6CHO+O                           +4.30000000E+048 -1.03100000E+001 +5.60900000E+004 !\Author: NL !\Ref: ANALOGY TO C2H3OO<=>CH2CHO+O !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.70000000E+180 -4.81900000E+001 +1.69300000E+005 /
PLOG /                           +1.00000000E-002 +1.47000000E+030 -6.64000000E+000 +4.11100000E+004 /
PLOG /                           +1.00000000E-001 +3.90000000E+038 -8.69000000E+000 +4.27700000E+004 /
PLOG /                           +1.00000000E-001 +9.65000000E-012 +5.96000000E+000 +2.28900000E+004 /
PLOG /                           +3.16000000E-001 +4.57000000E+047 -1.12100000E+001 +4.70500000E+004 /
PLOG /                           +3.16000000E-001 +3.95000000E+022 -3.71000000E+000 +3.62700000E+004 /
PLOG /                           +1.00000000E+000 +7.62000000E+081 -2.12800000E+001 +6.50800000E+004 /
PLOG /                           +1.00000000E+000 +2.39000000E+033 -6.62000000E+000 +4.12800000E+004 /
PLOG /                           +3.16000000E+000 +1.86000000E+068 -1.68300000E+001 +6.06800000E+004 /
PLOG /                           +3.16000000E+000 +6.37000000E+031 -5.96000000E+000 +4.12600000E+004 /
PLOG /                           +1.00000000E+001 +2.02000000E+055 -1.26900000E+001 +5.58400000E+004 /
PLOG /                           +1.00000000E+001 +2.13000000E+029 -5.10000000E+000 +4.07100000E+004 /
PLOG /                           +3.16000000E+001 +1.11000000E+053 -1.17900000E+001 +5.66900000E+004 /
PLOG /                           +3.16000000E+001 +4.66000000E+027 -4.50000000E+000 +4.05300000E+004 /
PLOG /                           +1.00000000E+002 +4.30000000E+048 -1.03100000E+001 +5.60900000E+004 /
PLOG /                           +1.00000000E+002 +5.99000000E+025 -3.85000000E+000 +4.01200000E+004 /
IC4H7-I1OO<=>CH3CHO+CH3CO                         +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 !\Author: NL !\Ref: ANALOGY TO C2H3OO<=>CH2O+HCO !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.66000000E+174 -5.55200000E+001 +6.03200000E+004 /
PLOG /                           +1.00000000E-002 +2.27000000E+035 -7.97000000E+000 +3.12800000E+004 /
PLOG /                           +1.00000000E-001 +9.03000000E+066 -1.72500000E+001 +4.81200000E+004 /
PLOG /                           +1.00000000E-001 +2.08000000E+026 -4.96000000E+000 +2.87800000E+004 /
PLOG /                           +3.16000000E-001 +1.82000000E+043 -9.87000000E+000 +3.79600000E+004 /
PLOG /                           +3.16000000E-001 +1.45000000E+020 -3.08000000E+000 +2.66300000E+004 /
PLOG /                           +1.00000000E+000 +8.64000000E+033 -6.88000000E+000 +3.43700000E+004 /
PLOG /                           +1.00000000E+000 +1.06000000E+130 -3.93800000E+001 +5.47000000E+004 /
PLOG /                           +3.16000000E+000 +7.29000000E+171 -4.35300000E+001 +1.91900000E+005 /
PLOG /                           +3.16000000E+000 +2.35000000E+034 -6.87000000E+000 +3.57000000E+004 /
PLOG /                           +1.00000000E+001 +1.03000000E+032 -6.06000000E+000 +3.55000000E+004 /
PLOG /                           +1.00000000E+001 +2.18000000E+175 -5.37800000E+001 +6.85000000E+004 /
PLOG /                           +3.16000000E+001 +1.85000000E+034 -6.57000000E+000 +3.85100000E+004 /
PLOG /                           +3.16000000E+001 +1.07000000E+185 -5.42200000E+001 +8.89900000E+004 /
PLOG /                           +1.00000000E+002 +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+002 +4.68000000E+002 +1.81000000E+000 +1.81000000E+004 /
IC4H7-I1OO=>CH3CHO+CH3+CO                        +1.33000000E+030 -5.19000000E+000 +3.68000000E+004 !\Author: NL !\Ref: C2H3OO=>CH2O+H+CO GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.88000000E+174 -5.55200000E+001 +6.03200000E+004 /
PLOG /                           +1.00000000E-002 +5.29000000E+035 -7.97000000E+000 +3.12800000E+004 /
PLOG /                           +1.00000000E-001 +2.11000000E+067 -1.72500000E+001 +4.81200000E+004 /
PLOG /                           +1.00000000E-001 +4.85000000E+026 -4.96000000E+000 +2.87800000E+004 /
PLOG /                           +3.16000000E-001 +4.26000000E+043 -9.87000000E+000 +3.79600000E+004 /
PLOG /                           +3.16000000E-001 +3.37000000E+020 -3.08000000E+000 +2.66300000E+004 /
PLOG /                           +1.00000000E+000 +2.02000000E+034 -6.88000000E+000 +3.43700000E+004 /
PLOG /                           +1.00000000E+000 +2.46000000E+130 -3.93800000E+001 +5.47000000E+004 /
PLOG /                           +3.16000000E+000 +1.70000000E+172 -4.35300000E+001 +1.91900000E+005 /
PLOG /                           +3.16000000E+000 +5.49000000E+034 -6.87000000E+000 +3.57000000E+004 /
PLOG /                           +1.00000000E+001 +2.40000000E+032 -6.06000000E+000 +3.55000000E+004 /
PLOG /                           +1.00000000E+001 +5.09000000E+175 -5.37800000E+001 +6.85000000E+004 /
PLOG /                           +3.16000000E+001 +4.32000000E+034 -6.57000000E+000 +3.85100000E+004 /
PLOG /                           +3.16000000E+001 +2.49000000E+185 -5.42200000E+001 +8.89900000E+004 /
PLOG /                           +1.00000000E+002 +1.33000000E+030 -5.19000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+002 +1.09000000E+003 +1.81000000E+000 +1.81000000E+004 /
IC4H7-I1+O2<=>TC3H6CHO+O                          +3.47000000E+013 -2.40000000E-001 +8.63900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.84000000E+009 +8.30000000E-001 +1.96300000E+003 /
PLOG /                           +1.00000000E-001 +2.34000000E+009 +8.10000000E-001 +2.04900000E+003 /
PLOG /                           +3.16000000E-001 +4.10000000E+009 +7.40000000E-001 +2.25000000E+003 /
PLOG /                           +1.00000000E+000 +1.91000000E+010 +5.50000000E-001 +2.80700000E+003 /
PLOG /                           +3.16000000E+000 +4.47000000E+011 +1.80000000E-001 +4.01400000E+003 /
PLOG /                           +1.00000000E+001 +2.99000000E+013 -3.10000000E-001 +5.86200000E+003 /
PLOG /                           +3.16000000E+001 +3.85000000E+014 -5.90000000E-001 +7.71300000E+003 /
PLOG /                           +1.00000000E+002 +3.47000000E+013 -2.40000000E-001 +8.63900000E+003 /
IC4H7-I1+O2<=>IC3H6CO+OH                          +7.33000000E+006 +1.42000000E+000 +1.31000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.61000000E+001 +2.92000000E+000 +6.82200000E+003 /
PLOG /                           +1.00000000E-001 +1.81000000E+001 +2.91000000E+000 +6.86300000E+003 /
PLOG /                           +3.16000000E-001 +2.38000000E+001 +2.88000000E+000 +6.95900000E+003 /
PLOG /                           +1.00000000E+000 +5.27000000E+001 +2.78000000E+000 +7.23800000E+003 /
PLOG /                           +3.16000000E+000 +3.77000000E+002 +2.55000000E+000 +7.94800000E+003 /
PLOG /                           +1.00000000E+001 +1.46000000E+004 +2.11000000E+000 +9.35600000E+003 /
PLOG /                           +3.16000000E+001 +1.10000000E+006 +1.61000000E+000 +1.13300000E+004 /
PLOG /                           +1.00000000E+002 +7.33000000E+006 +1.42000000E+000 +1.31000000E+004 /
IC4H7-I1+O2<=>IC3H5CHO+OH                         +8.16000000E+016 -1.34000000E+000 +7.00500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.51000000E+014 -8.50000000E-001 +1.31900000E+003 /
PLOG /                           +1.00000000E-001 +4.73000000E+014 -8.50000000E-001 +1.33700000E+003 /
PLOG /                           +3.16000000E-001 +6.20000000E+014 -8.90000000E-001 +1.43000000E+003 /
PLOG /                           +1.00000000E+000 +2.46000000E+015 -1.05000000E+000 +1.91200000E+003 /
PLOG /                           +3.16000000E+000 +7.29000000E+016 -1.46000000E+000 +3.19400000E+003 /
PLOG /                           +1.00000000E+001 +4.24000000E+018 -1.93000000E+000 +5.09400000E+003 /
PLOG /                           +3.16000000E+001 +1.18000000E+019 -2.01000000E+000 +6.66600000E+003 /
PLOG /                           +1.00000000E+002 +8.16000000E+016 -1.34000000E+000 +7.00500000E+003 /
IC4H7-I1+O2<=>CH3+CH3COCHO                        +4.68000000E+012 -6.40000000E-001 +7.36400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.83000000E+008 +3.60000000E-001 +2.59000000E+002 /
PLOG /                           +1.00000000E-001 +4.18000000E+008 +3.50000000E-001 +2.91300000E+002 /
PLOG /                           +3.16000000E-001 +5.81000000E+008 +3.10000000E-001 +4.09800000E+002 /
PLOG /                           +1.00000000E+000 +2.39000000E+009 +1.40000000E-001 +9.14800000E+002 /
PLOG /                           +3.16000000E+000 +7.40000000E+010 -2.70000000E-001 +2.22000000E+003 /
PLOG /                           +1.00000000E+001 +5.24000000E+012 -7.70000000E-001 +4.17500000E+003 /
PLOG /                           +3.16000000E+001 +5.09000000E+013 -1.00000000E+000 +6.12700000E+003 /
PLOG /                           +1.00000000E+002 +4.68000000E+012 -6.40000000E-001 +7.36400000E+003 /
IC4H7-I1+O2<=>CH3CO+CH3CHO                        +1.11000000E+016 -1.48000000E+000 +6.90600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.00000000E+014 -1.31000000E+000 +1.70900000E+003 /
PLOG /                           +1.00000000E-001 +8.24000000E+014 -1.31000000E+000 +1.71800000E+003 /
PLOG /                           +3.16000000E-001 +1.05000000E+015 -1.34000000E+000 +1.79700000E+003 /
PLOG /                           +1.00000000E+000 +4.18000000E+015 -1.51000000E+000 +2.27400000E+003 /
PLOG /                           +3.16000000E+000 +2.30000000E+018 -2.27000000E+000 +4.42900000E+003 /
PLOG /                           +1.00000000E+001 +3.06000000E+017 -2.00000000E+000 +4.52800000E+003 /
PLOG /                           +3.16000000E+001 +4.91000000E+018 -2.29000000E+000 +6.70900000E+003 /
PLOG /                           +1.00000000E+002 +1.11000000E+016 -1.48000000E+000 +6.90600000E+003 /
IC4H7-I1+O2<=>CH3COCH3+HCO                        +1.32000000E+021 -2.49000000E+000 +8.43900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.03000000E+018 -1.90000000E+000 +2.18700000E+003 /
PLOG /                           +1.00000000E-001 +3.05000000E+018 -1.90000000E+000 +2.18600000E+003 /
PLOG /                           +3.16000000E-001 +3.73000000E+018 -1.93000000E+000 +2.24600000E+003 /
PLOG /                           +1.00000000E+000 +1.50000000E+019 -2.10000000E+000 +2.71200000E+003 /
PLOG /                           +3.16000000E+000 +5.19000000E+020 -2.52000000E+000 +4.03200000E+003 /
PLOG /                           +1.00000000E+001 +1.49000000E+022 -2.90000000E+000 +5.75200000E+003 /
PLOG /                           +3.16000000E+001 +1.56000000E+023 -3.14000000E+000 +7.82400000E+003 /
PLOG /                           +1.00000000E+002 +1.32000000E+021 -2.49000000E+000 +8.43900000E+003 /
IC4H7-I1+O2<=>CO2+IC3H7                           +9.18000000E+018 -2.39000000E+000 +8.50800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.66000000E+016 -1.77000000E+000 +2.16000000E+003 /
PLOG /                           +1.00000000E-001 +1.69000000E+016 -1.77000000E+000 +2.16400000E+003 /
PLOG /                           +3.16000000E-001 +2.12000000E+016 -1.80000000E+000 +2.23600000E+003 /
PLOG /                           +1.00000000E+000 +8.51000000E+016 -1.97000000E+000 +2.70900000E+003 /
PLOG /                           +3.16000000E+000 +2.85000000E+018 -2.39000000E+000 +4.02500000E+003 /
PLOG /                           +1.00000000E+001 +1.20000000E+020 -2.81000000E+000 +5.85800000E+003 /
PLOG /                           +3.16000000E+001 +6.93000000E+020 -2.98000000E+000 +7.74800000E+003 /
PLOG /                           +1.00000000E+002 +9.18000000E+018 -2.39000000E+000 +8.50800000E+003 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+HO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
IC4H7+HO2<=>IC4H7OOH                              +3.90000000E+034 -6.79500000E+000 +7.65400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +6.10000000E+017 -3.06200000E+000 -6.39400000E+003 /
PLOG /                           +1.00000000E+000 +3.30000000E+035 -7.87200000E+000 +3.12300000E+003 /
PLOG /                           +1.00000000E+001 +3.64000000E+040 -8.90600000E+000 +8.11800000E+003 /
PLOG /                           +1.00000000E+002 +3.90000000E+034 -6.79500000E+000 +7.65400000E+003 /
IC4H7+HO2<=>IC4H7O+OH                             +4.81000000E+017 -1.22800000E+000 +7.79800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +7.88000000E+009 +7.83000000E-001 -2.33000000E+003 /
PLOG /                           +1.00000000E+000 +1.00000000E+013 -8.70000000E-002 -1.10000000E+001 /
PLOG /                           +1.00000000E+001 +1.60000000E+018 -1.50300000E+000 +4.82400000E+003 /
PLOG /                           +1.00000000E+002 +4.81000000E+017 -1.22800000E+000 +7.79800000E+003 /
IC4H7+HO2<=>IC3H5CHO+H2O                          +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.09000000E+000 +3.01000000E+000 -3.42110000E+003 /
PLOG /                           +1.00000000E-001 +6.35000000E+001 +2.50000000E+000 -2.34140000E+003 /
PLOG /                           +1.00000000E+000 +6.05000000E+005 +1.39000000E+000 +5.95100000E+002 /
PLOG /                           +1.00000000E+001 +3.10000000E+005 +1.59000000E+000 +2.67760000E+003 /
PLOG /                           +1.00000000E+002 +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 /
IC4H7OOH<=>IC3H5CHO+H2O                           +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.99000000E+050 -1.27000000E+001 +5.35319000E+004 /
PLOG /                           +1.00000000E-001 +4.72000000E+047 -1.15000000E+001 +5.43609000E+004 /
PLOG /                           +1.00000000E+000 +1.50000000E+040 -8.84000000E+000 +5.31792000E+004 /
PLOG /                           +1.00000000E+001 +2.54000000E+028 -5.00000000E+000 +4.99194000E+004 /
PLOG /                           +1.00000000E+002 +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 /
IC4H7OOH<=>IC4H7O+OH                              +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: DECOMP BELONGS TO THE ALLYL+HO2 MECHANISM. 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
IC4H7O<=>C3H5-T+CH2O                              +8.52000000E+025 -3.61000000E+000 +2.78634000E+004 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +7.26000000E+006 +1.82000000E-001 +1.78155000E+004 /
PLOG /                           +1.00000000E-002 +6.97000000E+016 -2.50000000E+000 +2.08787000E+004 /
PLOG /                           +1.00000000E-001 +6.64000000E+023 -4.23000000E+000 +2.35650000E+004 /
PLOG /                           +1.00000000E+000 +1.07000000E+026 -4.56000000E+000 +2.46229000E+004 /
PLOG /                           +1.00000000E+001 +6.50000000E+029 -5.37000000E+000 +2.66450000E+004 /
PLOG /                           +1.00000000E+002 +4.63000000E+031 -5.59000000E+000 +2.89153000E+004 /
PLOG /                           +1.00000000E+003 +8.52000000E+025 -3.61000000E+000 +2.78634000E+004 /
IC4H7O<=>IC3H5CHO+H                               +2.57000000E+020 -2.06000000E+000 +2.20401000E+004 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +3.00000000E+015 -2.31000000E+000 +1.46679000E+004 /
PLOG /                           +1.00000000E-002 +1.50000000E+022 -3.96000000E+000 +1.82830000E+004 /
PLOG /                           +1.00000000E-001 +1.95000000E+023 -3.99000000E+000 +1.91433000E+004 /
PLOG /                           +1.00000000E+000 +1.15000000E+025 -4.24000000E+000 +2.03112000E+004 /
PLOG /                           +1.00000000E+001 +1.76000000E+028 -4.89000000E+000 +2.27652000E+004 /
PLOG /                           +1.00000000E+002 +1.41000000E+027 -4.28000000E+000 +2.37706000E+004 /
PLOG /                           +1.00000000E+003 +2.57000000E+020 -2.06000000E+000 +2.20401000E+004 /
IC4H7O<=>C3H6+HCO                                 +4.75000000E+008 +1.14000000E+000 +2.09225000E+004 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +6.62000000E+016 -2.84000000E+000 +1.31970000E+004 /
PLOG /                           +1.00000000E-002 +1.26000000E+020 -3.53000000E+000 +1.54692000E+004 /
PLOG /                           +1.00000000E-001 +2.13000000E+021 -3.64000000E+000 +1.65845000E+004 /
PLOG /                           +1.00000000E+000 +1.07000000E+024 -4.16000000E+000 +1.89850000E+004 /
PLOG /                           +1.00000000E+001 +8.42000000E+025 -4.40000000E+000 +2.23826000E+004 /
PLOG /                           +1.00000000E+002 +1.86000000E+021 -2.73000000E+000 +2.36588000E+004 /
PLOG /                           +1.00000000E+003 +4.75000000E+008 +1.14000000E+000 +2.09225000E+004 /
IC4H7O-1<=>C3H5-T+CH2O                            +8.81000000E+014 -3.26000000E-001 +3.15531000E+004 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +3.30000000E+009 -6.38000000E-001 +1.97478000E+004 /
PLOG /                           +1.00000000E-002 +3.36000000E+021 -3.90000000E+000 +2.39452000E+004 /
PLOG /                           +1.00000000E-001 +2.91000000E+029 -5.90000000E+000 +2.72497000E+004 /
PLOG /                           +1.00000000E+000 +1.83000000E+034 -6.94000000E+000 +3.06904000E+004 /
PLOG /                           +1.00000000E+001 +9.72000000E+033 -6.50000000E+000 +3.30025000E+004 /
PLOG /                           +1.00000000E+002 +2.68000000E+027 -4.26000000E+000 +3.33056000E+004 /
PLOG /                           +1.00000000E+003 +8.81000000E+014 -3.26000000E-001 +3.15531000E+004 /
IC4H7O-1<=>IC3H5CHO+H                             +3.98000000E+018 -1.62000000E+000 +3.01298000E+004 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +4.93000000E+024 -5.05000000E+000 +2.01084000E+004 /
PLOG /                           +1.00000000E-002 +2.14000000E+028 -5.80000000E+000 +2.22194000E+004 /
PLOG /                           +1.00000000E-001 +1.93000000E+032 -6.64000000E+000 +2.51082000E+004 /
PLOG /                           +1.00000000E+000 +8.60000000E+034 -7.11000000E+000 +2.82091000E+004 /
PLOG /                           +1.00000000E+001 +2.17000000E+034 -6.64000000E+000 +3.06476000E+004 /
PLOG /                           +1.00000000E+002 +4.17000000E+028 -4.71000000E+000 +3.12319000E+004 /
PLOG /                           +1.00000000E+003 +3.98000000E+018 -1.62000000E+000 +3.01298000E+004 /
IC4H7O-1<=>C3H6+HCO                               +3.73000000E+014 -7.26000000E-001 +3.20083000E+004 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +8.23000000E+026 -5.84000000E+000 +1.93569000E+004 /
PLOG /                           +1.00000000E-002 +1.32000000E+029 -6.21000000E+000 +2.12936000E+004 /
PLOG /                           +1.00000000E-001 +3.47000000E+032 -6.96000000E+000 +2.41973000E+004 /
PLOG /                           +1.00000000E+000 +1.44000000E+036 -7.76000000E+000 +2.80078000E+004 /
PLOG /                           +1.00000000E+001 +9.72000000E+037 -8.02000000E+000 +3.23946000E+004 /
PLOG /                           +1.00000000E+002 +2.43000000E+031 -5.81000000E+000 +3.42958000E+004 /
PLOG /                           +1.00000000E+003 +3.73000000E+014 -7.26000000E-001 +3.20083000E+004 /
C3H5-T+CH2O<=>IC3H5CHO+H                          +6.01000000E+005 +2.09000000E+000 +7.89560000E+003 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +2.60000000E+004 +2.26000000E+000 +1.51030000E+003 /
PLOG /                           +1.00000000E-002 +5.13000000E+004 +2.17000000E+000 +1.67550000E+003 /
PLOG /                           +1.00000000E-001 +3.99000000E+005 +1.91000000E+000 +2.21830000E+003 /
PLOG /                           +1.00000000E+000 +1.75000000E+007 +1.45000000E+000 +3.42800000E+003 /
PLOG /                           +1.00000000E+001 +1.35000000E+009 +9.33000000E-001 +5.17300000E+003 /
PLOG /                           +1.00000000E+002 +2.24000000E+011 +3.57000000E-001 +8.00130000E+003 /
PLOG /                           +1.00000000E+003 +6.01000000E+005 +2.09000000E+000 +7.89560000E+003 /
C3H5-T+CH2O<=>C3H6+HCO                            +1.65000000E+001 +3.17000000E+000 +9.39980000E+003 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.11000000E+007 +1.09000000E+000 +1.80720000E+003 /
PLOG /                           +1.00000000E-002 +2.47000000E+007 +9.93000000E-001 +1.99490000E+003 /
PLOG /                           +1.00000000E-001 +2.47000000E+008 +7.04000000E-001 +2.59620000E+003 /
PLOG /                           +1.00000000E+000 +1.42000000E+010 +2.09000000E-001 +3.93420000E+003 /
PLOG /                           +1.00000000E+001 +3.45000000E+013 -7.26000000E-001 +6.94430000E+003 /
PLOG /                           +1.00000000E+002 +3.31000000E+014 -8.66000000E-001 +1.09657000E+004 /
PLOG /                           +1.00000000E+003 +1.65000000E+001 +3.17000000E+000 +9.39980000E+003 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+CH3O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
IC4H7+CH3O2<=>IC4H7O+CH3O                         +9.62000000E+017 -1.22800000E+000 +7.79800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +1.57600000E+010 +7.83000000E-001 -2.33000000E+003 /
PLOG /                           +1.00000000E+000 +2.00000000E+013 -8.70000000E-002 -1.10000000E+001 /
PLOG /                           +1.00000000E+001 +3.20000000E+018 -1.50300000E+000 +4.82400000E+003 /
PLOG /                           +1.00000000E+002 +9.62000000E+017 -1.22800000E+000 +7.79800000E+003 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>RO2
!___________________________________________________________________________________________________________ 
IC4H7+O2<=>IC4H7O2                                +1.09000000E+010 +5.67250000E-001 +2.29000000E+003 !\Author: WARNING !\Ref: CHIUNG-JU CHEN AND J. W. BOZZELLI, J. PHYS. CHEM. A., 2000, 104, 9715-9732. !\Comment: HPL ONLY 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>QOOH
!___________________________________________________________________________________________________________ 
IC4H7O2<=>IC4H6OOH-I                              +1.41000000E+005 +1.83586000E+000 +1.98200000E+004 !\Author: WARNING !\Ref: CHIUNG-JU CHEN AND J. W. BOZZELLI, J. PHYS. CHEM. A., 2000, 104, 9715-9732. !\Comment: WARNING 
IC4H7O2<=>CCYCCOOC-T1                             +7.23000000E-016 +7.93000000E+000 +1.59800000E+004 !\Author: NL !\Ref: SUN ET AL. PCCP(2019) !\Comment: WARNING 
IC4H7O2<=>C2CYCOOC-I1                             +1.47000000E-004 +4.68000000E+000 +1.88800000E+004 !\Author: NL !\Ref: SUN ET AL. PCCP(2019) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
IC4H7O2<=>IC4H7O+O                                +1.82000000E+014 +0.00000000E+000 +6.06200000E+004 !\Author: WARNING !\Ref: CHIUNG-JU CHEN AND J. W. BOZZELLI, J. PHYS. CHEM. A., 2000, 104, 9715-9732. !\Comment: WARNING 
IC4H7O2<=>IC3H5CHO+OH                             +1.52000000E+009 +1.02524000E+000 +3.94600000E+004 !\Author: WARNING !\Ref: CHIUNG-JU CHEN AND J. W. BOZZELLI, J. PHYS. CHEM. A., 2000, 104, 9715-9732. !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
IC4H6OOH-I<=>CVCYCCOC+OH                          +6.82000000E+012 -3.45450000E-001 +4.21400000E+004 !\Author: WARNING !\Ref: CHIUNG-JU CHEN AND J. W. BOZZELLI, J. PHYS. CHEM. A., 2000, 104, 9715-9732. !\Comment: WARNING 
IC4H6OOH-I<=>C3H4-A+CH2O2H                        +1.18000000E+012 +9.12030000E-001 +5.13900000E+004 !\Author: WARNING !\Ref: CHIUNG-JU CHEN AND J. W. BOZZELLI, J. PHYS. CHEM. A., 2000, 104, 9715-9732. !\Comment: WARNING 
IC4H6OOH-I<=>IC3H5CHO+OH                          +2.42000000E+009 +8.73900000E-001 +5.40900000E+004 !\Author: WARNING !\Ref: CHIUNG-JU CHEN AND J. W. BOZZELLI, J. PHYS. CHEM. A., 2000, 104, 9715-9732. !\Comment: WARNING 
CCYCCOOC-T1<=>CCYC2OCO                            +4.56000000E+011 +9.27290000E-001 +1.74700000E+004 !\Author: WARNING !\Ref: CHIUNG-JU CHEN AND J. W. BOZZELLI, J. PHYS. CHEM. A., 2000, 104, 9715-9732. !\Comment: WARNING 
CCYCCOOC-T1<=>CCYCCOOC-I2                         +3.56000000E+013 +0.00000000E+000 +3.88200000E+004 !\Author: WARNING !\Ref: CHIUNG-JU CHEN AND J. W. BOZZELLI, J. PHYS. CHEM. A., 2000, 104, 9715-9732. !\Comment: WARNING 
CCYCCOOC-I2<=>CHOIC3H6O                           +3.19000000E+014 +0.00000000E+000 +3.00000000E+003 !\Author: WARNING !\Ref: CHIUNG-JU CHEN AND J. W. BOZZELLI, J. PHYS. CHEM. A., 2000, 104, 9715-9732. !\Comment: WARNING 
C2CYCOOC-I1<=>IC3H5OOCH2                          +4.41000000E+013 -2.26180000E-001 +1.85000000E+004 !\Author: WARNING !\Ref: CHIUNG-JU CHEN AND J. W. BOZZELLI, J. PHYS. CHEM. A., 2000, 104, 9715-9732. !\Comment: WARNING 
IC3H5OOCH2<=>CH3COCH2+CH2O                        +1.41000000E+010 +0.00000000E+000 +1.00000000E+003 !\Author: WARNING !\Ref: CHIUNG-JU CHEN AND J. W. BOZZELLI, J. PHYS. CHEM. A., 2000, 104, 9715-9732. !\Comment: WARNING 
CHOIC3H6O<=>CH3CHCHO+CH2O                         +4.30000000E+012 +0.00000000E+000 +9.78000000E+003 !\Author: WARNING !\Ref: CHIUNG-JU CHEN AND J. W. BOZZELLI, J. PHYS. CHEM. A., 2000, 104, 9715-9732. !\Comment: WARNING 
CCYC2OCO<=>CCYCCO-T1+CH2O                         +1.74000000E+013 +0.00000000E+000 +1.81500000E+004 !\Author: WARNING !\Ref: CHIUNG-JU CHEN AND J. W. BOZZELLI, J. PHYS. CHEM. A., 2000, 104, 9715-9732. !\Comment: WARNING 
C2CYCOOC-I1<=>CCYC2OCO                            +1.21000000E+013 +1.01800000E-001 +2.03200000E+004 !\Author: WARNING !\Ref: CHIUNG-JU CHEN AND J. W. BOZZELLI, J. PHYS. CHEM. A., 2000, 104, 9715-9732. !\Comment: WARNING 
CCYCCO-T1=>CH3+CH2CO                              +1.41000000E+010 +0.00000000E+000 +1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
CCYCCO-T1=>CH3+CH2CO                              +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
CVCYCCOC+OH=>C3H4-A+HCO+H2O                       +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CVCYCCOC+O=>C3H4-A+HCO+OH                         +5.62000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CVCYCCOC+HO2=>C3H4-A+HCO+H2O2                     +5.00000000E+012 +0.00000000E+000 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CVCYCCOC+H=>C3H4-A+HCO+H2                         +1.76000000E+007 +2.00000000E+000 +5.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CVCYCCOC+CH3=>C3H4-A+HCO+CH4                      +1.00000000E+011 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CVCYCCOC+CH3O2=>C3H4-A+HCO+CH3O2H                 +5.00000000E+012 +0.00000000E+000 +1.90000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
IC4H7+IC4H7O2<=>IC4H7O+IC4H7O                     +2.40000000E+017 -1.22800000E+000 +7.79800000E+003 !\Author: !A/ 2_NL\ FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +3.94000000E+009 +7.83000000E-001 -2.33000000E+003 /
PLOG /                           +1.00000000E+000 +5.00000000E+012 -8.70000000E-002 -1.10000000E+001 /
PLOG /                           +1.00000000E+001 +8.00000000E+017 -1.50300000E+000 +4.82400000E+003 /
PLOG /                           +1.00000000E+002 +2.40000000E+017 -1.22800000E+000 +7.79800000E+003 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2+RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
IC4H7O2+IC4H7O2=>IC4H7O+IC4H7O+O2                 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: NL !\Ref: ALKANES ESTIMATED !\Comment: WARNING 
IC4H7O2+CH3CO3=>IC4H7O+CH3CO2+O2                  +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: NL !\Ref: WARNING !\Comment: WARNING 
IC4H7O2+C2H5O2=>IC4H7O+C2H5O+O2                   +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: NL !\Ref: WARNING !\Comment: WARNING 
IC4H7O2+NC3H7O2=>IC4H7O+NC3H7O+O2                 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: NL !\Ref: WARNING !\Comment: WARNING 
IC4H7O2+IC3H7O2=>IC4H7O+IC3H7O+O2                 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: NL !\Ref: WARNING !\Comment: WARNING 
IC4H7O2+PC4H9O2=>IC4H7O+PC4H9O+O2                 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: NL !\Ref: WARNING !\Comment: WARNING 
IC4H7O2+SC4H9O2=>IC4H7O+SC4H9O+O2                 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: NL !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
IC4H7+NC3H7O2<=>IC4H7O+NC3H7O                     +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
IC4H7+PC4H9O2<=>IC4H7O+PC4H9O                     +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
IC4H7+SC4H9O2<=>IC4H7O+SC4H9O                     +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
IC4H7+IC3H7O2<=>IC4H7O+IC3H7O                     +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
IC4H7+TC4H9O2<=>IC4H7O+TC4H9O                     +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONOH
!___________________________________________________________________________________________________________ 
IC4H8+OH<=>IC4H7OH+H                              +8.19000000E+002 +2.84000000E+000 +1.04810000E+004 !\Author: WARNING !\Ref: ZADOR PHYS. CHEM. CHEM. PHYS., 2009, 11, 11040?1053 !\Comment: WARNING 
PLOG /                           +1.30000000E-003 +2.67000000E+013 +5.00000000E-002 +1.06110000E+004 /
PLOG /                           +1.00000000E-002 +2.75000000E+013 +5.00000000E-002 +1.06230000E+004 /
PLOG /                           +1.30000000E-002 +2.87000000E+013 +4.00000000E-002 +1.06340000E+004 /
PLOG /                           +2.50000000E-002 +1.59000000E+014 -1.60000000E-001 +1.11250000E+004 /
PLOG /                           +1.00000000E-001 +3.10000000E+014 -2.20000000E-001 +1.14070000E+004 /
PLOG /                           +1.31500000E-001 +3.78000000E+014 -2.40000000E-001 +1.14580000E+004 /
PLOG /                           +1.00000000E+000 +9.15000000E+007 +1.42000000E+000 +1.00870000E+004 /
PLOG /                           +1.00000000E+001 +3.66000000E+005 +2.14000000E+000 +1.04100000E+004 /
PLOG /                           +1.00000000E+002 +8.19000000E+002 +2.84000000E+000 +1.04810000E+004 /
IC4H8+OH<=>IC3H5OH+CH3                            +3.30000000E-001 +3.70000000E+000 +3.66500000E+003 !\Author: WARNING !\Ref: ZADOR PHYS. CHEM. CHEM. PHYS., 2009, 11, 11040?1053 !\Comment: WARNING 
PLOG /                           +1.30000000E-003 +1.29000000E+006 +1.65000000E+000 +1.23300000E+003 /
PLOG /                           +1.00000000E-002 +1.82000000E+004 +2.10000000E+000 +1.16200000E+003 /
PLOG /                           +1.30000000E-002 +2.04000000E+003 +2.48000000E+000 +1.12800000E+003 /
PLOG /                           +2.50000000E-002 +2.88000000E+002 +2.80000000E+000 +1.15200000E+003 /
PLOG /                           +1.00000000E-001 +1.40000000E+001 +3.21000000E+000 +1.20800000E+003 /
PLOG /                           +1.31500000E-001 +7.71000000E+000 +3.29000000E+000 +1.21600000E+003 /
PLOG /                           +1.00000000E+000 +1.13000000E+004 +2.50000000E+000 +3.23800000E+003 /
PLOG /                           +1.00000000E+001 +2.41000000E+019 -1.74000000E+000 +1.31070000E+004 /
PLOG /                           +1.00000000E+002 +3.30000000E-001 +3.70000000E+000 +3.66500000E+003 /
IC4H8+OH<=>SC4H7OH-I+H                            +4.46000000E-006 +5.03000000E+000 +4.13200000E+003 !\Author: WARNING !\Ref: ZADOR PHYS. CHEM. CHEM. PHYS., 2009, 11, 11040?1053 !\Comment: SINEAD, MOD 0509 KWZ 
PLOG /                           +1.30000000E-003 +3.47000000E+006 +1.53000000E+000 +4.28800000E+003 /
PLOG /                           +1.00000000E-002 +1.08000000E+007 +1.34000000E+000 +4.57600000E+003 /
PLOG /                           +1.30000000E-002 +9.76000000E+006 +1.33000000E+000 +4.58900000E+003 /
PLOG /                           +2.50000000E-002 +5.14000000E+006 +1.36000000E+000 +4.59400000E+003 /
PLOG /                           +1.00000000E-001 +3.13000000E+005 +1.69000000E+000 +4.60300000E+003 /
PLOG /                           +1.31500000E-001 +1.39000000E+005 +1.80000000E+000 +4.60300000E+003 /
PLOG /                           +1.00000000E+000 +1.03000000E+002 +2.83000000E+000 +4.53000000E+003 /
PLOG /                           +1.00000000E+001 +3.40000000E-002 +3.89000000E+000 +4.39000000E+003 /
PLOG /                           +1.00000000E+002 +4.46000000E-006 +5.03000000E+000 +4.13200000E+003 /
IC4H8+OH<=>CH3COCH3+CH3                           +5.45000000E-005 +4.22000000E+000 +1.14100000E+003 !\Author: WARNING !\Ref: ZADOR PHYS. CHEM. CHEM. PHYS., 2009, 11, 11040?1053 !\Comment: WARNING 
PLOG /                           +1.30000000E-003 +6.93000000E+005 +1.49000000E+000 -5.36000000E+002 /
PLOG /                           +1.00000000E-002 +5.94000000E+003 +2.01000000E+000 -5.60000000E+002 /
PLOG /                           +1.30000000E-002 +1.10000000E+003 +2.22000000E+000 -6.80000000E+002 /
PLOG /                           +2.50000000E-002 +1.07000000E+002 +2.50000000E+000 -7.59000000E+002 /
PLOG /                           +1.00000000E-001 +7.83000000E-001 +3.10000000E+000 -9.19000000E+002 /
PLOG /                           +1.31500000E-001 +3.07000000E-001 +3.22000000E+000 -9.46000000E+002 /
PLOG /                           +1.00000000E+000 +3.16000000E-004 +4.05000000E+000 -1.14400000E+003 /
PLOG /                           +1.00000000E+001 +7.59000000E-006 +4.49000000E+000 -6.80000000E+002 /
PLOG /                           +1.00000000E+002 +5.45000000E-005 +4.22000000E+000 +1.14100000E+003 /
IC4H8+OH<=>IC4H8OH-IT                             +1.43000000E+048 -1.02300000E+001 +2.37720000E+004 !\Author: WARNING !\Ref: ZADOR PHYS. CHEM. CHEM. PHYS., 2009, 11, 11040?1053 !\Comment: WARNING 
PLOG /                           +1.30000000E-003 +2.30000000E+078 -2.07000000E+001 +3.24020000E+004 /
PLOG /                           +1.30000000E-003 +6.41000000E+059 -1.58400000E+001 +1.15940000E+004 /
PLOG /                           +1.00000000E-002 +2.74000000E+077 -2.00000000E+001 +3.38740000E+004 /
PLOG /                           +1.00000000E-002 +7.28000000E+059 -1.55100000E+001 +1.28980000E+004 /
PLOG /                           +1.30000000E-002 +1.07000000E+076 -1.95800000E+001 +3.28740000E+004 /
PLOG /                           +1.30000000E-002 +2.79000000E+059 -1.53400000E+001 +1.29130000E+004 /
PLOG /                           +2.50000000E-002 +3.68000000E+073 -1.87900000E+001 +3.13610000E+004 /
PLOG /                           +2.50000000E-002 +2.65000000E+058 -1.49300000E+001 +1.29360000E+004 /
PLOG /                           +1.00000000E-001 +1.04000000E+068 -1.70100000E+001 +2.79090000E+004 /
PLOG /                           +1.00000000E-001 +1.35000000E+056 -1.40400000E+001 +1.29450000E+004 /
PLOG /                           +1.32000000E-001 +7.23000000E+066 -1.66400000E+001 +2.71620000E+004 /
PLOG /                           +1.32000000E-001 +3.98000000E+055 -1.38500000E+001 +1.28870000E+004 /
PLOG /                           +1.00000000E+000 +1.95000000E+059 -1.41700000E+001 +2.30790000E+004 /
PLOG /                           +1.00000000E+000 +1.55000000E+050 -1.20400000E+001 +1.14930000E+004 /
PLOG /                           +1.00000000E+001 +7.58000000E+053 -1.22300000E+001 +2.29760000E+004 /
PLOG /                           +1.00000000E+001 +6.41000000E+041 -9.35000000E+000 +8.92100000E+003 /
PLOG /                           +1.00000000E+002 +1.43000000E+048 -1.02300000E+001 +2.37720000E+004 /
PLOG /                           +1.00000000E+002 +2.30000000E+032 -6.31000000E+000 +6.08800000E+003 /
IC4H8+OH<=>IC4H8OH-TI                             +7.65000000E+031 -6.31000000E+000 +6.08800000E+003 !\Author: WARNING !\Ref: ZADOR PHYS. CHEM. CHEM. PHYS., 2009, 11, 11040?1053 !\Comment: WARNING 
PLOG /                           +1.30000000E-003 +2.14000000E+059 -1.58400000E+001 +1.15940000E+004 /
PLOG /                           +1.30000000E-003 +7.68000000E+077 -2.07000000E+001 +3.24020000E+004 /
PLOG /                           +1.00000000E-002 +2.43000000E+059 -1.55100000E+001 +1.28980000E+004 /
PLOG /                           +1.00000000E-002 +9.13000000E+076 -2.00000000E+001 +3.38740000E+004 /
PLOG /                           +1.30000000E-002 +9.30000000E+058 -1.53400000E+001 +1.29130000E+004 /
PLOG /                           +1.30000000E-002 +3.55000000E+075 -1.95800000E+001 +3.28740000E+004 /
PLOG /                           +2.50000000E-002 +8.83000000E+057 -1.49300000E+001 +1.29360000E+004 /
PLOG /                           +2.50000000E-002 +1.23000000E+073 -1.87900000E+001 +3.13610000E+004 /
PLOG /                           +1.00000000E-001 +4.50000000E+055 -1.40400000E+001 +1.29450000E+004 /
PLOG /                           +1.00000000E-001 +3.45000000E+067 -1.70100000E+001 +2.79090000E+004 /
PLOG /                           +1.32000000E-001 +1.33000000E+055 -1.38500000E+001 +1.28870000E+004 /
PLOG /                           +1.32000000E-001 +2.41000000E+066 -1.66400000E+001 +2.71620000E+004 /
PLOG /                           +1.00000000E+000 +5.18000000E+049 -1.20400000E+001 +1.14930000E+004 /
PLOG /                           +1.00000000E+000 +6.50000000E+058 -1.41700000E+001 +2.30790000E+004 /
PLOG /                           +1.00000000E+001 +2.14000000E+041 -9.35000000E+000 +8.92100000E+003 /
PLOG /                           +1.00000000E+001 +2.53000000E+053 -1.22300000E+001 +2.29760000E+004 /
PLOG /                           +1.00000000E+002 +7.65000000E+031 -6.31000000E+000 +6.08800000E+003 /
PLOG /                           +1.00000000E+002 +4.78000000E+047 -1.02300000E+001 +2.37720000E+004 /
IC3H5CO=IC3H4CHO-A                                +3.65000000E+005 +1.98000000E+000 +3.51420000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC3H4CHO-A+HO2=OVCC(VC)COJ+OH                     +4.81000000E+017 -1.22800000E+000 +7.79800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +7.98000000E+009 +7.83000000E-001 -2.33000000E+003 /
PLOG /                           +1.00000000E+000 +1.01000000E+013 -8.70000000E-002 -1.10000000E+001 /
PLOG /                           +1.00000000E+001 +1.61000000E+018 -1.50300000E+000 +4.82400000E+003 /
PLOG /                           +1.00000000E+002 +4.81000000E+017 -1.22800000E+000 +7.79800000E+003 /
IC3H4CHO-A+HO2=OVCC(VC)COOH                       +3.90000000E+034 -6.79500000E+000 +7.65400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +6.09000000E+017 -3.06200000E+000 -6.39400000E+003 /
PLOG /                           +1.00000000E+000 +3.30000000E+035 -7.87200000E+000 +3.12300000E+003 /
PLOG /                           +1.00000000E+001 +3.63000000E+040 -8.90600000E+000 +8.11800000E+003 /
PLOG /                           +1.00000000E+002 +3.90000000E+034 -6.79500000E+000 +7.65400000E+003 /
OVCC(VC)COOH=OVCC(VC)COJ+OH                       +6.01000000E+036 -6.49900000E+000 +4.99340000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +5.01000000E+053 -1.22850000E+001 +5.26610000E+004 /
PLOG /                           +1.00000000E+000 +3.02000000E+052 -1.15920000E+001 +5.42560000E+004 /
PLOG /                           +1.00000000E+001 +4.92000000E+046 -9.60800000E+000 +5.34250000E+004 /
PLOG /                           +1.00000000E+002 +6.01000000E+036 -6.49900000E+000 +4.99340000E+004 /
OVCC(VC)COJ=IC4YAA+H                              +2.62000000E+025 -3.76300000E+000 +2.31650000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +2.14000000E+016 -1.92400000E+000 +1.59690000E+004 /
PLOG /                           +1.00000000E+000 +5.85000000E+017 -2.09100000E+000 +1.67470000E+004 /
PLOG /                           +1.00000000E+001 +2.56000000E+022 -3.17200000E+000 +1.99510000E+004 /
PLOG /                           +1.00000000E+002 +2.62000000E+025 -3.76300000E+000 +2.31650000E+004 /
IC4YAA+H<=>IC4YAA-R+H2                            +1.43000000E+006 +2.35700000E+000 +1.57700000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4YAA+O2<=>IC4YAA-R+HO2                          +4.00000000E+013 +0.00000000E+000 +4.07000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4YAA+O<=>IC4YAA-R+OH                            +1.44000000E+013 +0.00000000E+000 +1.38900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4YAA+OH<=>IC4YAA-R+H2O                          +7.46000000E+004 +2.60000000E+000 -2.30000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4YAA+HO2<=>IC4YAA-R+H2O2                        +2.36000000E-004 +4.92000000E+000 +3.68400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4YAA+CH3<=>IC4YAA-R+CH4                         +2.50000000E+000 +3.63400000E+000 +4.32900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4YAA-R=>CO+C2H3CO                               +1.28000000E+020 -1.89000000E+000 +3.44600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H6OOH-I+HO2=IC4H6Q2-II                         +4.73000000E+025 -4.13000000E+000 +2.92000000E+003 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITHJPCA 2012, 116(13), PP 3325 3346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.91000000E+031 -7.23000000E+000 +1.34000000E+003 /
PLOG /                           +1.00000000E-001 +6.31000000E+042 -1.03000000E+001 +5.57000000E+003 /
PLOG /                           +1.00000000E+000 +1.03000000E+045 -1.06000000E+001 +7.85000000E+003 /
PLOG /                           +1.00000000E+001 +2.79000000E+037 -7.92000000E+000 +6.50000000E+003 /
PLOG /                           +1.00000000E+002 +4.73000000E+025 -4.13000000E+000 +2.92000000E+003 /
IC4H6OOH-I+HO2=IC4QA-AOJ+OH                       +4.81000000E+017 -1.22800000E+000 +7.79800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +7.88000000E+009 +7.83000000E-001 -2.33000000E+003 /
PLOG /                           +1.00000000E+000 +1.00000000E+013 -8.70000000E-002 -1.10000000E+001 /
PLOG /                           +1.00000000E+001 +1.60000000E+018 -1.50300000E+000 +4.82400000E+003 /
PLOG /                           +1.00000000E+002 +4.81000000E+017 -1.22800000E+000 +7.79800000E+003 /
IC4H6Q2-II=IC4QA-AOJ+OH                           +1.28000000E+027 -3.61000000E+000 +4.63330000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42670000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41940000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24680000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63330000E+004 /
IC4QA-AOJ=OVCC(VC)COOH+H                          +3.92000000E+027 -4.66100000E+000 +1.56430000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +6.06000000E+015 -2.10600000E+000 +8.43600000E+003 /
PLOG /                           +1.00000000E+000 +3.16000000E+016 -2.02600000E+000 +8.58800000E+003 /
PLOG /                           +1.00000000E+001 +2.39000000E+021 -3.17600000E+000 +1.09930000E+004 /
PLOG /                           +1.00000000E+002 +3.92000000E+027 -4.66100000E+000 +1.56430000E+004 /
IC4H6OOH-I+O2=CVC(COOJ)COOH                       +5.45000000E+009 +5.67000000E-001 +2.29000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +1.55000000E+077 -2.15000000E+001 +1.99720000E+004 /
PLOG /                           +1.00000000E+000 +4.57000000E+074 -2.03800000E+001 +2.03960000E+004 /
PLOG /                           +1.00000000E+001 +1.02000000E+069 -1.83400000E+001 +1.96670000E+004 /
PLOG /                           +1.00000000E+003 +5.45000000E+009 +5.67000000E-001 +2.29000000E+003 /
CVC(COOJ)COOH=>OVCC(VC)COOH+OH                    +9.40000000E+004 +1.83600000E+000 +1.98200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +1.87000000E+001 +2.40000000E+000 +1.62350000E+004 /
PLOG /                           +1.00000000E+000 +1.81000000E+029 -6.09000000E+000 +2.62260000E+004 /
PLOG /                           +1.00000000E+001 +1.13000000E+025 -4.61000000E+000 +2.55210000E+004 /
PLOG /                           +1.00000000E+003 +9.40000000E+004 +1.83600000E+000 +1.98200000E+004 /
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: IC4H8
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C4H8-1
!\MECHCOMMENTS: PC4H9O AND SC4H9O MOVED TO N-BUTANE MECHANISM
!\MECHCOMMENTS: IF SIMULATING BUTENE, OR ANY MECHANISM THAT IS DEPENDENT ON BUTENE, DON'T REMOVE BUTANOL
!\MECHCOMMENTS: PC4H8OH-1: THIS SPECIES HAS NO FORMATION PATHWAYS IN THE MODEL, IT SHOULD BE REMOVED, MAYBE THIS IS A PART OF THE BUTANOL CHEMISTRY
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C3H5-A+CH3(+M)<=>C4H8-1(+M)                       +1.00000000E+014 -3.20000000E-001 -2.62300000E+002 !\Author: WARNING !\Ref: YIJUN ZHANG ET AL. COMBUSTION AND FLAME 159(2012) 905 C917 !\Comment: WARNING 
LOW /                                             +3.91000000E+060 -1.28100000E+001 +6.25000000E+003 /
TROE /                           +1.04000000E-001 +1.60600000E+003 +6.00000000E+004 +6.11840000E+003 /
AR / +0.7000 / CO / +1.5000 / CH4 / +2.0000 / H2 / +2.0000 / CO2 / +2.0000 / C2H6 / +3.0000 / H2O / +6.0000 / 
C2H5+C2H3(+M)<=>C4H8-1(+M)                        +1.50000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: YIJUN ZHANG ET AL. COMBUSTION AND FLAME 159(2012) 905 C917 !\Comment: WARNING 
LOW /                                             +1.55000000E+056 -1.17900000E+001 +8.98450000E+003 /
TROE /                           +1.98000000E-001 +2.27790000E+003 +6.00000000E+004 +5.72320000E+003 /
AR / +0.7000 / CO / +1.5000 / CO2 / +2.0000 / H2 / +2.0000 / CH4 / +2.0000 / C2H6 / +3.0000 / H2O / +6.0000 / 
C4H71-4+H(+M)<=>C4H8-1(+M)                        +3.60000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: YIJUN ZHANG ET AL. COMBUSTION AND FLAME 159(2012) 905 C917 !\Comment: WARNING 
LOW /                                             +3.01000000E+048 -9.32000000E+000 +5.83360000E+003 /
TROE /                           +4.98000000E-001 +1.31400000E+003 +1.31400000E+003 +5.00000000E+004 /
AR / +0.7000 / CO / +1.5000 / H2 / +2.0000 / CH4 / +2.0000 / CO2 / +2.0000 / C2H6 / +3.0000 / H2O / +6.0000 / 
C4H8-1=C4H71-3+H                                  +5.83000000E+026 -3.58600000E+000 +9.05160000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.59000000E+062 -1.53880000E+001 +9.83900000E+004 /
PLOG /                           +1.00000000E-002 +2.86000000E+063 -1.53410000E+001 +1.01589000E+005 /
PLOG /                           +1.00000000E-001 +3.25000000E+064 -1.52550000E+001 +1.05036000E+005 /
PLOG /                           +1.00000000E+000 +1.35000000E+057 -1.27760000E+001 +1.03861000E+005 /
PLOG /                           +1.00000000E+001 +1.63000000E+042 -8.19900000E+000 +9.78930000E+004 /
PLOG /                           +1.00000000E+002 +5.83000000E+026 -3.58600000E+000 +9.05160000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C4H8-1+H<=>C4H71-1+H2                              2.01E+06           2.44E+00         1.30E+04!\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
C4H8-1+O<=>C4H71-1+OH                             +1.20000000E+011 +7.00000000E-001 +8.95910000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C2H4+O !\Comment: WARNING 
C4H8-1+H<=>C4H71-2+H2                              2.11E+05           2.54E+00         9.72E+03!\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
C4H8-1+O<=>C4H71-2+OH                             +6.03000000E+010 +7.00000000E-001 +7.63200000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C2H4+O !\Comment: WARNING 
C4H8-1+H<=>C4H71-3+H2                              2.37E+05           2.56E+00         2.92E+03!\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
C4H8-1+O<=>C4H71-3+OH                             +1.75000000E+011 +7.00000000E-001 +5.88400000E+003 !\Author: WARNING !\Ref: IN ARAMCO !\Comment: WARNING 
C4H8-1+CH3O2<=>C4H71-3+CH3O2H                     +2.70000000E+004 +7.00000000E-001 +5.88400000E+003 !\Author: WARNING !\Ref: IN ARAMCO(TSANG '91) !\Comment: WARNING 
C4H8-1+CH3O<=>C4H71-3+CH3OH                       +4.00000000E+001 +2.90000000E+000 +8.60900000E+003 !\Author: WARNING !\Ref: IN ARAMCO(TSANG '91) !\Comment: WARNING 
C4H8-1+CH3CO3<=>C4H71-3+CH3CO3H                   +1.00000000E+011 +0.00000000E+000 +8.00000000E+003 !\Author: WARNING !\Ref: IN ARAMCO(DECHAUX, J.C., OXID. COMM. 2, 95(1981)) !\Comment: WARNING 
C4H8-1+C3H5-A<=>C4H71-3+C3H6                      +7.90000000E+010 +0.00000000E+000 +1.24000000E+004 !\Author: WARNING !\Ref: IN ARAMCO(DECHAUX, J.C., OXID. COMM. 2, 95(1981)) !\Comment: WARNING 
C4H8-1+C2H5O2<=>C4H71-3+C2H5O2H                   +1.40000000E+012 +0.00000000E+000 +1.49000000E+004 !\Author: WARNING !\Ref: IN ARAMCO(ALLARA, D. L. AND EDELSON, D., INT. J. CHEM. KINET. 7, 479(1975).) !\Comment: WARNING 
C4H8-1+NC3H7O2<=>C4H71-3+NC3H7O2H                 +1.40000000E+012 +0.00000000E+000 +1.49000000E+004 !\Author: WARNING !\Ref: IN ARAMCO(ALLARA, D. L. AND EDELSON, D., INT. J. CHEM. KINET. 7, 479(1975).) !\Comment: WARNING 
C4H8-1+IC3H7O2<=>C4H71-3+IC3H7O2H                 +1.40000000E+012 +0.00000000E+000 +1.49000000E+004 !\Author: WARNING !\Ref: IN ARAMCO(ALLARA, D. L. AND EDELSON, D., INT. J. CHEM. KINET. 7, 479(1975).) !\Comment: WARNING 
C4H8-1+PC4H9O2<=>C4H71-3+PC4H9O2H                 +1.40000000E+012 +0.00000000E+000 +1.49000000E+004 !\Author: WARNING !\Ref: IN ARAMCO(ALLARA, D. L. AND EDELSON, D., INT. J. CHEM. KINET. 7, 479(1975).) !\Comment: WARNING 
C4H8-1+SC4H9O2<=>C4H71-3+SC4H9O2H                 +1.40000000E+012 +0.00000000E+000 +1.49000000E+004 !\Author: WARNING !\Ref: IN ARAMCO(ALLARA, D. L. AND EDELSON, D., INT. J. CHEM. KINET. 7, 479(1975).) !\Comment: WARNING 
C4H8-1+IC4H9O2<=>C4H71-3+IC4H9O2H                 +1.40000000E+012 +0.00000000E+000 +1.49000000E+004 !\Author: WARNING !\Ref: IN ARAMCO(WESTBROOK ESTIMATE) !\Comment: WARNING 
C4H8-1+TC4H9O2<=>C4H71-3+TC4H9O2H                 +1.40000000E+012 +0.00000000E+000 +1.49000000E+004 !\Author: WARNING !\Ref: IN ARAMCO(WESTBROOK ESTIMATE) !\Comment: WARNING 
C4H8-1+H<=>C4H71-4+H2                              1.23E+05           2.71E+00         6.94E+03!\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
C4H8-1+O<=>C4H71-4+OH                             +1.13000000E+014 +0.00000000E+000 +7.85000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C4H10+O<=>PC4H9+OH !\Comment: WARNING 
C4H8-1+CH3O2<=>C4H71-4+CH3O2H                     +2.38000000E+003 +2.55000000E+000 +1.64900000E+004 !\Author: WARNING !\Ref: IN ARAMCO(TSANG '91) !\Comment: WARNING 
C4H8-1+CH3O<=>C4H71-4+CH3OH                       +2.17000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: WARNING !\Ref: IN ARAMCO(TSANG '91) !\Comment: WARNING 
C4H8-1+CH3<=>C4H71-1+CH4                          +7.19000000E+002 +2.93800000E+000 +1.39130000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H8-1+CH3<=>C4H71-2+CH4                          +8.15000000E+005 +1.87000000E+000 +1.37900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H8-1+CH3<=>C4H71-3+CH4                          +1.69400000E+002 +3.12000000E+000 +5.78000000E+003 !\Author: SD !\Ref: WANG, KUN, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.9(2015) !\Comment: WARNING 
C4H8-1+CH3<=>C4H71-4+CH4                          +5.40000000E+002 +3.01000000E+000 +1.08000000E+004 !\Author: WARNING !\Ref: IN ARAMCO(TSANG '91) !\Comment: WARNING 
C4H8-1+HO2<=>C4H71-1+H2O2                         +9.57000000E+002 +3.05900000E+000 +2.07986000E+004 !\Author: WARNING !\Ref: ANALOGY WITH C3H6+HO2 !\Comment: WARNING 
C4H8-1+HO2<=>C4H71-2+H2O2                         +1.56000000E+004 +2.82000000E+000 +2.44279000E+004 !\Author: WARNING !\Ref: ANALOGY WITH C3H6+HO2 !\Comment: WARNING 
C4H8-1+HO2<=>C4H71-3+H2O2                         +7.82000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: WARNING !\Ref: JUDIT ZADOR,STEPHEN J. KLIPPENSTEIN,AND JAMES A. MILLER J. PHYS. CHEM. A 2011, 115, 10218 C10225 !\Comment: *2 
C4H8-1+HO2<=>C4H71-4+H2O2                         +2.04000000E+001 +3.59000000E+000 +1.71600000E+004 !\Author: WARNING !\Ref: J. AGUILERA-IPARRAGUIRRE, H. J. CURRAN, W. KLOPPER, J. M. SIMMIE, J. PHYS. CHEM. A, 112, 2008, 7047-7054 !\Comment: WARNING 
C4H8-1+O2<=>C4H71-1+HO2                           +2.00000000E+013 +0.00000000E+000 +6.22700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H8-1+O2<=>C4H71-2+HO2                           +1.00000000E+013 +0.00000000E+000 +5.87700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H8-1+O2<=>C4H71-3+HO2                           +4.88000000E+001 +3.48000000E+000 +3.48000000E+004 !\Author: SD !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C4H8-1+O2<=>C4H71-4+HO2                           +2.10000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H8-1+OH<=>C4H71-1+H2O                           +6.93000000E+006 +1.92000000E+000 +4.96204000E+003 !\Author: WARNING !\Ref: SUBITH S. VASU ET AL. J. PHYS. CHEM. A 2011, 115, 2549 C2556 !\Comment: WARNING 
C4H8-1+OH<=>C4H71-2+H2O                           +3.00000000E+006 +1.97000000E+000 +2.84766000E+003 !\Author: WARNING !\Ref: SUBITH S. VASU ET AL. J. PHYS. CHEM. A 2011, 115, 2549 C2556 !\Comment: WARNING 
!DONG 220619!C4H8-1+OH<=>C4H71-3+H2O                           +1.61600000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: WARNING !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: WARNING 
C4H8-1+OH<=>C4H71-3+H2O                           +1.21200000E+006 +2.20000000E+000 -4.37200000E+002 !A*0.6 \Author: WARNING !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: WARNING 

C4H8-1+OH<=>C4H71-4+H2O                           +1.36600000E+007 +1.81300000E+000 +8.68400000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!----------------------------------------------------------------------------------------------------------------------------------
!\REACTIONCLASS: RADICAL_ADDITIONH
!___________________________________________________________________________________________________________ 
C4H8-1+H<=>C2H4+C2H5                                    4.15E-07        6.16    5059.0!\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT 
  PLOG/1.000E-02    2.32E+10        0.96    3915.0/                             ! fit btw. 298 and 2000 K with MAE of 2.6%, 6.1%
  PLOG/1.000E-01    3.93E+13        0.05    6166.0/                             ! fit btw. 298 and 2000 K with MAE of 4.5%, 8.8%
  PLOG/1.000E+00    3.92E+15       -0.48    8451.0/                             ! fit btw. 298 and 2000 K with MAE of 6.9%, 32.8%
  PLOG/1.000E+01    1.78E+13        0.29    9313.0/                             ! fit btw. 298 and 2000 K with MAE of 22.9%, 76.4%
  PLOG/1.000E+02    1.84E+05        2.72    8013.0/                             ! fit btw. 298 and 2000 K with MAE of 38.6%, 105.5%
  PLOG/1.000E+03    4.15E-07        6.16    5059.0/                             ! fit btw. 298 and 2000 K with MAE of 33.2%, 89.6%
C4H8-1+H<=>C3H6+CH3                                    9.94E-08        6.42    3681.0!\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
  PLOG/1.000E-02    2.28E+12        0.46    3359.0/                             ! fit btw. 298 and 2000 K with MAE of 3.3%, 7.5%
  PLOG/1.000E-01    3.88E+15       -0.45    5760.0/                             ! fit btw. 298 and 2000 K with MAE of 4.4%, 8.6%
  PLOG/1.000E+00    6.53E+16       -0.74    7829.0/                             ! fit btw. 298 and 2000 K with MAE of 9.5%, 44.7%
  PLOG/1.000E+01    2.41E+13        0.35    8291.0/                             ! fit btw. 298 and 2000 K with MAE of 27.5%, 85.7%
  PLOG/1.000E+02    4.03E+04        3.00    6667.0/                             ! fit btw. 298 and 2000 K with MAE of 41.0%, 111.6%
  PLOG/1.000E+03    9.94E-08        6.42    3681.0/                             ! fit btw. 298 and 2000 K with MAE of 35.3%, 85.6%
C4H8-1+H<=>PC4H9                                    7.72E+13       -0.22    4366.0!\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
  PLOG/1.000E-02    1.15E+49      -12.60    10880.0/                            ! fit btw. 298 and 900 K with MAE of 6.5%, 14.9%
  PLOG/1.000E-01    3.38E+45      -10.98    11250.0/                            ! fit btw. 298 and 1000 K with MAE of 11.1%, 26.6%
  PLOG/1.000E+00    4.47E+36       -7.80    9837.0/                             ! fit btw. 298 and 1100 K with MAE of 16.5%, 37.4%
  PLOG/1.000E+01    6.49E+25       -4.15    7380.0/                             ! fit btw. 298 and 1200 K with MAE of 17.6%, 37.5%
  PLOG/1.000E+02    2.90E+18       -1.71    5571.0/                             ! fit btw. 298 and 1400 K with MAE of 16.4%, 40.3%
  PLOG/1.000E+03    7.72E+13       -0.22    4366.0/                             ! fit btw. 298 and 1700 K with MAE of 13.5%, 37.0%
C4H8-1+H<=>SC4H9                                    1.33E+15       -0.49    3376.0!\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
  PLOG/1.000E-02    1.65E+51      -13.03    10500.0/                            ! fit btw. 298 and 1000 K with MAE of 8.8%, 20.9%
  PLOG/1.000E-01    1.07E+44      -10.28    9778.0/                             ! fit btw. 298 and 1000 K with MAE of 12.0%, 28.0%
  PLOG/1.000E+00    3.11E+37       -7.89    8912.0/                             ! fit btw. 298 and 1200 K with MAE of 19.7%, 44.6%
  PLOG/1.000E+01    8.84E+26       -4.36    6435.0/                             ! fit btw. 298 and 1300 K with MAE of 20.7%, 45.6%
  PLOG/1.000E+02    5.30E+19       -1.99    4612.0/                             ! fit btw. 298 and 1500 K with MAE of 18.5%, 47.5%
  PLOG/1.000E+03    1.33E+15       -0.49    3376.0/                             ! fit btw. 298 and 1800 K with MAE of 15.3%, 42.5%
PC4H9<=>SC4H9                                   4.40E-05        4.91    26640.0!\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
  PLOG/1.000E-02    3.47E+25       -5.98    30380.0/                            ! fit btw. 298 and 900 K with MAE of 21.7%, 58.9%
  PLOG/1.000E-01    2.52E+18       -3.22    30020.0/                            ! fit btw. 298 and 1000 K with MAE of 37.8%, 120.2%
  PLOG/1.000E+00    7.41E+09       -0.11    28960.0/                            ! fit btw. 298 and 1100 K with MAE of 54.5%, 185.4%
  PLOG/1.000E+01    9.64E-01        3.30    27000.0/                            ! fit btw. 298 and 1200 K with MAE of 61.4%, 208.2%
  PLOG/1.000E+02    1.38E-04        4.66    26420.0/                            ! fit btw. 298 and 1400 K with MAE of 65.4%, 228.1%
  PLOG/1.000E+03    4.40E-05        4.91    26640.0/                            ! fit btw. 298 and 1700 K with MAE of 66.3%, 247.5%
C2H4+C2H5<=>C4H8-2+H                                   1.99E-23       10.37    21010.0!\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
  PLOG/1.000E-02    1.64E-03        3.99    14370.0/                            ! fit btw. 298 and 2000 K with MAE of 2.0%, 4.7%
  PLOG/1.000E-01    1.47E+03        2.30    18330.0/                            ! fit btw. 298 and 2000 K with MAE of 4.8%, 10.4%
  PLOG/1.000E+00    4.08E+08        0.81    23050.0/                            ! fit btw. 298 and 2000 K with MAE of 7.1%, 32.1%
  PLOG/1.000E+01    1.04E+08        1.13    26140.0/                            ! fit btw. 298 and 2000 K with MAE of 29.3%, 129.8%
  PLOG/1.000E+02    9.71E-04        4.52    25410.0/                            ! fit btw. 298 and 2000 K with MAE of 65.1%, 229.9%
  PLOG/1.000E+03    1.99E-23       10.37    21010.0/                            ! fit btw. 298 and 2000 K with MAE of 74.1%, 218.4%
C4H8-2+H<=>C3H6+CH3                                  3.24E-08        6.58    4632.0  !\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
  PLOG/1.000E-02    2.01E+14       -0.10    5046.0/                             ! fit btw. 298 and 2000 K with MAE of 5.0%, 10.3%  
  PLOG/1.000E-01    2.22E+17       -0.94    7540.0/                             ! fit btw. 298 and 2000 K with MAE of 5.0%, 12.8%  
  PLOG/1.000E+00    5.78E+17       -0.99    9363.0/                             ! fit btw. 298 and 2000 K with MAE of 12.6%, 56.0%  
  PLOG/1.000E+01    3.05E+13        0.35    9513.0/                             ! fit btw. 298 and 2000 K with MAE of 31.3%, 97.6%  
  PLOG/1.000E+02    1.47E+04        3.16    7666.0/                             ! fit btw. 298 and 2000 K with MAE of 43.2%, 116.9%  
  PLOG/1.000E+03    3.24E-08        6.58    4632.0/                             ! fit btw. 298 and 2000 K with MAE of 35.8%, 86.1%  
PC4H9<=>C4H8-2+H                                   2.82E-09        6.23    38970.0!\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
  PLOG/1.000E-02    1.70E+44      -11.82    43900.0/                            ! fit btw. 298 and 900 K with MAE of 6.7%, 16.5%
  PLOG/1.000E-01    3.49E+42      -10.65    46290.0/                            ! fit btw. 298 and 1000 K with MAE of 12.5%, 32.8%
  PLOG/1.000E+00    4.22E+33       -7.31    46590.0/                            ! fit btw. 298 and 1100 K with MAE of 23.5%, 65.2%
  PLOG/1.000E+01    1.36E+17       -1.80    44070.0/                            ! fit btw. 298 and 1200 K with MAE of 35.4%, 96.2%
  PLOG/1.000E+02    1.16E+02        3.01    41160.0/                            ! fit btw. 298 and 1400 K with MAE of 45.4%, 112.3%
  PLOG/1.000E+03    2.82E-09        6.23    38970.0/                            ! fit btw. 298 and 1700 K with MAE of 49.9%, 148.4%
SC4H9<=>C4H8-2+H                                  1.14E+13       -0.11    36610.0!\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
  PLOG/1.000E-02    4.71E+46      -11.65    43560.0/                            ! fit btw. 298 and 1000 K with MAE of 9.6%, 23.6%
  PLOG/1.000E-01    2.32E+38       -8.64    42340.0/                            ! fit btw. 298 and 1000 K with MAE of 13.0%, 30.7%
  PLOG/1.000E+00    1.12E+32       -6.38    41340.0/                            ! fit btw. 298 and 1200 K with MAE of 19.4%, 44.0%
  PLOG/1.000E+01    5.45E+22       -3.28    39100.0/                            ! fit btw. 298 and 1300 K with MAE of 19.8%, 42.3%
  PLOG/1.000E+02    5.06E+16       -1.30    37580.0/                            ! fit btw. 298 and 1500 K with MAE of 17.6%, 43.3%
  PLOG/1.000E+03    1.14E+13       -0.11    36610.0/                            ! fit btw. 298 and 1800 K with MAE of 15.0%, 39.5%
C4H8-1+H<=>C4H8-2+H                                   4.95E-11        7.09    5008.0!\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
  PLOG/1.000E-02    9.20E+05        2.03    3679.0/                             ! fit btw. 298 and 2000 K with MAE of 0.8%, 1.6%
  PLOG/1.000E-01    1.82E+09        1.10    5963.0/                             ! fit btw. 298 and 2000 K with MAE of 2.6%, 5.8%
  PLOG/1.000E+00    2.11E+11        0.56    8275.0/                             ! fit btw. 298 and 2000 K with MAE of 7.3%, 37.4%
  PLOG/1.000E+01    1.04E+09        1.32    9148.0/                             ! fit btw. 298 and 2000 K with MAE of 24.6%, 83.0%
  PLOG/1.000E+02    1.36E+01        3.71    7882.0/                             ! fit btw. 298 and 2000 K with MAE of 40.5%, 113.7%
  PLOG/1.000E+03    4.95E-11        7.09    5008.0/                             ! fit btw. 298 and 2000 K with MAE of 37.7%, 93.7%
PC4H9<=>C2H4+C2H5                                   2.96E+15       -0.55    31120.0!\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
  PLOG/1.000E-02    5.69E+44      -10.46    37620.0/                            ! fit btw. 298 and 900 K with MAE of 8.8%, 21.0%
  PLOG/1.000E-01    1.44E+38       -8.12    36540.0/                            ! fit btw. 298 and 1000 K with MAE of 12.9%, 30.3%
  PLOG/1.000E+00    1.53E+30       -5.41    34820.0/                            ! fit btw. 298 and 1100 K with MAE of 15.2%, 31.6%
  PLOG/1.000E+01    3.83E+22       -2.89    32950.0/                            ! fit btw. 298 and 1200 K with MAE of 14.1%, 30.0%
  PLOG/1.000E+02    1.35E+18       -1.42    31820.0/                            ! fit btw. 298 and 1400 K with MAE of 12.2%, 29.4%
  PLOG/1.000E+03    2.96E+15       -0.55    31120.0/                            ! fit btw. 298 and 1700 K with MAE of 10.1%, 26.0%
PC4H9<=>C3H6+CH3                                   4.95E-08        6.19    36750.0!\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
  PLOG/1.000E-02    5.03E+44      -11.30    42090.0/                            ! fit btw. 298 and 900 K with MAE of 8.5%, 21.7%
  PLOG/1.000E-01    5.01E+41       -9.80    44120.0/                            ! fit btw. 298 and 1000 K with MAE of 15.4%, 42.3%
  PLOG/1.000E+00    6.99E+31       -6.26    43940.0/                            ! fit btw. 298 and 1100 K with MAE of 27.3%, 78.8%
  PLOG/1.000E+01    3.61E+15       -0.89    41240.0/                            ! fit btw. 298 and 1200 K with MAE of 38.2%, 106.6%
  PLOG/1.000E+02    7.38E+01        3.44    38580.0/                            ! fit btw. 298 and 1400 K with MAE of 46.9%, 117.3%
  PLOG/1.000E+03    4.95E-08        6.19    36750.0/                            ! fit btw. 298 and 1700 K with MAE of 50.8%, 150.8%
SC4H9<=>C2H4+C2H5                                   3.22E-08        6.25    39760.0!\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
  PLOG/1.000E-02    3.08E+43      -10.94    44800.0/                            ! fit btw. 298 and 1000 K with MAE of 7.9%, 20.7%
  PLOG/1.000E-01    9.34E+40       -9.57    46960.0/                            ! fit btw. 298 and 1000 K with MAE of 15.6%, 41.4%
  PLOG/1.000E+00    2.14E+32       -6.41    47160.0/                            ! fit btw. 298 and 1200 K with MAE of 25.9%, 81.2%
  PLOG/1.000E+01    2.27E+16       -1.14    44560.0/                            ! fit btw. 298 and 1300 K with MAE of 36.7%, 110.6%
  PLOG/1.000E+02    2.04E+02        3.31    41800.0/                            ! fit btw. 298 and 1500 K with MAE of 45.6%, 113.7%
  PLOG/1.000E+03    3.22E-08        6.25    39760.0/                            ! fit btw. 298 and 1800 K with MAE of 50.5%, 170.2%
SC4H9<=>C3H6+CH3                                   1.11E+14       -0.13    32180.0!\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
  PLOG/1.000E-02    1.16E+43       -9.90    38800.0/                            ! fit btw. 298 and 1000 K with MAE of 12.1%, 29.7%
  PLOG/1.000E-01    2.31E+33       -6.58    36770.0/                            ! fit btw. 298 and 1000 K with MAE of 13.9%, 31.1%
  PLOG/1.000E+00    2.77E+28       -4.86    35860.0/                            ! fit btw. 298 and 1200 K with MAE of 18.7%, 38.3%
  PLOG/1.000E+01    1.07E+21       -2.42    33990.0/                            ! fit btw. 298 and 1300 K with MAE of 17.3%, 38.0%
  PLOG/1.000E+02    4.24E+16       -0.97    32860.0/                            ! fit btw. 298 and 1500 K with MAE of 15.0%, 37.0%
  PLOG/1.000E+03    1.11E+14       -0.13    32180.0/                            ! fit btw. 298 and 1800 K with MAE of 12.8%, 33.3%
C2H4+C2H5<=>C3H6+CH3                                6.33E-21        9.94    19730.0!\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
  PLOG/1.000E-02    2.72E+03        2.47    14060.0/                            ! fit btw. 298 and 2000 K with MAE of 2.6%, 7.1%
  PLOG/1.000E-01    5.34E+09        0.70    18450.0/                            ! fit btw. 298 and 2000 K with MAE of 6.1%, 11.8%
  PLOG/1.000E+00    2.17E+14       -0.54    23030.0/                            ! fit btw. 298 and 2000 K with MAE of 9.2%, 45.8%
  PLOG/1.000E+01    1.43E+12        0.25    25580.0/                            ! fit btw. 298 and 2000 K with MAE of 35.0%, 150.6%
  PLOG/1.000E+02    4.57E-01        4.07    24270.0/                            ! fit btw. 298 and 2000 K with MAE of 69.1%, 244.4%
  PLOG/1.000E+03    6.33E-21        9.94    19730.0/                            ! fit btw. 298 and 2000 K with MAE of 75.7%, 217.3%  
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONO
!___________________________________________________________________________________________________________ 
C4H8-1+O<=>NC3H7+HCO                              +7.45000000E+006 +1.88000000E+000 +1.83000000E+002 !\Author: WARNING !\Ref: ANALOGY WITH C3H6+O !\Comment: WARNING 
C4H8-1+O=>CH2CO+C2H5+H                            +3.05000000E+006 +1.88000000E+000 +1.83000000E+002 !\Author: WARNING !\Ref: ANALOGY WITH C3H6+O !\Comment: WARNING 
C4H8-1+O=>C2H5CHCO+H+H                            +3.05000000E+006 +1.88000000E+000 +1.83000000E+002 !\Author: WARNING !\Ref: ANALOGY WITH C3H6+O !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONOH
!___________________________________________________________________________________________________________ 
C4H8-1+OH<=>PC4H8OH-2                             +5.58000000E+018 -2.03000000E+000 -4.00000000E-001 !\Author: WARNING !\Ref: ANTONOV, IVAN O., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A119.28(2015) !\Comment: WARNING 
PLOG /                           +9.87000000E-004 +1.65000000E+039 -9.21000000E+000 +3.56500000E+003 /
PLOG /                           +9.87000000E-004 +5.58000000E-040 +1.56000000E+001 -1.04000000E+004 /
PLOG /                           +9.87000000E-003 +2.55000000E+063 -1.66700000E+001 +1.26000000E+004 /
PLOG /                           +9.87000000E-003 +2.57000000E+026 -4.90000000E+000 +8.77900000E+002 /
PLOG /                           +9.87000000E-002 +2.90000000E+072 -1.90200000E+001 +1.89400000E+004 /
PLOG /                           +9.87000000E-002 +2.33000000E+023 -3.72000000E+000 +5.66500000E+002 /
PLOG /                           +9.87000000E-001 +2.30000000E+026 -4.36000000E+000 +3.21500000E+003 /
PLOG /                           +9.87000000E-001 +4.47000000E+026 -5.01000000E+000 +8.81100000E+002 /
PLOG /                           +9.87000000E+000 +1.24000000E+025 -4.41000000E+000 +7.22000000E+002 /
PLOG /                           +9.87000000E+000 +6.87000000E+020 -2.50000000E+000 +2.16000000E+003 /
PLOG /                           +9.87000000E+001 +5.58000000E+018 -2.03000000E+000 -4.00000000E-001 /
PLOG /                           +9.87000000E+001 +1.48000000E+021 -2.39000000E+000 +5.54300000E+003 /
C4H8-1+OH<=>SC4H8OH-1                             +1.86000000E+018 -2.03000000E+000 -4.00000000E-001 !\Author: WARNING !\Ref: ANTONOV, IVAN O., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A119.28(2015) !\Comment: WARNING 
PLOG /                           +9.87000000E-004 +5.50000000E+038 -9.21000000E+000 +3.56500000E+003 /
PLOG /                           +9.87000000E-004 +1.86000000E-040 +1.56000000E+001 -1.04000000E+004 /
PLOG /                           +9.87000000E-003 +8.50000000E+062 -1.66700000E+001 +1.26000000E+004 /
PLOG /                           +9.87000000E-003 +8.55000000E+025 -4.90000000E+000 +8.77900000E+002 /
PLOG /                           +9.87000000E-002 +9.65000000E+071 -1.90200000E+001 +1.89400000E+004 /
PLOG /                           +9.87000000E-002 +7.75000000E+022 -3.72000000E+000 +5.66500000E+002 /
PLOG /                           +9.87000000E-001 +7.65000000E+025 -4.36000000E+000 +3.21500000E+003 /
PLOG /                           +9.87000000E-001 +1.49000000E+026 -5.01000000E+000 +8.81100000E+002 /
PLOG /                           +9.87000000E+000 +4.12000000E+024 -4.41000000E+000 +7.22000000E+002 /
PLOG /                           +9.87000000E+000 +2.29000000E+020 -2.50000000E+000 +2.16000000E+003 /
PLOG /                           +9.87000000E+001 +1.86000000E+018 -2.03000000E+000 -4.00000000E-001 /
PLOG /                           +9.87000000E+001 +4.92000000E+020 -2.39000000E+000 +5.54300000E+003 /


!DONG 220624!C4H8-1+OH<=>PC4H8OH-2                          +2.872E+48	-10.23	23772 !\Author: SD !\Ref: ZADOR PHYS. CHEM. CHEM. PHYS., 2009, 11, 11040-1053 !\Comment: WARNING 
!DONG 220624!PLOG/	0.0013	4.607E+78	-20.7	32402	/
!DONG 220624!PLOG/	0.01	5.474E+77	-20.0	33874	/
!DONG 220624!PLOG/	0.013	2.123E+76	-19.58	32874	/
!DONG 220624!PLOG/	0.025	7.353E+73	-18.79	31361	/
!DONG 220624!PLOG/	0.10	2.069E+68	-17.01	27909	/
!DONG 220624!PLOG/	0.1315	1.445E+67	-16.64	27162	/
!DONG 220624!PLOG/	1.00	3.893E+59	-14.17	23079	/
!DONG 220624!PLOG/	10.0	1.509E+54	-12.23	22976	/
!DONG 220624!PLOG/	100.0	2.872E+48	-10.23	23772	/
!DONG 220624!DUP					
!DONG 220624!C4H8-1+OH<=>PC4H8OH-2                          +4.589E+32	-6.31	6088 !\Author: SD !\Ref: ZADOR PHYS. CHEM. CHEM. PHYS., 2009, 11, 11040-1053 !\Comment: WARNING 
!DONG 220624!PLOG/	0.0013	1.283E+60	-15.84	11594	/
!DONG 220624!PLOG/	0.01	1.454E+60	-15.51	12898	/
!DONG 220624!PLOG/	0.013	5.573E+59	-15.34	12913	/
!DONG 220624!PLOG/	0.025	5.302E+58	-14.93	12936	/
!DONG 220624!PLOG/	0.10	2.701E+56	-14.04	12945	/
!DONG 220624!PLOG/	0.1315	7.967E+55	-13.85	12887	/
!DONG 220624!PLOG/	1.00	3.098E+50	-12.04	11493	/
!DONG 220624!PLOG/	10.0	1.283E+42	-9.35	8921	/
!DONG 220624!PLOG/	100.0	4.589E+32	-6.31	6088	/
!DONG 220624!DUP					
!DONG 220624!!
!DONG 220624!C4H8-1+OH<=>SC4H8OH-1                          +9.575E+47	-10.23	23772 !\Author: SD !\Ref: ZADOR PHYS. CHEM. CHEM. PHYS., 2009, 11, 11040-1053 !\Comment: WARNING 
!DONG 220624!PLOG/	0.0013	1.536E+78	-20.7	32402	/
!DONG 220624!PLOG/	0.01	1.825E+77	-20.0	33874	/
!DONG 220624!PLOG/	0.013	7.076E+75	-19.58	32874	/
!DONG 220624!PLOG/	0.025	2.451E+73	-18.79	31361	/
!DONG 220624!PLOG/	0.10	6.895E+67	-17.01	27909	/
!DONG 220624!PLOG/	0.1315	4.818E+66	-16.64	27162	/
!DONG 220624!PLOG/	1.00	1.298E+59	-14.17	23079	/
!DONG 220624!PLOG/	10.0	5.028E+53	-12.23	22976	/
!DONG 220624!PLOG/	100.0	9.575E+47	-10.23	23772	/
!DONG 220624!DUP					
!DONG 220624!C4H8-1+OH<=>SC4H8OH-1                          +1.530E+32	-6.31	6088 !\Author: SD !\Ref: ZADOR PHYS. CHEM. CHEM. PHYS., 2009, 11, 11040-1053 !\Comment: WARNING 
!DONG 220624!PLOG/	0.0013	4.276E+59	-15.84	11594	/
!DONG 220624!PLOG/	0.01	4.848E+59	-15.51	12898	/
!DONG 220624!PLOG/	0.013	1.858E+59	-15.34	12913	/
!DONG 220624!PLOG/	0.025	1.767E+58	-14.93	12936	/
!DONG 220624!PLOG/	0.10	9.003E+55	-14.04	12945	/
!DONG 220624!PLOG/	0.1315	2.656E+55	-13.85	12887	/
!DONG 220624!PLOG/	1.00	1.033E+50	-12.04	11493	/
!DONG 220624!PLOG/	10.0	4.276E+41	-9.35	8921	/
!DONG 220624!PLOG/	100.0	1.530E+32	-6.31	6088	/
!DONG 220624!DUP

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>RO2
!___________________________________________________________________________________________________________ 
C4H71-3OOH+O2<=>C4H71-3O2+HO2                     +9.00000000E+013 +0.00000000E+000 +4.02000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H72-1OOH+O2<=>C4H72-1O2+HO2                     +9.00000000E+013 +0.00000000E+000 +4.02000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!===========================================================================================================
!\SUBSPECIES: C4H71-1
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C4H71-1=C4H61-3+H                                   3.61E-01        3.74    35980.0
  PLOG/1.000E-02    7.76E+65      -17.58    51330.0/
  PLOG/1.000E-02    1.57E+31       -7.21    36580.0/                            ! fit btw. 298 and 1100 K with MAE of 0.7%, 1.2%
  PLOG/1.000E-01    1.63E+38       -8.72    42900.0/
  PLOG/1.000E-01    2.47E+29       -9.68    27310.0/                            ! fit btw. 298 and 1200 K with MAE of 14.0%, 31.0%
  PLOG/1.000E+00    1.52E+57      -13.98    55430.0/
  PLOG/1.000E+00    2.81E+17       -2.53    36250.0/                            ! fit btw. 298 and 1300 K with MAE of 1.7%, 3.9%
  PLOG/1.000E+01    6.10E+48      -11.04    56360.0/
  PLOG/1.000E+01    1.01E+09        0.12    35030.0/                            ! fit btw. 298 and 1400 K with MAE of 3.5%, 9.7%
  PLOG/1.000E+02    7.91E+02        2.80    38250.0/
  PLOG/1.000E+02    2.42E-04        1.05    22360.0/                            ! fit btw. 298 and 1600 K with MAE of 37.4%, 138.0%

C4H71-1=C2H4+C2H3                                   4.59E+01        3.01    44450.0
  PLOG/1.000E-02    4.61E+73      -20.43    56280.0/
  PLOG/1.000E-02    1.69E+41      -10.56    42610.0/                            ! fit btw. 298 and 1100 K with MAE of 0.6%, 1.1%
  PLOG/1.000E-01    2.52E+71      -19.16    59480.0/
  PLOG/1.000E-01    2.79E+37       -8.96    44750.0/                            ! fit btw. 298 and 1200 K with MAE of 0.7%, 1.5%
  PLOG/1.000E+00    4.00E+63      -16.19    61630.0/
  PLOG/1.000E+00    5.39E+27       -5.69    44970.0/                            ! fit btw. 298 and 1300 K with MAE of 1.2%, 2.6%
  PLOG/1.000E+01    1.26E+54      -12.81    63950.0/
  PLOG/1.000E+01    1.82E+17       -2.49    44160.0/                            ! fit btw. 298 and 1400 K with MAE of 2.6%, 7.7%
  PLOG/1.000E+02    1.00E+05        2.08    46810.0/
  PLOG/1.000E+02    5.63E-02        0.20    30760.0/                            ! fit btw. 298 and 1600 K with MAE of 42.1%, 159.1%


C4H71-1=C3H4-P+CH3                                   4.93E+12       -0.77    50710.0
  PLOG/1.000E-02    3.10E+36       -9.31    56050.0/
  PLOG/1.000E-02    6.52E+40      -11.53    44360.0/                            ! fit btw. 298 and 1100 K with MAE of 24.7%, 63.1%
  PLOG/1.000E-01    2.51E+118      -36.62    66700.0/
  PLOG/1.000E-01    2.41E+147      -41.84    108600.0/                          ! fit btw. 298 and 1200 K with MAE of 28.9%, 72.8%
  PLOG/1.000E+00    1.94E+65      -17.52    63700.0/
  PLOG/1.000E+00    2.41E+31       -7.47    48210.0/                            ! fit btw. 298 and 1300 K with MAE of 1.1%, 2.5%
  PLOG/1.000E+01    8.01E+54      -13.73    65110.0/
  PLOG/1.000E+01    2.24E+24       -5.14    48930.0/                            ! fit btw. 298 and 1400 K with MAE of 1.8%, 4.2%
  PLOG/1.000E+02    1.02E+16       -1.70    52980.0/
  PLOG/1.000E+02    2.95E+09       -3.56    36690.0/                            ! fit btw. 298 and 1600 K with MAE of 35.4%, 120.0%

C4H71-1=C3H4-A+CH3                                   7.50E+07        0.67    50490.0
  PLOG/1.000E-02    1.11E+109      -32.27    73100.0/
  PLOG/1.000E-02    7.53E+41      -11.64    45620.0/                            ! fit btw. 298 and 1100 K with MAE of 2.3%, 5.0%
  PLOG/1.000E-01    2.04E+84      -24.00    67180.0/
  PLOG/1.000E-01    1.51E+39      -10.23    48420.0/                            ! fit btw. 298 and 1200 K with MAE of 1.3%, 3.0%
  PLOG/1.000E+00    1.25E+65      -17.38    64990.0/
  PLOG/1.000E+00    3.63E+31       -7.49    49640.0/                            ! fit btw. 298 and 1300 K with MAE of 1.1%, 2.1%
  PLOG/1.000E+01    4.90E+55      -13.90    67410.0/
  PLOG/1.000E+01    4.04E+22       -4.65    49630.0/                            ! fit btw. 298 and 1400 K with MAE of 2.1%, 5.5%
  PLOG/1.000E+02    1.66E+11       -0.26    52850.0/
  PLOG/1.000E+02    7.62E+04       -2.18    36560.0/                            ! fit btw. 298 and 1600 K with MAE of 39.9%, 145.9%
!DONG 0423!C4H71-1<=>C2H5+C2H2                               +2.85000000E+012 +6.80000000E-001 +3.31782910E+004   !\AUTHOR: !\Ref:YANG CALCULATIONS
C4H71-1<=>C2H5+C2H2                               +1.05000000E+049 -1.02900000E+001 +5.16200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+075 -1.95900000E+001 +5.35400000E+004 /
PLOG /                           +1.00000000E-002 +1.13000000E+043 -9.94000000E+000 +3.96800000E+004 /
PLOG /                           +1.00000000E-001 +9.89000000E+070 -1.79400000E+001 +5.40100000E+004 /
PLOG /                           +1.00000000E-001 +1.17000000E+038 -8.14000000E+000 +3.89200000E+004 /
PLOG /                           +1.00000000E+000 +5.33000000E+062 -1.50200000E+001 +5.29200000E+004 /
PLOG /                           +1.00000000E+000 +2.29000000E+034 -6.84000000E+000 +3.82500000E+004 /
PLOG /                           +1.00000000E+001 +2.91000000E+055 -1.24900000E+001 +5.21400000E+004 /
PLOG /                           +1.00000000E+001 +2.64000000E+031 -5.81000000E+000 +3.77300000E+004 /
PLOG /                           +1.00000000E+002 +1.05000000E+049 -1.02900000E+001 +5.16200000E+004 /
PLOG /                           +1.00000000E+002 +9.18000000E+025 -3.93000000E+000 +3.66200000E+004 /

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+H<=>PRODUCTS

C4H71-1+H=C4H8-1                                   +1.42000000E+014 -6.00000000E-002 +2.40000000E+001 !\Author: HL !\Ref: ANALOGY WITH C3H5-S+H<=>C3H6, WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.82000000E+056 -1.42800000E+001 +1.64070000E+004 /
PLOG /                           +1.00000000E-002 +1.95000000E+045 -1.14000000E+001 +6.30900000E+003 /
PLOG /                           +1.00000000E-001 +1.24000000E+062 -1.52200000E+001 +1.91120000E+004 /
PLOG /                           +1.00000000E-001 +2.65000000E+048 -1.17500000E+001 +7.58400000E+003 /
PLOG /                           +1.00000000E+000 +3.77000000E+060 -1.42400000E+001 +2.06030000E+004 /
PLOG /                           +1.00000000E+000 +4.28000000E+042 -9.54000000E+000 +6.78900000E+003 /
PLOG /                           +1.00000000E+001 +9.10000000E+056 -1.27400000E+001 +2.22840000E+004 /
PLOG /                           +1.00000000E+001 +4.44000000E+034 -6.79000000E+000 +5.17000000E+003 /
PLOG /                           +1.00000000E+002 +6.39000000E+049 -1.03500000E+001 +2.19020000E+004 /
PLOG /                           +1.00000000E+002 +5.11000000E+026 -4.13000000E+000 +3.31300000E+003 /
PLOG /                           +1.00000000E+003 +1.42000000E+014 -6.00000000E-002 +2.40000000E+001 /
PLOG /                           +1.00000000E+003 +4.42000000E+011 +6.50000000E-001 -3.06000000E+002 /
C4H71-1+H<=>C4H71-3+H                             +3.74000000E+028 -3.92000000E+000 +1.85610000E+004 !\Author: HL !\Ref: ANALOGY WITH C3H5-S+H<=>C3H5-A+H, \Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.47000000E+016 -8.40000000E-001 +7.11000000E+002 /
PLOG /                           +1.00000000E-002 +4.53000000E+002 +2.94000000E+000 -4.34200000E+003 /
PLOG /                           +1.00000000E-001 +1.47000000E+021 -2.26000000E+000 +3.18000000E+003 /
PLOG /                           +1.00000000E-001 +3.31000000E+011 +5.90000000E-001 -7.49000000E+002 /
PLOG /                           +1.00000000E+000 +1.75000000E+030 -4.82000000E+000 +1.02840000E+004 /
PLOG /                           +1.00000000E+000 +1.59000000E+013 +1.60000000E-001 +9.63000000E+002 /
PLOG /                           +1.00000000E+001 +7.23000000E+028 -4.17000000E+000 +1.36140000E+004 /
PLOG /                           +1.00000000E+001 +1.24000000E+010 +9.80000000E-001 +8.42000000E+002 /
PLOG /                           +1.00000000E+002 +3.74000000E+028 -3.92000000E+000 +1.85610000E+004 /
PLOG /                           +1.00000000E+002 +1.36000000E+006 +2.06000000E+000 +4.47000000E+002 /
C4H71-1+H=C2H3+C2H5                               +9.72000000E+030 -4.44000000E+000 +2.28340000E+004 !\Author: HL !\Ref: ANALOGY WITH C3H5-T+H<=>C2H3+CH3, WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.43000000E+016 -5.90000000E-001 +4.57300000E+003 /
PLOG /                           +1.00000000E-002 +4.31000000E+013 -1.00000000E-002 +4.35000000E+002 /
PLOG /                           +1.00000000E-001 +1.76000000E+015 -3.14000000E-001 +3.08700000E+003 /
PLOG /                           +1.00000000E-001 +9.21000000E+013 -2.20000000E-001 +7.82000000E+002 /
PLOG /                           +1.00000000E+000 +2.09000000E+022 -2.34000000E+000 +8.15700000E+003 /
PLOG /                           +1.00000000E+000 +9.24000000E+009 +1.12000000E+000 +8.44000000E+002 /
PLOG /                           +1.00000000E+001 +1.76000000E+025 -3.01000000E+000 +1.31770000E+004 /
PLOG /                           +1.00000000E+001 +4.40000000E+008 +1.41000000E+000 +1.35100000E+003 /
PLOG /                           +1.00000000E+002 +9.72000000E+030 -4.44000000E+000 +2.28340000E+004 /
PLOG /                           +1.00000000E+002 +6.46000000E+012 +2.20000000E-001 +5.46900000E+003 /

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>PRODUCTS
!___________________________________________________________________________________________________________ 

C4H71-1+CH3<=>C4H612+CH4                           +1.00000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: HL !\Ref: ANALOGY WITH C3H5-S+CH3<=>C3H4-A+CH4, \Ref: DAGAUT, P. ET AL., CST 71, 111(1990). !\Comment: WARNING 
C4H71-1+CH3=C4H6-1+CH4                             +1.00000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: HL !\Ref: ANALOGY WITH C3H5-S+CH3<=>C3H4-P+CH4, \Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C4H71-1+O<=>C3H6+HCO                               +6.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: HL !\Ref: ANALOGY WITH C3H5-S+O<=>C2H4+HCO, \Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C4H71-1+OH=>C3H6+HCO+H                             +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: HL !\Ref: ANALOGY WITH C3H5-S+OH=>C2H4+HCO+H, \Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C4H71-1+HO2=>C3H6+HCO+OH                           +2.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: HL !\Ref: ANALOGY WITH C3H5-S+HO2=>C2H4+HCO+OH, \Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C4H71-1+HCO<=>C4H8-1+CO                            +9.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: HL !\Ref: ANALOGY WITH C3H5-S+HCO<=>C3H6+CO, \Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 

C4H71-1+O2<=>C4H71-1O2                             +8.10000000E+029 -5.32000000E+000 +6.90900000E+003 !\Author: HL !\Ref: ANALOGY WITH C3H5-S+O2<=>SC3H5OO, \Ref: X. CHEN AND F. GOLDSMITH(2017) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.71000000E+026 -6.57000000E+000 +6.93700000E+003 /
PLOG /                           +1.00000000E-001 +2.51000000E+034 -8.40000000E+000 +4.82800000E+003 /
PLOG /                           +3.16000000E-001 +9.99000000E+037 -9.13000000E+000 +5.55300000E+003 /
PLOG /                           +1.00000000E+000 +1.28000000E+040 -9.39000000E+000 +6.83200000E+003 /
PLOG /                           +3.16000000E+000 +8.20000000E+039 -8.99000000E+000 +7.82900000E+003 /
PLOG /                           +1.00000000E+001 +4.15000000E+037 -8.01000000E+000 +8.14800000E+003 /
PLOG /                           +3.16000000E+001 +8.57000000E+033 -6.68000000E+000 +7.74400000E+003 /
PLOG /                           +1.00000000E+002 +8.10000000E+029 -5.32000000E+000 +6.90900000E+003 /
C4H71-1+O2<=>C2H5CCHO+OH                          +5.11000000E+015 -1.02000000E+000 +1.09700000E+004 !\Author: HL !\Ref: ANALOGY WITH C3H5-S+O2<=>CH3CCHO+OH, \Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.60000000E+008 +8.20000000E-001 +2.14000000E+003 /
PLOG /                           +1.00000000E-001 +5.95000000E+008 +7.90000000E-001 +2.23100000E+003 /
PLOG /                           +3.16000000E-001 +1.09000000E+009 +7.20000000E-001 +2.44500000E+003 /
PLOG /                           +1.00000000E+000 +5.81000000E+009 +5.20000000E-001 +3.04600000E+003 /
PLOG /                           +3.16000000E+000 +1.94000000E+011 +1.00000000E-001 +4.36400000E+003 /
PLOG /                           +1.00000000E+001 +2.94000000E+013 -4.90000000E-001 +6.47700000E+003 /
PLOG /                           +3.16000000E+001 +2.27000000E+015 -9.80000000E-001 +8.91900000E+003 /
PLOG /                           +1.00000000E+002 +5.11000000E+015 -1.02000000E+000 +1.09700000E+004 /
C4H71-1+O2<=>C3H6CHO-1+O                          +3.47000000E+013 -2.40000000E-001 +8.63900000E+003 !\Author: HL !\Ref: ANALOGY WITH C3H5-S+O2<=>CH3CHCHO+O, \Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.84000000E+009 +8.30000000E-001 +1.96300000E+003 /
PLOG /                           +1.00000000E-001 +2.34000000E+009 +8.10000000E-001 +2.04900000E+003 /
PLOG /                           +3.16000000E-001 +4.10000000E+009 +7.40000000E-001 +2.25000000E+003 /
PLOG /                           +1.00000000E+000 +1.91000000E+010 +5.50000000E-001 +2.80700000E+003 /
PLOG /                           +3.16000000E+000 +4.47000000E+011 +1.80000000E-001 +4.01400000E+003 /
PLOG /                           +1.00000000E+001 +2.99000000E+013 -3.10000000E-001 +5.86200000E+003 /
PLOG /                           +3.16000000E+001 +3.85000000E+014 -5.90000000E-001 +7.71300000E+003 /
PLOG /                           +1.00000000E+002 +3.47000000E+013 -2.40000000E-001 +8.63900000E+003 /
C4H71-1+O2<=>C4H6-1+HO2                          +2.77000000E+013 -5.50000000E-001 +1.26600000E+004 !\Author: HL !\Ref: ANALOGY WITH C3H5-S+O2<=>C3H4-P+HO2, \Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.44000000E+006 +1.21000000E+000 +4.63700000E+003 /
PLOG /                           +1.00000000E-001 +6.73000000E+006 +1.19000000E+000 +4.71200000E+003 /
PLOG /                           +3.16000000E-001 +1.08000000E+007 +1.13000000E+000 +4.88100000E+003 /
PLOG /                           +1.00000000E+000 +3.89000000E+007 +9.80000000E-001 +5.34200000E+003 /
PLOG /                           +3.16000000E+000 +6.41000000E+008 +6.40000000E-001 +6.39100000E+003 /
PLOG /                           +1.00000000E+001 +5.50000000E+010 +1.20000000E-001 +8.21800000E+003 /
PLOG /                           +3.16000000E+001 +4.85000000E+012 -3.90000000E-001 +1.05300000E+004 /
PLOG /                           +1.00000000E+002 +2.77000000E+013 -5.50000000E-001 +1.26600000E+004 /
C4H71-1+O2<=>C2H5CHCO+OH                         +7.33000000E+006 +1.42000000E+000 +1.31000000E+004 !\Author: HL !\Ref: ANALOGY WITH C3H5-S+O2<=>CH3CHCO+OH, \Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.61000000E+001 +2.92000000E+000 +6.82200000E+003 /
PLOG /                           +1.00000000E-001 +1.81000000E+001 +2.91000000E+000 +6.86300000E+003 /
PLOG /                           +3.16000000E-001 +2.38000000E+001 +2.88000000E+000 +6.95900000E+003 /
PLOG /                           +1.00000000E+000 +5.27000000E+001 +2.78000000E+000 +7.23800000E+003 /
PLOG /                           +3.16000000E+000 +3.77000000E+002 +2.55000000E+000 +7.94800000E+003 /
PLOG /                           +1.00000000E+001 +1.46000000E+004 +2.11000000E+000 +9.35600000E+003 /
PLOG /                           +3.16000000E+001 +1.10000000E+006 +1.61000000E+000 +1.13300000E+004 /
PLOG /                           +1.00000000E+002 +7.33000000E+006 +1.42000000E+000 +1.31000000E+004 /
C4H71-1+O2<=>SC3H5CHO+OH                            +8.16000000E+016 -1.34000000E+000 +7.00500000E+003 !\Author: HL !\Ref: ANALOGY WITH C3H5-S+O2<=>C2H3CHO+OH, \Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.51000000E+014 -8.50000000E-001 +1.31900000E+003 /
PLOG /                           +1.00000000E-001 +4.73000000E+014 -8.50000000E-001 +1.33700000E+003 /
PLOG /                           +3.16000000E-001 +6.20000000E+014 -8.90000000E-001 +1.43000000E+003 /
PLOG /                           +1.00000000E+000 +2.46000000E+015 -1.05000000E+000 +1.91200000E+003 /
PLOG /                           +3.16000000E+000 +7.29000000E+016 -1.46000000E+000 +3.19400000E+003 /
PLOG /                           +1.00000000E+001 +4.24000000E+018 -1.93000000E+000 +5.09400000E+003 /
PLOG /                           +3.16000000E+001 +1.18000000E+019 -2.01000000E+000 +6.66600000E+003 /
PLOG /                           +1.00000000E+002 +8.16000000E+016 -1.34000000E+000 +7.00500000E+003 /
C4H71-1+O2<=>C2H5COCHO+H                          +4.68000000E+012 -6.40000000E-001 +7.36400000E+003 !\Author: HL !\Ref: ANALOGY WITH C3H5-S+O2<=>CH3COCHO+H, \Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.83000000E+008 +3.60000000E-001 +2.59000000E+002 /
PLOG /                           +1.00000000E-001 +4.18000000E+008 +3.50000000E-001 +2.91300000E+002 /
PLOG /                           +3.16000000E-001 +5.81000000E+008 +3.10000000E-001 +4.09800000E+002 /
PLOG /                           +1.00000000E+000 +2.39000000E+009 +1.40000000E-001 +9.14800000E+002 /
PLOG /                           +3.16000000E+000 +7.40000000E+010 -2.70000000E-001 +2.22000000E+003 /
PLOG /                           +1.00000000E+001 +5.24000000E+012 -7.70000000E-001 +4.17500000E+003 /
PLOG /                           +3.16000000E+001 +5.09000000E+013 -1.00000000E+000 +6.12700000E+003 /
PLOG /                           +1.00000000E+002 +4.68000000E+012 -6.40000000E-001 +7.36400000E+003 /
C4H71-1+O2<=>CHOCHO+C2H5                          +7.49000000E+015 -1.17000000E+000 +7.57600000E+003 !\Author: HL !\Ref: ANALOGY WITH C3H5-S+O2<=>CH3+CHOCHO, \Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.82000000E+012 -3.00000000E-001 +7.45200000E+002 /
PLOG /                           +1.00000000E-001 +1.93000000E+012 -3.10000000E-001 +7.66700000E+002 /
PLOG /                           +3.16000000E-001 +2.56000000E+012 -3.50000000E-001 +8.66800000E+002 /
PLOG /                           +1.00000000E+000 +1.03000000E+013 -5.10000000E-001 +1.35700000E+003 /
PLOG /                           +3.16000000E+000 +3.15000000E+014 -9.20000000E-001 +2.65500000E+003 /
PLOG /                           +1.00000000E+001 +2.28000000E+016 -1.42000000E+000 +4.62800000E+003 /
PLOG /                           +3.16000000E+001 +1.43000000E+017 -1.59000000E+000 +6.48000000E+003 /
PLOG /                           +1.00000000E+002 +7.49000000E+015 -1.17000000E+000 +7.57600000E+003 /
C4H71-1+O2<=>CH2O+C2H5CO                          +1.11000000E+016 -1.48000000E+000 +6.90600000E+003 !\Author: HL !\Ref: ANALOGY WITH C3H5-S+O2<=>CH2O+CH3CO, \Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.00000000E+014 -1.31000000E+000 +1.70900000E+003 /
PLOG /                           +1.00000000E-001 +8.24000000E+014 -1.31000000E+000 +1.71800000E+003 /
PLOG /                           +3.16000000E-001 +1.05000000E+015 -1.34000000E+000 +1.79700000E+003 /
PLOG /                           +1.00000000E+000 +4.18000000E+015 -1.51000000E+000 +2.27400000E+003 /
PLOG /                           +3.16000000E+000 +2.30000000E+018 -2.27000000E+000 +4.42900000E+003 /
PLOG /                           +1.00000000E+001 +3.06000000E+017 -2.00000000E+000 +4.52800000E+003 /
PLOG /                           +3.16000000E+001 +4.91000000E+018 -2.29000000E+000 +6.70900000E+003 /
PLOG /                           +1.00000000E+002 +1.11000000E+016 -1.48000000E+000 +6.90600000E+003 /
C4H71-1+O2<=>HCO+C2H5CHO                          +1.32000000E+021 -2.49000000E+000 +8.43900000E+003 !\Author: HL !\Ref: ANALOGY WITH C3H5-S+O2<=>CH3CHO+HCO, \Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.03000000E+018 -1.90000000E+000 +2.18700000E+003 /
PLOG /                           +1.00000000E-001 +3.05000000E+018 -1.90000000E+000 +2.18600000E+003 /
PLOG /                           +3.16000000E-001 +3.73000000E+018 -1.93000000E+000 +2.24600000E+003 /
PLOG /                           +1.00000000E+000 +1.50000000E+019 -2.10000000E+000 +2.71200000E+003 /
PLOG /                           +3.16000000E+000 +5.19000000E+020 -2.52000000E+000 +4.03200000E+003 /
PLOG /                           +1.00000000E+001 +1.49000000E+022 -2.90000000E+000 +5.75200000E+003 /
PLOG /                           +3.16000000E+001 +1.56000000E+023 -3.14000000E+000 +7.82400000E+003 /
PLOG /                           +1.00000000E+002 +1.32000000E+021 -2.49000000E+000 +8.43900000E+003 /
C4H71-1+O2<=>CO2+NC3H7                            +9.18000000E+018 -2.39000000E+000 +8.50800000E+003 !\Author: HL !\Ref: ANALOGY WITH C3H5-S+O2<=>CO2+C2H5, \Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.66000000E+016 -1.77000000E+000 +2.16000000E+003 /
PLOG /                           +1.00000000E-001 +1.69000000E+016 -1.77000000E+000 +2.16400000E+003 /
PLOG /                           +3.16000000E-001 +2.12000000E+016 -1.80000000E+000 +2.23600000E+003 /
PLOG /                           +1.00000000E+000 +8.51000000E+016 -1.97000000E+000 +2.70900000E+003 /
PLOG /                           +3.16000000E+000 +2.85000000E+018 -2.39000000E+000 +4.02500000E+003 /
PLOG /                           +1.00000000E+001 +1.20000000E+020 -2.81000000E+000 +5.85800000E+003 /
PLOG /                           +3.16000000E+001 +6.93000000E+020 -2.98000000E+000 +7.74800000E+003 /
PLOG /                           +1.00000000E+002 +9.18000000E+018 -2.39000000E+000 +8.50800000E+003 /
C4H71-1+O2<=>CH2OH+CH3CHCO                        +6.81000000E+007 +6.30000000E-001 +3.59000000E+003 !\Author: HL !\Ref: ANALOGY WITH C3H5-S+O2<=>CH2OH+CH2CO, \Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +9.08000000E+009 -1.30000000E-001 +6.34000000E+002 /
PLOG /                           +1.00000000E-001 +9.69000000E+009 -1.30000000E-001 +6.58400000E+002 /
PLOG /                           +3.16000000E-001 +1.31000000E+010 -1.70000000E-001 +7.65800000E+002 /
PLOG /                           +1.00000000E+000 +5.31000000E+010 -3.40000000E-001 +1.26100000E+003 /
PLOG /                           +3.16000000E+000 +3.72000000E+012 -8.50000000E-001 +2.82000000E+003 /
PLOG /                           +1.00000000E+001 +3.19000000E+007 +6.00000000E-001 -2.62000000E+001 /
PLOG /                           +3.16000000E+001 +3.09000000E+011 -4.70000000E-001 +4.10600000E+003 /
PLOG /                           +1.00000000E+002 +6.81000000E+007 +6.30000000E-001 +3.59000000E+003 /
C4H71-1+O2=>H+CO+C2H5CHO                          +3.08000000E+021 -2.49000000E+000 +8.43900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +7.06000000E+018 -1.90000000E+000 +2.18700000E+003 /
PLOG /                           +1.00000000E-001 +7.11000000E+018 -1.90000000E+000 +2.18600000E+003 /
PLOG /                           +1.00000000E+000 +3.50000000E+019 -2.10000000E+000 +2.71200000E+003 /
PLOG /                           +1.00000000E+001 +3.47000000E+022 -2.90000000E+000 +5.75200000E+003 /
PLOG /                           +1.00000000E+002 +3.08000000E+021 -2.49000000E+000 +8.43900000E+003 /

!___________________________________________________________________________________________________________ 
!===========================================================================================================
!\ENDSUBSPECIES: C4H71-1
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: C4H71-2
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 

C4H71-2=C4H71-1                                   5.69E-22        8.72    32070.0 !HL NEEDS \RefIT
  PLOG/1.000E-02    7.43E+113      -33.65    74560.0/
  !PLOG/1.000E-02    0.00E+00        0.00    0.0/                                ! fit btw. 298 and 1000 K with MAE of 1851.3%, 9254.5%
  PLOG/1.000E-01    6.55E+98      -28.65    74800.0/
  PLOG/1.000E-01    7.07E+76      -41.57    -28360.0/                           ! fit btw. 400 and 1200 K with MAE of 53.8%, 130.8%
!  PLOG/1.000E+00    -8.20E+01        0.69    33760.0/
!  PLOG/1.000E+00    2.77E-09        4.20    31250.0/                            ! fit btw. 298 and 1300 K with MAE of 90.7%, 283.0%
  PLOG/1.000E+01    2.00E-47       -7.45    -61340.0/
  PLOG/1.000E+01    1.72E+62      -16.34    68830.0/                            ! fit btw. 298 and 1400 K with MAE of 8.9%, 30.4%
  PLOG/1.000E+02    1.59E+64      -20.73    48550.0/
  PLOG/1.000E+02    2.81E+54      -13.39    72010.0/                            ! fit btw. 300 and 1600 K with MAE of 1.2%, 2.3%

C4H71-2=C4H61-3+H                                   1.57E+01        3.39    40040.0 !HL NEEDS \RefIT
  PLOG/1.000E-02    2.50E+67      -17.99    54990.0/
  PLOG/1.000E-02    4.90E+34       -8.18    41020.0/                            ! fit btw. 298 and 1200 K with MAE of 0.8%, 1.8%
  PLOG/1.000E-01    1.50E+39       -8.88    46600.0/
  PLOG/1.000E-01    1.62E+31      -10.05    31510.0/                            ! fit btw. 298 and 1200 K with MAE of 13.9%, 32.6%
  PLOG/1.000E+00    1.43E+58      -14.07    59640.0/
  PLOG/1.000E+00    3.42E+23       -4.35    41360.0/                            ! fit btw. 298 and 1400 K with MAE of 2.1%, 5.6%
  PLOG/1.000E+01    1.80E+16       -1.22    44380.0/
  PLOG/1.000E+01    7.94E+09       -3.10    28430.0/                            ! fit btw. 298 and 1500 K with MAE of 34.6%, 121.7%
!  PLOG/1.000E+02    -8.45E+05        1.53    38500.0/
!  PLOG/1.000E+02    1.28E-05        5.16    35940.0/                            ! fit btw. 298 and 1700 K with MAE of 52.3%, 236.7%

C4H71-2=C2H4+C2H3                                   1.80E+05        2.12    42300.0
  PLOG/1.000E-02    6.48E+69      -18.98    56580.0/
  PLOG/1.000E-02    2.82E+37       -9.19    42750.0/                            ! fit btw. 298 and 1200 K with MAE of 0.8%, 1.6%
  PLOG/1.000E-01    1.73E+64      -16.62    57990.0/
  PLOG/1.000E-01    2.56E+34       -7.91    43970.0/                            ! fit btw. 298 and 1200 K with MAE of 0.8%, 1.9%
  PLOG/1.000E+00    6.65E+59      -14.71    60560.0/
  PLOG/1.000E+00    2.73E+28       -5.88    43950.0/                            ! fit btw. 298 and 1400 K with MAE of 1.7%, 4.8%
  PLOG/1.000E+01    5.34E+54      -12.69    63430.0/
  PLOG/1.000E+01    3.61E+16       -2.04    42070.0/                            ! fit btw. 298 and 1500 K with MAE of 5.1%, 11.1%
  PLOG/1.000E+02    3.75E+08        1.19    44610.0/
  PLOG/1.000E+02    5.93E+02       -0.29    30580.0/                            ! fit btw. 298 and 1700 K with MAE of 41.1%, 162.2%

C4H71-2=C3H4-P+CH3                                   4.17E+12       -0.61    54920.0  !HL NEEDS \RefIT
  PLOG/1.000E-02    4.45E+110      -33.09    73110.0/
  PLOG/1.000E-02    5.41E-50       16.15    18300.0/                            ! fit btw. 298 and 1200 K with MAE of 71.3%, 227.2%
  PLOG/1.000E-01    5.06E+61      -16.90    61890.0/
  PLOG/1.000E-01    2.50E+42      -11.44    51530.0/                            ! fit btw. 298 and 1200 K with MAE of 1.7%, 3.7%
  PLOG/1.000E+00    5.69E+64      -17.16    68040.0/
  PLOG/1.000E+00    1.36E+31       -7.26    52260.0/                            ! fit btw. 298 and 1400 K with MAE of 1.5%, 3.1%
  PLOG/1.000E+01    5.06E+55      -13.75    70310.0/
  PLOG/1.000E+01    7.77E+23       -4.87    52950.0/                            ! fit btw. 298 and 1500 K with MAE of 2.9%, 6.2%
!  PLOG/1.000E+02    -5.20E+17       -2.60    53280.0/
!  PLOG/1.000E+02    9.37E+06        1.01    50770.0/                            ! fit btw. 298 and 1700 K with MAE of 47.1%, 171.5%

!DONG 0423!C4H71-2<=>C3H4-A+CH3                              +1.23000000E+010 +1.19000000E+000 +3.29159810E+004   !\AUTHOR: !\Ref:YANG CALCULATIONS
C4H71-2<=>C3H4-A+CH3                              +5.58000000E+045 -9.38000000E+000 +5.14900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.91000000E+073 -1.90800000E+001 +5.39700000E+004 /
PLOG /                           +1.00000000E-002 +2.81000000E+038 -8.55000000E+000 +3.84900000E+004 /
PLOG /                           +1.00000000E-001 +6.02000000E+062 -1.53900000E+001 +5.18600000E+004 /
PLOG /                           +1.00000000E-001 +7.08000000E+035 -7.62000000E+000 +3.80600000E+004 /
PLOG /                           +1.00000000E+000 +1.02000000E+057 -1.32900000E+001 +5.17300000E+004 /
PLOG /                           +1.00000000E+000 +3.89000000E+031 -6.14000000E+000 +3.72600000E+004 /
PLOG /                           +1.00000000E+001 +2.47000000E+051 -1.13100000E+001 +5.16400000E+004 /
PLOG /                           +1.00000000E+001 +7.17000000E+026 -4.50000000E+000 +3.63400000E+004 /
PLOG /                           +1.00000000E+002 +5.58000000E+045 -9.38000000E+000 +5.14900000E+004 /
PLOG /                           +1.00000000E+002 +7.36000000E+021 -2.79000000E+000 +3.53100000E+004 /

C4H71-2=C2H5+C2H2                                   9.96E+11       -0.45    56120.0 !HL NEEDS \RefIT
  PLOG/1.000E-02    1.86E+44      -12.28    51340.0/
  PLOG/1.000E-02    3.97E+37      -12.71    40880.0/                            ! fit btw. 298 and 1100 K with MAE of 13.7%, 39.2%
  PLOG/1.000E-01    2.62E+78      -22.09    69670.0/
  PLOG/1.000E-01    1.95E+41      -10.91    52920.0/                            ! fit btw. 298 and 1200 K with MAE of 1.7%, 3.5%
  PLOG/1.000E+00    1.62E+71      -19.17    71660.0/
  PLOG/1.000E+00    1.52E+32       -7.55    54070.0/                            ! fit btw. 298 and 1400 K with MAE of 2.5%, 6.5%
  PLOG/1.000E+01    6.03E+59      -15.01    73370.0/
  PLOG/1.000E+01    9.33E+18       -3.23    53200.0/                            ! fit btw. 298 and 1500 K with MAE of 3.8%, 7.9%
!  PLOG/1.000E+02    -1.28E+17       -2.44    54500.0/
!  PLOG/1.000E+02    2.33E+06        1.17    51980.0/                            ! fit btw. 298 and 1700 K with MAE of 50.5%, 168.0%

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+H<=>PRODUCTS
C4H71-2+H<=>C4H8-1                                +1.15000000E+050 -1.04000000E+001 +2.33000000E+004 !\Author: HL !\Ref: ANALOGY WITH C3H5-T+H<=>C3H6, \Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.96000000E+060 -1.52000000E+001 +1.80000000E+004 /
PLOG /                           +1.00000000E-002 +1.49000000E+048 -1.20000000E+001 +7.20330000E+003 /
PLOG /                           +1.00000000E-001 +3.20000000E+062 -1.51000000E+001 +2.01000000E+004 /
PLOG /                           +1.00000000E-001 +6.76000000E+046 -1.11000000E+001 +7.62990000E+003 /
PLOG /                           +1.00000000E+000 +2.31000000E+060 -1.40000000E+001 +2.19000000E+004 /
PLOG /                           +1.00000000E+000 +1.09000000E+040 -8.66000000E+000 +6.44780000E+003 /
PLOG /                           +1.00000000E+001 +3.69000000E+054 -1.20000000E+001 +2.21000000E+004 /
PLOG /                           +1.00000000E+001 +2.38000000E+031 -5.73000000E+000 +4.50600000E+003 /
PLOG /                           +1.00000000E+002 +1.15000000E+050 -1.04000000E+001 +2.33000000E+004 /
PLOG /                           +1.00000000E+002 +5.69000000E+025 -3.83000000E+000 +3.25040000E+003 /
C4H71-2+H<=>C4H71-3+H                             +2.28000000E+029 -4.12000000E+000 +2.09000000E+004 !\Author: HL !\Ref: ANALOGY WITH C3H5-T+H<=>C3H5-A+H, \Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.11000000E+017 -1.08000000E+000 +1.29000000E+003 /
PLOG /                           +1.00000000E-002 +6.41000000E+003 +2.61000000E+000 -3.77840000E+003 /
PLOG /                           +1.00000000E-001 +9.05000000E+029 -4.91000000E+000 +8.54000000E+003 /
PLOG /                           +1.00000000E-001 +5.19000000E+014 -3.00000000E-001 +1.09040000E+003 /
PLOG /                           +1.00000000E+000 +2.98000000E+030 -4.79000000E+000 +1.20000000E+004 /
PLOG /                           +1.00000000E+000 +8.17000000E+011 +4.90000000E-001 +1.18460000E+003 /
PLOG /                           +1.00000000E+001 +8.22000000E+028 -4.14000000E+000 +1.54000000E+004 /
PLOG /                           +1.00000000E+001 +2.79000000E+009 +1.09000000E+000 +1.18750000E+003 /
PLOG /                           +1.00000000E+002 +2.28000000E+029 -4.12000000E+000 +2.09000000E+004 /
PLOG /                           +1.00000000E+002 +6.75000000E+003 +2.70000000E+000 +3.73800000E+002 /
C4H71-2+H<=>C2H3+C2H5                             +3.15000000E+032 -4.83000000E+000 +2.60000000E+004 !\Author: HL !\Ref: ANALOGY WITH C3H5-T+H<=>C2H3+CH3, \Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.31000000E+016 -6.90000000E-001 +5.20000000E+003 /
PLOG /                           +1.00000000E-002 +8.04000000E+013 -1.40000000E-001 +1.15000000E+003 /
PLOG /                           +1.00000000E-001 +9.04000000E+016 -8.10000000E-001 +4.80000000E+003 /
PLOG /                           +1.00000000E-001 +7.17000000E+010 +6.70000000E-001 +6.73800000E+002 /
PLOG /                           +1.00000000E+000 +2.01000000E+024 -2.86000000E+000 +1.09000000E+004 /
PLOG /                           +1.00000000E+000 +9.97000000E+008 +1.36000000E+000 +1.59640000E+003 /
PLOG /                           +1.00000000E+001 +2.75000000E+026 -3.31000000E+000 +1.58000000E+004 /
PLOG /                           +1.00000000E+001 +7.41000000E+007 +1.57000000E+000 +2.10880000E+003 /
PLOG /                           +1.00000000E+002 +3.15000000E+032 -4.83000000E+000 +2.60000000E+004 /
PLOG /                           +1.00000000E+002 +2.70000000E+012 +3.20000000E-001 +6.79180000E+003 /

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C4H71-2+H<=>C4H6-1+H2                             +3.34000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: HL !\Ref: ANALOGY WITH C3H5-T+H<=>C3H4-P+H2, \Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C4H71-2+CH3<=>C4H6-1+CH4                          +1.00000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: HL !\Ref: ANALOGY WITH C3H5-T+CH3<=>C3H4-P+CH4, \Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C4H71-2+O<=>C2H5+CH2CO                            +6.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: HL !\Ref: ANALOGY WITH C3H5-T+O<=>CH3+CH2CO, \Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
!DONG 220419, DUP!C4H71-2+OH<=>C4H71-2OH                            +5.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: HL !\Ref: ANALOGY WITH C3H5-T+OH<=>IC3H5OH, \Ref: REVERSE BY ANALOGY HCO+OH -->PRODUCTS !\Comment: WARNING 
C4H71-2+OH<=>C2H5+CH2CO+H                         +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: HL !\Ref: ANALOGY WITH C3H5-T+OH=>CH3+CH2CO+H, \Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C4H71-2+HO2<=>C2H5+CH2CO+OH                       +2.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: HL !\Ref: ANALOGY WITH C3H5-T+HO2=>CH3+CH2CO+OH, \Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C4H71-2+HCO<=>C4H8-1+CO                           +9.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: HL !\Ref: ANALOGY WITH C3H5-T+HCO<=>C3H6+CO, \Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C4H71-2+O2<=>C4H71-2O2                                  4.64E+30       -5.51    7330.0                 !\Author: HL !\Ref: ANALOGY WITH C3H5-T+O2<=>TC3H5OO, \Ref: Xi Chen, 2017; WARNING !\Comment: WARNING 
PLOG/1.000E-02    2.83E+31       -7.74    5061.0/                             ! fit btw. 500 and 1000 K with MAE of 0.5%, 1.2%
PLOG/1.000E-01    7.42E+39       -9.66    6052.0/                             ! fit btw. 500 and 1150 K with MAE of 0.6%, 1.3%
PLOG/3.160E-01    1.97E+42      -10.05    7463.0/                             ! fit btw. 500 and 1200 K with MAE of 0.8%, 1.6%
PLOG/1.000E+00    5.52E+42       -9.87    8633.0/                             ! fit btw. 500 and 1300 K with MAE of 1.5%, 3.9%
PLOG/3.160E+00    3.27E+41       -9.24    9297.0/                             ! fit btw. 500 and 1400 K with MAE of 3.0%, 7.6%
PLOG/1.000E+01    1.07E+39       -8.28    9362.0/                             ! fit btw. 500 and 1550 K with MAE of 5.1%, 12.5%
PLOG/3.160E+01    8.38E+34       -6.89    8499.0/                             ! fit btw. 500 and 1650 K with MAE of 6.9%, 16.2%
PLOG/1.000E+02    4.64E+30       -5.51    7330.0/                             ! fit btw. 500 and 1800 K with MAE of 8.5%, 19.5%
C4H71-2+O2<=>C2H5COCH+OH                              2.00E+19       -2.07    13700.0                !\Author: HL !\Ref: ANALOGY WITH C3H5-T+O2<=>CH3COCH+OH, \Ref: Xi Chen, 2017; WARNING !\Comment: WARNING
PLOG/1.000E-02    2.58E+11       -0.03    3257.0/                             ! fit btw. 500 and 2200 K with MAE of 1.0%, 2.2%
PLOG/1.000E-01    5.24E+11       -0.11    3509.0/                             ! fit btw. 500 and 2200 K with MAE of 1.0%, 2.5%
PLOG/3.160E-01    2.10E+12       -0.28    4004.0/                             ! fit btw. 500 and 2200 K with MAE of 1.2%, 3.2%
PLOG/1.000E+00    4.03E+13       -0.63    5094.0/                             ! fit btw. 500 and 2200 K with MAE of 1.7%, 4.4%
PLOG/3.160E+00    4.15E+15       -1.18    6938.0/                             ! fit btw. 500 and 2200 K with MAE of 2.2%, 5.6%
PLOG/1.000E+01    6.74E+17       -1.77    9318.0/                             ! fit btw. 500 and 2200 K with MAE of 2.5%, 5.2%
PLOG/3.160E+01    2.08E+19       -2.14    11730.0/                            ! fit btw. 500 and 2200 K with MAE of 3.3%, 13.3%
PLOG/1.000E+02    2.00E+19       -2.07    13700.0/                            ! fit btw. 500 and 2200 K with MAE of 6.4%, 21.4%
C4H71-2+O2<=>C2H5COCH2+O                               9.00E+15       -1.11    10430.0            !\Author: HL !\Ref: ANALOGY WITH C3H5-T+O2<=>CH3COCH2+O, \Ref: Xi Chen, 2017; WARNING !\Comment: WARNING 
PLOG/1.000E-02    1.49E+11        0.06    2258.0/                             ! fit btw. 500 and 2200 K with MAE of 1.1%, 2.6%
PLOG/1.000E-01    3.09E+11       -0.03    2517.0/                             ! fit btw. 500 and 2200 K with MAE of 1.1%, 2.7%
PLOG/3.160E-01    1.35E+12       -0.21    3043.0/                             ! fit btw. 500 and 2200 K with MAE of 1.3%, 3.5%
PLOG/1.000E+00    2.91E+13       -0.57    4182.0/                             ! fit btw. 500 and 2200 K with MAE of 1.8%, 4.7%
PLOG/3.160E+00    2.51E+15       -1.10    5996.0/                             ! fit btw. 500 and 2200 K with MAE of 2.3%, 5.6%
PLOG/1.000E+01    1.49E+17       -1.57    8096.0/                             ! fit btw. 500 and 2200 K with MAE of 2.7%, 8.5%
PLOG/3.160E+01    4.62E+17       -1.65    9787.0/                             ! fit btw. 500 and 2200 K with MAE of 4.2%, 18.8%
PLOG/1.000E+02    9.00E+15       -1.11    10430.0/                            ! fit btw. 500 and 2200 K with MAE of 8.1%, 28.3%
C4H71-2+O2<=>C4H612+HO2                                 1.83E+08        1.11    10240.0           !\Author: HL !\Ref: ANALOGY WITH C3H5-T+O2<=>C3H4-A+HO2, \Ref: Xi Chen, 2017; WARNING !\Comment: WARNING 
PLOG/1.000E-02    1.48E+07        1.28    4732.0/                             ! fit btw. 500 and 2200 K with MAE of 1.3%, 6.9%
PLOG/1.000E-01    1.05E+07        1.33    4929.0/                             ! fit btw. 500 and 2200 K with MAE of 2.8%, 12.2%
PLOG/3.160E-01    4.15E+06        1.45    4916.0/                             ! fit btw. 500 and 2200 K with MAE of 3.6%, 12.9%
PLOG/1.000E+00    2.55E+06        1.53    5139.0/                             ! fit btw. 500 and 2200 K with MAE of 3.6%, 10.7%
PLOG/3.160E+00    6.14E+06        1.43    5931.0/                             ! fit btw. 500 and 2200 K with MAE of 2.6%, 7.2%
PLOG/1.000E+01    4.39E+07        1.22    7305.0/                             ! fit btw. 500 and 2200 K with MAE of 1.7%, 6.6%
PLOG/3.160E+01    3.59E+08        0.99    8997.0/                             ! fit btw. 500 and 2200 K with MAE of 2.6%, 12.4%
PLOG/1.000E+02    1.83E+08        1.11    10240.0/                            ! fit btw. 500 and 2200 K with MAE of 5.4%, 21.7%
C4H71-2+O2<=>C4H6-1+HO2                                 4.23E+12       -0.08    12010.0            !\Author: HL !\Ref: ANALOGY WITH C3H5-T+O2<=>C3H4-P+HO2, \Ref: Xi Chen, 2017; WARNING !\Comment: WARNING 
PLOG/1.000E-02    6.22E+05        1.70    3399.0/                             ! fit btw. 500 and 2200 K with MAE of 0.8%, 4.3%
PLOG/1.000E-01    1.07E+06        1.63    3587.0/                             ! fit btw. 500 and 2200 K with MAE of 0.7%, 3.6%
PLOG/3.160E-01    3.19E+06        1.50    3969.0/                             ! fit btw. 500 and 2200 K with MAE of 0.5%, 2.5%
PLOG/1.000E+00    3.80E+07        1.20    4854.0/                             ! fit btw. 500 and 2200 K with MAE of 0.7%, 1.7%
PLOG/3.160E+00    2.52E+09        0.70    6443.0/                             ! fit btw. 500 and 2200 K with MAE of 1.4%, 3.2%
PLOG/1.000E+01    3.53E+11        0.12    8580.0/                             ! fit btw. 500 and 2200 K with MAE of 2.0%, 4.9%
PLOG/3.160E+01    1.02E+13       -0.25    10680.0/                            ! fit btw. 500 and 2200 K with MAE of 3.0%, 14.3%
PLOG/1.000E+02    4.23E+12       -0.08    12010.0/                            ! fit btw. 500 and 2200 K with MAE of 6.6%, 25.2%
C4H71-2+O2<=>C2H4COCH2+OH                               3.51E+10        0.68    19690.0         !\Author: HL !\Ref: ANALOGY WITH C3H5-T+O2<=>CH2COCH2+OH, \Ref: Xi Chen, 2017; WARNING !\Comment: WARNING 
PLOG/1.000E-02    5.83E+15       -1.22    8200.0/                             ! fit btw. 500 and 2200 K with MAE of 4.0%, 9.2%
PLOG/1.000E-01    1.53E+20       -2.41    12680.0/                            ! fit btw. 500 and 2200 K with MAE of 3.9%, 9.3%
PLOG/3.160E-01    3.54E+21       -2.75    14870.0/                            ! fit btw. 500 and 2200 K with MAE of 3.8%, 11.1%
PLOG/1.000E+00    5.22E+21       -2.74    16660.0/                            ! fit btw. 500 and 2200 K with MAE of 4.9%, 20.6%
PLOG/3.160E+00    3.93E+20       -2.36    17980.0/                            ! fit btw. 500 and 2200 K with MAE of 7.9%, 27.7%
PLOG/1.000E+01    1.41E+18       -1.59    18860.0/                            ! fit btw. 500 and 2200 K with MAE of 10.7%, 32.3%
PLOG/3.160E+01    1.66E+15       -0.70    19670.0/                            ! fit btw. 500 and 2200 K with MAE of 14.2%, 37.5%
PLOG/1.000E+02    3.51E+10        0.68    19690.0/                            ! fit btw. 500 and 2200 K with MAE of 17.4%, 42.4%
C4H71-2+O2<=>CH2CO+C2H5O                                1.31E+20       -2.66    10120.0          !\Author: HL !\Ref: ANALOGY WITH C3H5-T+O2<=>CH2CO+CH3O, \Ref: Xi Chen, 2017; WARNING !\Comment: WARNING 
PLOG/1.000E-02    3.91E+17       -2.16    2134.0/                             ! fit btw. 500 and 2200 K with MAE of 1.5%, 4.2%
PLOG/1.000E-01    5.63E+17       -2.21    2258.0/                             ! fit btw. 500 and 2200 K with MAE of 1.5%, 4.4%
PLOG/3.160E-01    2.58E+18       -2.39    2783.0/                             ! fit btw. 500 and 2200 K with MAE of 1.7%, 5.2%
PLOG/1.000E+00    8.55E+19       -2.81    4092.0/                             ! fit btw. 500 and 2200 K with MAE of 2.2%, 6.3%
PLOG/3.160E+00    6.99E+21       -3.32    6045.0/                             ! fit btw. 500 and 2200 K with MAE of 2.5%, 6.1%
PLOG/1.000E+01    8.54E+22       -3.59    7948.0/                             ! fit btw. 500 and 2200 K with MAE of 3.1%, 12.3%
PLOG/3.160E+01    1.86E+22       -3.34    9226.0/                             ! fit btw. 500 and 2200 K with MAE of 5.9%, 21.9%
PLOG/1.000E+02    1.31E+20       -2.66    10120.0/                            ! fit btw. 500 and 2200 K with MAE of 9.0%, 28.3%
C4H71-2+O2<=>C2H5COCHO+H                                2.21E+16       -1.38    8537.0        !\Author: HL !\Ref: ANALOGY WITH C3H5-T+O2<=>CH3COCHO+H , \Ref: Xi Chen, 2017; WARNING !\Comment: WARNING 
PLOG/1.000E-02    1.03E+13       -0.65    440.9/                              ! fit btw. 500 and 2200 K with MAE of 2.5%, 6.7%
PLOG/1.000E-01    1.55E+13       -0.70    585.4/                              ! fit btw. 500 and 2200 K with MAE of 2.6%, 6.9%
PLOG/3.160E-01    6.98E+13       -0.88    1112.0/                             ! fit btw. 500 and 2200 K with MAE of 3.0%, 7.7%
PLOG/1.000E+00    2.24E+15       -1.29    2406.0/                             ! fit btw. 500 and 2200 K with MAE of 3.5%, 8.9%
PLOG/3.160E+00    2.11E+17       -1.83    4369.0/                             ! fit btw. 500 and 2200 K with MAE of 3.5%, 9.0%
PLOG/1.000E+01    4.87E+18       -2.17    6393.0/                             ! fit btw. 500 and 2200 K with MAE of 3.4%, 8.4%
PLOG/3.160E+01    2.97E+18       -2.05    7863.0/                             ! fit btw. 500 and 2200 K with MAE of 4.6%, 18.9%
PLOG/1.000E+02    2.21E+16       -1.38    8537.0/                             ! fit btw. 500 and 2200 K with MAE of 8.0%, 26.6%
C4H71-2+O2<=>CH2OH+CH3CHCO                               2.83E+17       -1.86    8967.0           !\Author: HL !\Ref: ANALOGY WITH C3H5-T+O2<=>CH2CO+CH2OH, \Ref: Xi Chen, 2017; WARNING !\Comment: WARNING 
PLOG/1.000E-02    3.15E+14       -1.24    987.1/                              ! fit btw. 500 and 2200 K with MAE of 2.3%, 6.4%
PLOG/1.000E-01    4.56E+14       -1.28    1114.0/                             ! fit btw. 500 and 2200 K with MAE of 2.3%, 6.6%
PLOG/3.160E-01    2.05E+15       -1.46    1636.0/                             ! fit btw. 500 and 2200 K with MAE of 2.7%, 7.3%
PLOG/1.000E+00    6.75E+16       -1.88    2938.0/                             ! fit btw. 500 and 2200 K with MAE of 3.2%, 8.5%
PLOG/3.160E+00    2.06E+18       -2.28    4582.0/                             ! fit btw. 500 and 2200 K with MAE of 3.7%, 9.7%
PLOG/1.000E+01    2.45E+19       -2.54    6436.0/                             ! fit btw. 500 and 2200 K with MAE of 4.1%, 19.2%
PLOG/3.160E+01    1.16E+20       -2.67    8556.0/                             ! fit btw. 500 and 2200 K with MAE of 4.3%, 12.1%
PLOG/1.000E+02    2.83E+17       -1.86    8967.0/                             ! fit btw. 500 and 2200 K with MAE of 8.0%, 25.7%
C4H71-2+O2<=>CH2O+C2H5CO                                9.27E+21       -2.74    9364.0           !\Author: HL !\Ref: ANALOGY WITH C3H5-T+O2<=>CH2O+CH3CO, \Ref: Xi Chen, 2017; WARNING !\Comment: WARNING 
PLOG/1.000E-02    4.13E+20       -2.57    2366.0/                             ! fit btw. 500 and 2200 K with MAE of 1.5%, 4.2%
PLOG/1.000E-01    5.55E+20       -2.61    2458.0/                             ! fit btw. 500 and 2200 K with MAE of 1.5%, 4.3%
PLOG/3.160E-01    2.55E+21       -2.79    2974.0/                             ! fit btw. 500 and 2200 K with MAE of 1.7%, 5.1%
PLOG/1.000E+00    9.03E+22       -3.21    4296.0/                             ! fit btw. 500 and 2200 K with MAE of 2.2%, 6.3%
PLOG/3.160E+00    7.37E+24       -3.73    6259.0/                             ! fit btw. 500 and 2200 K with MAE of 2.5%, 5.9%
PLOG/1.000E+01    1.36E+25       -3.76    7614.0/                             ! fit btw. 500 and 2200 K with MAE of 4.4%, 22.5%
PLOG/3.160E+01    9.70E+24       -3.66    9232.0/                             ! fit btw. 500 and 2200 K with MAE of 5.9%, 19.5%
PLOG/1.000E+02    9.27E+21       -2.74    9364.0/                             ! fit btw. 500 and 2200 K with MAE of 9.1%, 27.2%
C4H71-2+O2<=>CH2O+C2H5+CO                            +7.07000000E+033 -6.28000000E+000 +1.60000000E+004 !\Author: HL !\Ref: ANALOGY WITH C3H5-T+O2=>CH2O+CH3+CO, \Ref: GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.47000000E+036 -7.60000000E+000 +1.26400000E+004 /
PLOG /                           +1.00000000E-002 +1.18000000E+016 -1.28000000E+000 +5.15300000E+002 /
PLOG /                           +1.00000000E-001 +6.29000000E+036 -7.60000000E+000 +1.26100000E+004 /
PLOG /                           +1.00000000E-001 +1.19000000E+016 -1.28000000E+000 +5.13000000E+002 /
PLOG /                           +3.16000000E-001 +5.06000000E+036 -7.57000000E+000 +1.24900000E+004 /
PLOG /                           +3.16000000E-001 +1.26000000E+016 -1.29000000E+000 +5.20600000E+002 /
PLOG /                           +1.00000000E+000 +7.07000000E+035 -7.32000000E+000 +1.18200000E+004 /
PLOG /                           +1.00000000E+000 +1.58000000E+016 -1.31000000E+000 +6.45700000E+002 /
PLOG /                           +3.16000000E+000 +3.72000000E+036 -7.47000000E+000 +1.24600000E+004 /
PLOG /                           +3.16000000E+000 +2.44000000E+016 -1.36000000E+000 +1.06600000E+003 /
PLOG /                           +1.00000000E+001 +1.34000000E+036 -7.20000000E+000 +1.34300000E+004 /
PLOG /                           +1.00000000E+001 +6.64000000E+015 -1.18000000E+000 +1.42900000E+003 /
PLOG /                           +3.16000000E+001 +8.26000000E+020 -2.57000000E+000 +5.57800000E+003 /
PLOG /                           +3.16000000E+001 +2.66000000E+069 -1.92300000E+001 +1.47600000E+004 /
PLOG /                           +1.00000000E+002 +7.07000000E+033 -6.28000000E+000 +1.60000000E+004 /
PLOG /                           +1.00000000E+002 +1.09000000E+011 +1.90000000E-001 +8.30600000E+002 /
C4H71-2+O2<=>NC3H7+CO2                            +1.21000000E+032 -6.32000000E+000 +1.61900000E+004 !\Author: HL !\Ref: ANALOGY WITH C3H5-T+O2<=>C2H5+CO2, \Ref: GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.37000000E+035 -7.76000000E+000 +1.26300000E+004 /
PLOG /                           +1.00000000E-002 +6.27000000E+013 -1.16000000E+000 +4.06300000E+002 /
PLOG /                           +1.00000000E-001 +1.73000000E+035 -7.72000000E+000 +1.25200000E+004 /
PLOG /                           +1.00000000E-001 +6.24000000E+013 -1.16000000E+000 +4.01400000E+002 /
PLOG /                           +3.16000000E-001 +4.47000000E+034 -7.55000000E+000 +1.21400000E+004 /
PLOG /                           +3.16000000E-001 +6.12000000E+013 -1.16000000E+000 +3.97000000E+002 /
PLOG /                           +1.00000000E+000 +7.25000000E+031 -6.70000000E+000 +1.04400000E+004 /
PLOG /                           +1.00000000E+000 +5.32000000E+013 -1.14000000E+000 +4.46700000E+002 /
PLOG /                           +3.16000000E+000 +3.63000000E+035 -7.75000000E+000 +1.28300000E+004 /
PLOG /                           +3.16000000E+000 +1.45000000E+014 -1.26000000E+000 +9.87700000E+002 /
PLOG /                           +1.00000000E+001 +2.09000000E+035 -7.53000000E+000 +1.40500000E+004 /
PLOG /                           +1.00000000E+001 +5.02000000E+013 -1.11000000E+000 +1.40900000E+003 /
PLOG /                           +3.16000000E+001 +3.84000000E+018 -2.44000000E+000 +5.40800000E+003 /
PLOG /                           +3.16000000E+001 +1.40000000E+070 -2.01100000E+001 +1.54300000E+004 /
PLOG /                           +1.00000000E+002 +1.21000000E+032 -6.32000000E+000 +1.61900000E+004 /
PLOG /                           +1.00000000E+002 +9.21000000E+008 +2.50000000E-001 +8.55300000E+002 /
!___________________________________________________________________________________________________________ 
!===========================================================================================================
!\ENDSUBSPECIES: C4H71-2
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: C4H71-3
!===========================================================================================================
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 

C4H71-3=C4H71-1                                   2.87E-10        6.26    48480.0  !HL NEEDS \RefIT
  PLOG/1.000E-02    1.14E+10       -0.95    51020.0/
  PLOG/1.000E-02    4.40E+02       -3.11    32850.0/                            ! fit btw. 298 and 1100 K with MAE of 33.5%, 98.9%
  PLOG/1.000E-01    4.09E+10       -0.66    53130.0/
  PLOG/1.000E-01    3.16E+06       -1.82    42970.0/                            ! fit btw. 298 and 1200 K with MAE of 48.1%, 114.7%
!  PLOG/1.000E+00    -6.76E-04        3.52    45810.0/
!  PLOG/1.000E+00    2.12E-14        7.02    43230.0/                            ! fit btw. 298 and 1300 K with MAE of 69.5%, 325.0%
!  PLOG/1.000E+01    -1.10E-18        8.32    41440.0/
!  PLOG/1.000E+01    6.04E-29       11.73    38830.0/                            ! fit btw. 298 and 1400 K with MAE of 118.0%, 623.3%
!  PLOG/1.000E+02    -1.37E-05        4.68    47700.0/
!  PLOG/1.000E+02    3.79E-11        6.52    46280.0/                            ! fit btw. 298 and 1600 K with MAE of 69.3%, 327.8%

C4H71-3=C4H71-2                                   3.52E-24       10.34    40730.0
  PLOG/1.000E-02    6.71E+67      -18.33    75320.0/
  PLOG/1.000E-02    8.61E+07       -1.12    48400.0/                            ! fit btw. 298 and 1200 K with MAE of 2.7%, 6.3%
  PLOG/1.000E-01    1.77E+45      -10.97    68510.0/
  PLOG/1.000E-01    6.98E-57      -40.39    -172500.0/                          ! fit btw. 298 and 1200 K with MAE of 18.1%, 58.1%
  PLOG/1.000E+00    5.95E-04        4.11    51300.0/
  PLOG/1.000E+00    3.86E-11        1.41    30310.0/                            ! fit btw. 298 and 1400 K with MAE of 102.8%, 416.9%
  PLOG/1.000E+01    1.06E+58      -13.72    85230.0/
  PLOG/1.000E+01    5.47E+59      -14.35    81800.0/                            ! fit btw. 400 and 1500 K with MAE of 12.8%, 32.5%
  PLOG/1.000E+02    1.02E-17        8.58    46070.0/
  PLOG/1.000E+02    8.63E-33        4.90    10010.0/                            ! fit btw. 298 and 1700 K with MAE of 119.7%, 507.5%


C4H71-3<=>C4H71-4                                 +7.59000000E+018 -1.59000000E+000 +5.25740000E+004 !\Author: YANG LI CAUCLATED QRRK !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +5.71000000E+056 -1.35400000E+001 +6.55670000E+004 /
PLOG /                           +1.00000000E+000 +9.57000000E+047 -1.05300000E+001 +6.43290000E+004 /
PLOG /                           +1.00000000E+001 +5.46000000E+032 -5.78000000E+000 +5.87340000E+004 /
PLOG /                           +1.00000000E+002 +7.59000000E+018 -1.59000000E+000 +5.25740000E+004 /

!DONG 0423!C4H71-3<=>C4H72-2                                 +6.76000000E-023 +1.02100000E+001 +4.15742110E+004   !\AUTHOR: !\REF:YANG CALCULATIONS
C4H71-3<=>C4H72-2                                 +8.93000000E-019 +7.85000000E+000 +4.20800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +9.25000000E+062 -1.73200000E+001 +7.16400000E+004 /
PLOG /                           +1.00000000E-002 +6.90000000E+009 -2.04000000E+000 +4.67400000E+004 /
PLOG /                           +1.00000000E-001 +7.09000000E+014 -2.10000000E+000 +5.44700000E+004 /
PLOG /                           +1.00000000E-001 +5.99000000E+007 -4.66000000E+000 +3.51400000E+004 /
PLOG /                           +1.00000000E+000 +2.18000000E+009 +9.00000000E-002 +5.46000000E+004 /
PLOG /                           +1.00000000E+000 +2.20000000E+002 -2.64000000E+000 +3.45100000E+004 /
!PLOG /                           +1.00000000E+001 -9.37000000E+004 +1.35000000E+000 +5.07800000E+004 /
!PLOG /                           +1.00000000E+001 +7.00000000E-008 +5.38000000E+000 +4.77400000E+004 /
PLOG /                           +1.00000000E+001  7.2000E+00	3.20	5.4600E+04  /                    !SD REFIT, WITH MAE BELOW 30%
PLOG /                           +1.00000000E+002 +8.93000000E-019 +7.85000000E+000 +4.20800000E+004 /
PLOG /                           +1.00000000E+002 +6.19000000E+045 -9.97000000E+000 +7.58800000E+004 /

C4H71-3=C2H4+C2H3                                 +3.70000000E+006 +2.13000000E+000 +5.90100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.65000000E+072 -1.83200000E+001 +7.78200000E+004 /
PLOG /                           +1.00000000E-002 +1.83000000E+049 -1.16500000E+001 +6.54100000E+004 /
PLOG /                           +1.00000000E-001 +2.53000000E+070 -1.71400000E+001 +8.05500000E+004 /
PLOG /                           +1.00000000E-001 +3.08000000E+042 -9.35000000E+000 +6.51600000E+004 /
PLOG /                           +1.00000000E+000 +5.29000000E+069 -1.65200000E+001 +8.49000000E+004 /
PLOG /                           +1.00000000E+000 +3.50000000E+029 -5.14000000E+000 +6.30600000E+004 /
!PLOG /                           +1.00000000E+001 -2.34000000E+033 -6.18000000E+000 +6.47800000E+004 /
!PLOG /                           +1.00000000E+001 +3.16000000E+022 -2.54000000E+000 +6.21700000E+004 /
PLOG /                           +1.00000000E+001  4.1500E+25	-3.37	6.5602E+04 /
PLOG /                           +1.00000000E+002 +3.70000000E+006 +2.13000000E+000 +5.90100000E+004 /
PLOG /                           +1.00000000E+002 +3.75000000E+073 -1.68200000E+001 +1.00900000E+005 /

C4H71-3=C3H4-P+CH3                                   3.38E+23       -3.01    71550.0 !HL NEEDS \RefIT
  PLOG/1.000E-02    9.46E+66      -17.67    79000.0/
  PLOG/1.000E-02    3.27E+46      -11.90    67820.0/                            ! fit btw. 298 and 1500 K with MAE of 1.3%, 2.9%
  PLOG/1.000E-01    1.54E+68      -17.39    82810.0/
  PLOG/1.000E-01    1.54E+48      -12.00    70570.0/                            ! fit btw. 298 and 1600 K with MAE of 1.8%, 4.2%
  PLOG/1.000E+00    5.03E+67      -16.68    86580.0/
  PLOG/1.000E+00    1.87E+42       -9.82    71050.0/                            ! fit btw. 298 and 1800 K with MAE of 3.4%, 8.7%
!  PLOG/1.000E+01    -8.92E+43       -9.89    73080.0/
!  PLOG/1.000E+01    2.77E+32       -6.03    70360.0/                            ! fit btw. 298 and 2000 K with MAE of 47.3%, 171.0%
!  PLOG/1.000E+02    -8.76E+27       -4.74    70040.0/
!  PLOG/1.000E+02    7.28E+17       -1.37    67600.0/                            ! fit btw. 298 and 2000 K with MAE of 59.0%, 267.3%

C4H71-3=C3H4-A+CH3                                   8.49E+17       -1.35    71240.0 !HL NEEDS \RefIT
  PLOG/1.000E-02    7.24E+72      -19.31    82050.0/
  PLOG/1.000E-02    9.90E+47      -12.05    69800.0/                            ! fit btw. 298 and 1500 K with MAE of 2.7%, 9.3%
  PLOG/1.000E-01    4.31E+70      -18.00    85150.0/
  PLOG/1.000E-01    6.67E+45      -11.01    71930.0/                            ! fit btw. 298 and 1600 K with MAE of 2.9%, 7.8%
  PLOG/1.000E+00    6.66E+70      -17.50    90140.0/
  PLOG/1.000E+00    3.70E+34       -7.26    70830.0/                            ! fit btw. 298 and 1800 K with MAE of 5.4%, 10.7%
!  PLOG/1.000E+01    -2.15E+40       -8.74    73830.0/
!  PLOG/1.000E+01    4.66E+28       -4.84    71000.0/                            ! fit btw. 298 and 2000 K with MAE of 53.9%, 209.5%
!  PLOG/1.000E+02    -2.49E+22       -3.10    69740.0/
!  PLOG/1.000E+02    2.02E+12        0.27    67290.0/                            ! fit btw. 298 and 2000 K with MAE of 63.7%, 229.4%

C4H71-3=C2H5+C2H2                                   5.61E+22       -2.79    73270.0  !HL NEEDS \RefIT
  PLOG/1.000E-02    5.22E+66      -17.56    80420.0/
  PLOG/1.000E-02    1.65E+55      -14.70    72220.0/                            ! fit btw. 298 and 1500 K with MAE of 2.1%, 6.6%
  PLOG/1.000E-01    3.55E+69      -17.80    84960.0/
  PLOG/1.000E-01    5.00E+51      -13.08    73690.0/                            ! fit btw. 298 and 1600 K with MAE of 2.0%, 5.6%
  PLOG/1.000E+00    4.77E+69      -17.26    89310.0/
  PLOG/1.000E+00    8.89E+43      -10.35    73560.0/                            ! fit btw. 298 and 1800 K with MAE of 3.3%, 7.9%
  PLOG/1.000E+01    1.04E+42       -8.74    79210.0/
  PLOG/1.000E+01    2.81E+35      -10.30    63500.0/                            ! fit btw. 298 and 2000 K with MAE of 39.8%, 131.8%
!  PLOG/1.000E+02    -5.31E+31       -4.51    96530.0/
!  PLOG/1.000E+02    1.29E+11        0.85    69540.0/                            ! fit btw. 298 and 2000 K with MAE of 42.7%, 121.3%

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>RH+RH
!___________________________________________________________________________________________________________ 
C4H71-3+H<=>C4H61-3+H2                               +3.16000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ALLARA, D. L. AND SHAW, R., J. PHYS. CHEM. \Ref. DATA 9, 523(1980) !\Comment: WARNING 
C4H71-3+C2H5<=>C4H61-3+C2H6                          +3.98000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: EDELSON AND ALLARA, 1980 !\Comment: WARNING 
C4H71-3+C2H3<=>C4H61-3+C2H4                          +3.98000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: EDELSON AND ALLARA, 1980 !\Comment: WARNING 
C3H5-A+C4H71-3<=>C3H6+C4H61-3                        +1.46000000E+028 -5.50000000E+000 +7.41000000E+003 !\Author: WARNING !\Ref: FRIDLYAND ET AL. J. PHYS. CHEM. A, 2013, 117, 4762-4776 !\Comment: WARNING 
PLOG /                           +1.00000000E+000 +4.77000000E+040 -9.30000000E+000 +1.24700000E+004 /
PLOG /                           +4.00000000E+000 +3.97000000E+032 -6.80000000E+000 +9.18000000E+003 /
PLOG /                           +1.00000000E+001 +1.46000000E+028 -5.50000000E+000 +7.41000000E+003 /
C4H71-3+C2H5<=>C4H8-1+C2H4                        +2.59000000E+012 +0.00000000E+000 -1.31000000E+002 !\Author: WARNING !\Ref: IN ARAMCO(ESTIMATE) !\Comment: WARNING 
C4H71-3+CH3O<=>C4H8-1+CH2O                        +2.41000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: IN ARAMCO(ESTIMATE) !\Comment: WARNING 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+HO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C4H71-3+HO2<=>C4H72-1OOH                          +7.20000000E+031 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +9.55000000E+030 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +3.15500000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +5.15000000E+044 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +1.39500000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +7.20000000E+031 -6.01000000E+000 +6.05360000E+003 /
C4H71-3+HO2<=>C4H7O2-1+OH                         +1.46500000E+015 -6.84000000E-001 +3.61530000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
!DONG 220623!PLOG /                           +1.00000000E-002 +5.10000000E+012 -1.58000000E-001 -1.41700000E+003 /
!DONG 220623!PLOG /                           +1.00000000E-001 +2.49000000E+014 -6.42000000E-001 -3.49100000E+002 /
!DONG 220623!PLOG /                           +1.00000000E+000 +3.88500000E+017 -1.52000000E+000 +2.37920000E+003 /
!DONG 220623!PLOG /                           +1.00000000E+001 +1.46500000E+015 -6.84000000E-001 +3.61530000E+003 /
!DONG 220623!PLOG /                           +1.00000000E+002 +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 /
C4H71-3+HO2<=>SC3H5CHO+H2O                        +2.53500000E-005 +4.59000000E+000 +9.27500000E+002 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.45000000E-001 +3.01000000E+000 -3.42110000E+003 /
PLOG /                           +1.00000000E-001 +3.17500000E+001 +2.50000000E+000 -2.34140000E+003 /
PLOG /                           +1.00000000E+000 +3.02500000E+005 +1.39000000E+000 +5.95100000E+002 /
PLOG /                           +1.00000000E+001 +1.55000000E+005 +1.59000000E+000 +2.67760000E+003 /
PLOG /                           +1.00000000E+002 +2.53500000E-005 +4.59000000E+000 +9.27500000E+002 /
C4H72-1OOH<=>C4H7O2-1+OH                          +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C4H72-1OOH<=>SC3H5CHO+H2O                         +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.99000000E+050 -1.27000000E+001 +5.35319000E+004 /
PLOG /                           +1.00000000E-001 +4.72000000E+047 -1.15000000E+001 +5.43609000E+004 /
PLOG /                           +1.00000000E+000 +1.50000000E+040 -8.84000000E+000 +5.31792000E+004 /
PLOG /                           +1.00000000E+001 +2.54000000E+028 -5.00000000E+000 +4.99194000E+004 /
PLOG /                           +1.00000000E+002 +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
!C4H71-3+O2<=>C4H6+HO2                             +3.18000000E-003 +4.83000000E+000 +1.26385920E+004 !\Author: YL !\Ref: DIRECT CALCULATION FROM THE STATED AUTHOR !\Comment: WARNING 
!C4H6+HO2<=>C4H71-3+O2          +4.63057462E+005 +1.79971244E+000 +1.24157963E+004  !\Author: SD !\Ref: Zhu, Yuxiang, and Chong-Wen Zhou. Combustion and Flame 221 (2020): 241-255. !\Comment: WARNING 
!PLOG / +1.00000E-002 +4.13013814E-002 +3.67965451E+000 +5.05285640E+003/
!PLOG / +1.00000E-001 +3.59245100E+000 +3.12353157E+000 +6.20481713E+003/
!PLOG / +1.00000E+000 +1.06260168E+004 +2.13767531E+000 +8.46221568E+003/
!PLOG / +1.00000E+001 +1.14233603E+007 +1.30854416E+000 +1.11243122E+004/
!PLOG / +1.00000E+002 +4.63057462E+005 +1.79971244E+000 +1.24157963E+004/
C4H61-3+HO2<=>C4H71-3+O2          +9.26114924E+005 +1.79971244E+000 +1.24157963E+004  !A*2.0 \Author: SD !\Ref: Zhu, Yuxiang, and Chong-Wen Zhou. Combustion and Flame 221 (2020): 241-255. !\Comment: WARNING 
PLOG / +1.00000E-002 +8.26027628E-002 +3.67965451E+000 +5.05285640E+003/
PLOG / +1.00000E-001 +7.18490200E+000 +3.12353157E+000 +6.20481713E+003/
PLOG / +1.00000E+000 +2.12520336E+004 +2.13767531E+000 +8.46221568E+003/
PLOG / +1.00000E+001 +2.28467206E+007 +1.30854416E+000 +1.11243122E+004/
PLOG / +1.00000E+002 +9.26114924E+005 +1.79971244E+000 +1.24157963E+004/

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+HO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C4H71-3+HO2<=>C4H71-3OOH                          +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.91000000E+031 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +6.31000000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +0.53000000E+045 -1.06000000E+001 +7.85150000E+003 / !A*0.5
PLOG /                           +1.00000000E+001 +5.58000000E+037 -7.92000000E+000 +6.49790000E+003 / !A*2.0
PLOG /                           +1.00000000E+002 +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 /
C4H71-3+HO2<=>C4H71-O+OH                          +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
!DONG 220623!PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
!DONG 220623!PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
!DONG 220623!PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
!DONG 220623!PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
!DONG 220623!PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
C4H71-3+HO2<=>C2H3COCH3+H2O                       +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.09000000E+000 +3.01000000E+000 -3.42110000E+003 /
PLOG /                           +1.00000000E-001 +6.35000000E+001 +2.50000000E+000 -2.34140000E+003 /
PLOG /                           +1.00000000E+000 +6.05000000E+005 +1.39000000E+000 +5.95100000E+002 /
PLOG /                           +1.00000000E+001 +3.10000000E+005 +1.59000000E+000 +2.67760000E+003 /
PLOG /                           +1.00000000E+002 +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 /
C4H71-3OOH<=>C4H71-O+OH                           +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C4H71-3OOH<=>C2H3COCH3+H2O                        +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.99000000E+050 -1.27000000E+001 +5.35319000E+004 /
PLOG /                           +1.00000000E-001 +4.72000000E+047 -1.15000000E+001 +5.43609000E+004 /
PLOG /                           +1.00000000E+000 +1.50000000E+040 -8.84000000E+000 +5.31792000E+004 /
PLOG /                           +1.00000000E+001 +2.54000000E+028 -5.00000000E+000 +4.99194000E+004 /
PLOG /                           +1.00000000E+002 +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 /

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+OH<=>PRODUCTS
C4H71-3+O2<=>C4H71-3O2                            +9.14000000E+002 +2.17900000E+000 -2.20000000E+003 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C4H71-3+O2<=>C4H72-1O2                            +4.57000000E+002 +2.17900000E+000 -2.20000000E+003 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C4H71-3+O<=>C2H3CHO+CH3                           +6.03000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: IN ARAMCO(ESTIMATE) !\Comment: WARNING 

!===========================================================================================================
!\ENDSUBSPECIES: C4H71-3
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: C4H71-4
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C4H71-4=C4H72-2                                   1.97E-51       17.52    12760.0
  PLOG/1.000E-02    1.11E-38       12.35    12340.0/
  PLOG/1.000E-02    1.30E-41       11.20    3221.0/                             ! fit btw. 298 and 1200 K with MAE of 99.3%, 229.7%
  PLOG/1.000E-01    1.29E+01       -2.02    16220.0/
  PLOG/1.000E-01    2.03E+63      -17.34    61430.0/                            ! fit btw. 400 and 1200 K with MAE of 1.7%, 2.9%
  PLOG/1.000E+00    2.27E+63      -16.69    66090.0/
  PLOG/1.000E+00    7.23E+45      -18.65    15380.0/                            ! fit btw. 500 and 1300 K with MAE of 1.5%, 2.9%
  PLOG/1.000E+01    1.86E-77       25.28    1647.0/
  PLOG/1.000E+01    2.00E-82       23.30    -13980.0/                           ! fit btw. 298 and 1400 K with MAE of 148.4%, 741.5%
  PLOG/1.000E+02    8.47E+58      -14.16    76880.0/
  PLOG/1.000E+02    5.10E-60       18.26    -323.9/                             ! fit btw. 400 and 1600 K with MAE of 0.8%, 1.8%

C4H71-4=C4H71-2                                   7.91E-39       14.36    16840.0
  PLOG/1.000E-02    1.91E+15       -2.96    35190.0/
  PLOG/1.000E-02    1.65E-10      -11.13    -29160.0/                           ! fit btw. 300 and 1200 K with MAE of 42.4%, 98.3%
  PLOG/1.000E-01    1.93E-50       -5.26    -65330.0/
  PLOG/1.000E-01    3.60E+43      -10.93    49480.0/                            ! fit btw. 298 and 1200 K with MAE of 12.9%, 36.7%
  PLOG/1.000E+00    7.13E-19        8.12    25860.0/
  PLOG/1.000E+00    3.52E-38        1.91    -24960.0/                           ! fit btw. 300 and 1400 K with MAE of 126.0%, 487.2%
  PLOG/1.000E+01    8.09E+63      -15.80    67750.0/
  PLOG/1.000E+01    1.30E+29       -6.19    45710.0/                            ! fit btw. 400 and 1500 K with MAE of 1.9%, 4.9%
  PLOG/1.000E+02    3.13E-52        0.83    -48250.0/
  PLOG/1.000E+02    4.14E+23       -3.73    47680.0/                            ! fit btw. 298 and 1700 K with MAE of 28.1%, 75.1%

C4H71-4=C4H71-1                                   1.80E-60       20.26    9943.0 !HL NEEDS \RefIT
  PLOG/1.000E-02    1.06E-22        5.57    13590.0/
  PLOG/1.000E-02    1.90E+62      -17.40    58210.0/                            ! fit btw. 298 and 1100 K with MAE of 1.2%, 2.6%
  PLOG/1.000E-01    2.32E-71      -12.63    -115100.0/
  PLOG/1.000E-01    6.90E+31       -7.71    47710.0/                            ! fit btw. 298 and 1200 K with MAE of 25.3%, 102.4%
  PLOG/1.000E+00    2.90E-87       -1.68    -102000.0/
  PLOG/1.000E+00    1.20E+61      -15.85    66040.0/                            ! fit btw. 298 and 1300 K with MAE of 3.2%, 9.7%
!  PLOG/1.000E+01    -7.06E-28       10.57    24450.0/
!  PLOG/1.000E+01    1.11E-38       14.01    20940.0/                            ! fit btw. 400 and 1400 K with MAE of 183.5%, 759.3%
!  PLOG/1.000E+02    -8.24E-56       18.67    10090.0/
!  PLOG/1.000E+02    2.51E-66       22.07    7031.0/                             ! fit btw. 298 and 1600 K with MAE of 159.8%, 814.0%

C4H71-4=C3H4-P+CH3                                   3.08E+05        1.81    51690.0 !HL NEEDS \RefIT
  PLOG/1.000E-02    1.82E+57      -15.39    58890.0/
  PLOG/1.000E-02    8.96E+08       -1.15    38360.0/                            ! fit btw. 300 and 1200 K with MAE of 1.0%, 2.3%
!  PLOG/1.000E-01    -8.37E+11       -1.50    39420.0/
!  PLOG/1.000E-01    3.79E+00        2.28    36610.0/                            ! fit btw. 298 and 1300 K with MAE of 75.8%, 268.5%
  PLOG/1.000E+00    5.11E-42      -13.51    -73610.0/
  PLOG/1.000E+00    9.71E+48      -11.69    63620.0/                            ! fit btw. 298 and 1500 K with MAE of 12.1%, 34.9%
  PLOG/1.000E+01    2.54E+60      -14.45    76620.0/
  PLOG/1.000E+01    3.99E+18       -3.07    50990.0/                            ! fit btw. 400 and 1700 K with MAE of 1.8%, 6.7%
  PLOG/1.000E+02    2.19E-58       18.57    14030.0/
  PLOG/1.000E+02    9.29E+52      -11.80    80270.0/                            ! fit btw. 400 and 1900 K with MAE of 6.4%, 27.1%

C4H71-4=C3H4-A+CH3                                   2.82E-09        6.06    40690.0
  PLOG/1.000E-02    5.03E+69      -18.94    63370.0/
  PLOG/1.000E-02    1.37E+39       -9.81    49760.0/                            ! fit btw. 298 and 1200 K with MAE of 1.9%, 6.1%
  PLOG/1.000E-01    5.87E+72      -19.25    67740.0/
  PLOG/1.000E-01    2.59E+17       -2.62    44690.0/                            ! fit btw. 300 and 1300 K with MAE of 4.8%, 15.0%
  PLOG/1.000E+00    5.39E+53      -12.88    63970.0/
  PLOG/1.000E+00    7.57E+25       -7.65    37760.0/                            ! fit btw. 400 and 1500 K with MAE of 9.0%, 22.2%
  PLOG/1.000E+01    2.29E+05        1.88    45960.0/
  PLOG/1.000E+01    7.04E-01       -0.00    30040.0/                            ! fit btw. 298 and 1700 K with MAE of 94.4%, 285.6%
  PLOG/1.000E+02    1.03E-50       17.13    20000.0/
  PLOG/1.000E+02    7.54E+37       -7.38    65950.0/                            ! fit btw. 300 and 1900 K with MAE of 16.9%, 45.3%

C4H71-4=C2H5+C2H2                                   5.89E+10        0.28    56560.0
  PLOG/1.000E-02    2.77E+51      -13.61    57770.0/
  PLOG/1.000E-02    4.75E+22       -9.24    31530.0/                            ! fit btw. 300 and 1200 K with MAE of 5.7%, 14.0%
  PLOG/1.000E-01    2.91E+54      -13.90    62690.0/
  PLOG/1.000E-01    3.30E-91      -74.92    -344100.0/                          ! fit btw. 298 and 1300 K with MAE of 5.9%, 10.8%
  PLOG/1.000E+00    1.65E-40       13.20    21890.0/
  PLOG/1.000E+00    4.22E+58      -14.54    69930.0/                            ! fit btw. 300 and 1500 K with MAE of 3.6%, 9.0%
  PLOG/1.000E+01    2.59E-06        4.84    44050.0/
  PLOG/1.000E+01    3.89E-10        3.37    31530.0/                            ! fit btw. 298 and 1700 K with MAE of 125.0%, 469.5%
  PLOG/1.000E+02    4.46E+54      -12.30    82980.0/
  PLOG/1.000E+02    9.42E-49       15.87    21420.0/                            ! fit btw. 400 and 1900 K with MAE of 6.3%, 26.4%

C4H71-4=C2H4+C2H3                                 +1.69000000E+047 -9.72000000E+000 +5.95200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.97000000E+070 -1.82800000E+001 +5.85500000E+004 /
PLOG /                           +1.00000000E-002 +6.59000000E+040 -9.38000000E+000 +4.50100000E+004 /
PLOG /                           +1.00000000E-001 +6.16000000E+062 -1.53800000E+001 +5.79300000E+004 /
PLOG /                           +1.00000000E-001 +1.01000000E+038 -8.30000000E+000 +4.47700000E+004 /
PLOG /                           +1.00000000E+000 +3.18000000E+057 -1.33800000E+001 +5.83600000E+004 /
PLOG /                           +1.00000000E+000 +4.58000000E+033 -6.76000000E+000 +4.40400000E+004 /
PLOG /                           +1.00000000E+001 +1.48000000E+052 -1.14500000E+001 +5.87600000E+004 /
PLOG /                           +1.00000000E+001 +8.26000000E+027 -4.77000000E+000 +4.29100000E+004 /
PLOG /                           +1.00000000E+002 +1.69000000E+047 -9.72000000E+000 +5.95200000E+004 /
PLOG /                           +1.00000000E+002 +2.33000000E+022 -2.88000000E+000 +4.17500000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
!DONG 0917!C4H71-4+O2<=>C4H6+HO2                             +1.00000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: !JET SURF 2.0, ADD 2505 KWZ !\Comment: WARNING 
C4H61-3+HO2<=>C4H71-4+O2          +1.73587543E-003 +4.38667074E+000 +2.19440390E+004  !\Author: SD !\Ref: Zhu, Yuxiang, and Chong-Wen Zhou. Combustion and Flame 221 (2020): 241-255. !\Comment: WARNING 
PLOG / +1.00000E-002 +2.47020586E+012 -2.57973947E-001 +2.19418665E+004/
PLOG / +1.00000E-001 +5.16985283E+014 -9.03651369E-001 +2.37507462E+004/
PLOG / +1.00000E+000 +5.87458617E+014 -8.47767725E-001 +2.54214248E+004/
PLOG / +1.00000E+001 +1.70810660E+008 +1.14940020E+000 +2.47131088E+004/
PLOG / +1.00000E+002 +1.73587543E-003 +4.38667074E+000 +2.19440390E+004/
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C4H71-4+O2<=>C4H71-4O2                            +6.86500000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H71-4+HO2<=>C4H7O1-4+OH                         +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H71-4+CH3O2<=>C4H7O1-4+CH3O                     +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!___________________________________________________________________________________________________________ 
!===========================================================================================================
!\ENDSUBSPECIES: C4H71-4
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C4H71-1O2<=>HCO+C2H5CHO                           +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.66000000E+174 -5.55200000E+001 +6.03200000E+004 /
PLOG /                           +1.00000000E-002 +2.27000000E+035 -7.97000000E+000 +3.12800000E+004 /
PLOG /                           +1.00000000E-001 +9.03000000E+066 -1.72500000E+001 +4.81200000E+004 /
PLOG /                           +1.00000000E-001 +2.08000000E+026 -4.96000000E+000 +2.87800000E+004 /
PLOG /                           +1.00000000E+000 +8.64000000E+033 -6.88000000E+000 +3.43700000E+004 /
PLOG /                           +1.00000000E+000 +1.06000000E+130 -3.93800000E+001 +5.47000000E+004 /
PLOG /                           +1.00000000E+001 +1.03000000E+032 -6.06000000E+000 +3.55000000E+004 /
PLOG /                           +1.00000000E+001 +2.18000000E+175 -5.37800000E+001 +6.85000000E+004 /
PLOG /                           +1.00000000E+002 +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+002 +4.68000000E+002 +1.81000000E+000 +1.81000000E+004 /
C4H71-1O2=>H+CO+C2H5CHO                           +1.33000000E+030 -5.19000000E+000 +3.68000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.88000000E+174 -5.55200000E+001 +6.03200000E+004 /
PLOG /                           +1.00000000E-002 +5.29000000E+035 -7.97000000E+000 +3.12800000E+004 /
PLOG /                           +1.00000000E-001 +2.11000000E+067 -1.72500000E+001 +4.81200000E+004 /
PLOG /                           +1.00000000E-001 +4.85000000E+026 -4.96000000E+000 +2.87800000E+004 /
PLOG /                           +1.00000000E+000 +2.02000000E+034 -6.88000000E+000 +3.43700000E+004 /
PLOG /                           +1.00000000E+000 +2.46000000E+130 -3.93800000E+001 +5.47000000E+004 /
PLOG /                           +1.00000000E+001 +2.40000000E+032 -6.06000000E+000 +3.55000000E+004 /
PLOG /                           +1.00000000E+001 +5.09000000E+175 -5.37800000E+001 +6.85000000E+004 /
PLOG /                           +1.00000000E+002 +1.33000000E+030 -5.19000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+002 +1.09000000E+003 +1.81000000E+000 +1.81000000E+004 /
C4H71-1O2<=>C3H6CHO-1+O                           +4.30000000E+048 -1.03100000E+001 +5.60900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.70000000E+180 -4.81900000E+001 +1.69300000E+005 /
PLOG /                           +1.00000000E-002 +1.47000000E+030 -6.64000000E+000 +4.11100000E+004 /
PLOG /                           +1.00000000E-001 +3.90000000E+038 -8.69000000E+000 +4.27700000E+004 /
PLOG /                           +1.00000000E-001 +9.65000000E-012 +5.96000000E+000 +2.28900000E+004 /
PLOG /                           +1.00000000E+000 +7.62000000E+081 -2.12800000E+001 +6.50800000E+004 /
PLOG /                           +1.00000000E+000 +2.39000000E+033 -6.62000000E+000 +4.12800000E+004 /
PLOG /                           +1.00000000E+001 +2.02000000E+055 -1.26900000E+001 +5.58400000E+004 /
PLOG /                           +1.00000000E+001 +2.13000000E+029 -5.10000000E+000 +4.07100000E+004 /
PLOG /                           +1.00000000E+002 +4.30000000E+048 -1.03100000E+001 +5.60900000E+004 /
PLOG /                           +1.00000000E+002 +5.99000000E+025 -3.85000000E+000 +4.01200000E+004 /
C4H71-2O2<=>CH2O+C2H5CO                           +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.66000000E+174 -5.55200000E+001 +6.03200000E+004 /
PLOG /                           +1.00000000E-002 +2.27000000E+035 -7.97000000E+000 +3.12800000E+004 /
PLOG /                           +1.00000000E-001 +9.03000000E+066 -1.72500000E+001 +4.81200000E+004 /
PLOG /                           +1.00000000E-001 +2.08000000E+026 -4.96000000E+000 +2.87800000E+004 /
PLOG /                           +1.00000000E+000 +8.64000000E+033 -6.88000000E+000 +3.43700000E+004 /
PLOG /                           +1.00000000E+000 +1.06000000E+130 -3.93800000E+001 +5.47000000E+004 /
PLOG /                           +1.00000000E+001 +1.03000000E+032 -6.06000000E+000 +3.55000000E+004 /
PLOG /                           +1.00000000E+001 +2.18000000E+175 -5.37800000E+001 +6.85000000E+004 /
PLOG /                           +1.00000000E+002 +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+002 +4.68000000E+002 +1.81000000E+000 +1.81000000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>QOOH
!___________________________________________________________________________________________________________ 
!DONG 0917!C4H71-4O2<=>C4H61-3OOH4                           +9.32000000E-012 +6.54000000E+000 +1.41200000E+004 !\Author: SD !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
!DONG 0917!C4H71-4O2<=>C4H6+HO2                              +7.08000000E+005 +2.05000000E+000 +2.46400000E+004 !\Author: SD !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 

C4H71-4O2<=>C4H61-3OOH4        +9.17708784E-021 +8.87194437E+000 +8.96525148E+003  !\Author: SD !\Ref: Zhu, Yuxiang, and Chong-Wen Zhou. Combustion and Flame 221 (2020): 241-255. !\Comment: WARNING 
PLOG / +1.00000E-002 +2.82159947E+017 -4.37871981E+000 +1.51039636E+004/
PLOG / +1.00000E-001 +1.59189121E+003 +5.97134819E-001 +1.24892852E+004/
PLOG / +1.00000E+000 +1.04715824E-011 +5.51955748E+000 +9.80582472E+003/
PLOG / +1.00000E+001 +1.17480766E-022 +9.29918829E+000 +7.67869962E+003/
PLOG / +1.00000E+002 +9.17708784E-021 +8.87194437E+000 +8.96525148E+003/

C4H61-3+HO2<=>C4H71-4O2           +1.66900621E+004 +1.84874606E+000 +1.20751277E+004  !\Author: SD !\Ref: Zhu, Yuxiang, and Chong-Wen Zhou. Combustion and Flame 221 (2020): 241-255. !\Comment: WARNING 
PLOG / +1.00000E-002 +5.30151185E+028 -7.06576155E+000 +1.54591282E+004/
PLOG / +1.00000E-001 +1.57876290E+023 -4.67524647E+000 +1.58720733E+004/
PLOG / +1.00000E+000 +4.92940476E+014 -1.65484391E+000 +1.44994165E+004/
PLOG / +1.00000E+001 +2.63152010E+007 +7.80051592E-001 +1.28077000E+004/
PLOG / +1.00000E+002 +1.66900621E+004 +1.84874606E+000 +1.20751277E+004/



C4H71-3O2<=>C4H72OO1-3                            +8.51000000E-012 +6.82000000E+000 +1.84200000E+004 !C5H91-3O2<=>C5H92OO1-3 \Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
C4H71-3O2<=>C4H71OO2-3                            +2.8890E+27	-4.81	3.1835E+04  !C5H91-3O2<=>C5H91OO2-3, REFIT, RATE AT HIGH TEMPERAITRE BELOW 1.0E14 \AUTHOR: SD !\REF: Sun, Xiaohui, et al. Physical Chemistry Chemical Physics 21.20 (2019): 10693-10705.
C4H72OO1-3<=>C4H7O1-2O-3                          +1.25000000E+010 +8.42000000E-001 +2.88000000E+004 !C5H92OO1-3<=>C5H9O1-2O-3 \Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C4H72OO1-3<=>C4H7O2-3O-1                          +4.34000000E+010 +7.79000000E-001 +2.99000000E+004 !C5H92OO1-3<=>C5H9O2-3O-1 \Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C4H71OO2-3<=>C4H7O1-2O-3                          +1.15000000E+011 +3.53000000E-001 +1.33000000E+004 !C5H91OO2-3<=>C5H9O1-2O-3 \Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C4H7O1-2O-3<=>C2H3O1-2+CH3CHO                     +3.27000000E+009 +5.86000000E-001 +9.20000000E+003 !C5H9O1-2O-3<=>C2H3O1-2+C2H5CHO \Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C4H7O1-2O-3<=>CYC2H3OCHO+CH3                      +5.51000000E+022 -2.76000000E+000 +1.39800000E+004 !C5H9O1-2O-3<=>CYC2H3OCHO+C2H5 \Author: WARNING !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 
C4H7O2-3O-1<=>CCYCCJO+CH2O                        +3.11000000E+012 +1.21000000E-001 +1.59000000E+004 !C5H9O2-3O-1<=>C3H6CHO-1+CH2O \Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 

C4H71-4O2<=>C4H72OO1-4                             3.4890E+21	-3.21	1.9535E+04 !C5H91-4O2<=>C5H92OO1-4, REFIT, RATE AT HIGH TEMPERAITRE BELOW 1.0E14 \Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
C4H71-4O2<=>C4H71OO2-4                            +9.85000000E-004 +4.32000000E+000 +8.66000000E+003 !C5H91-4O2<=>C5H91OO2-4 \Author: SD !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
C4H72OO1-4<=>C4H7O1-2O-4                          +1.01000000E+010 +9.61000000E-001 +2.07000000E+004 !C5H92OO1-4<=>C5H9O1-2O-4\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C4H71OO2-4<=>C4H7O1-2O-4                          +8.21000000E+010 +4.38000000E-001 +1.29000000E+004 !C5H91OO2-4<=>C5H9O1-2O-4\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C4H7O1-2O-4<=>CJCYCCO+CH2O                        +4.61000000E+009 +1.21300000E+000 +9.90000000E+003 !C5H9O1-2O-4<=>CH2CHOCH2+CH3CHO \Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 


!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C4H71-4O2+HO2<=>C4H71-4OOH+O2                     +1.75000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O<=>PRODUCTS
!___________________________________________________________________________________________________________ 
!___________________________________________________________________________________________________________ 
!___________________________________________________________________________________________________________ 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+HO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C4H71-4OOH<=>C4H7O1-4+OH                          +1.50000000E+016 +0.00000000E+000 +4.25000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ISOMERISATION
!___________________________________________________________________________________________________________ 
C4H71-O<=>AC3H5OCH2                               +1.35000000E+018 -1.73000000E+000 +1.73865000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325? 3346 !\Comment: WARNING 
C4H71-O<=>CH2CH2COCH3                             +1.67000000E+021 -2.74000000E+000 +2.03377000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325? 3346 !\Comment: WARNING 
AC3H5OCH2<=>CH2CH2COCH3                           +2.51000000E+020 -2.63000000E+000 +2.92884000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325? 3346 !\Comment: WARNING 
C4H7O2-1<=>SC3H5OCH2-1                            +1.35000000E+018 -1.73000000E+000 +1.73865000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325? 3346 !\Comment: WARNING 
C4H7O2-1<=>C3H6CHO-2                              +1.67000000E+021 -2.74000000E+000 +2.03377000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325? 3346 !\Comment: WARNING 
SC3H5OCH2-1<=>C3H6CHO-2                           +2.51000000E+020 -2.63000000E+000 +2.92884000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325? 3346 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C4H7O2-1<=>CH2O+C3H5-S                            +8.52000000E+025 -3.61000000E+000 +2.78634000E+004 !C5H9O2-1<=>CH2O+C4H71-1 \Author: SD !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325-3346 !\Comment: WARNING 
C4H7O2-1<=>SC3H5CHO+H                             +2.57000000E+020 -2.06000000E+000 +2.20401000E+004 !C5H9O2-1<=>C4H7CHO-2+H \Author: SD !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325-3346 !\Comment: WARNING 
C4H7O2-1<=>C3H6+HCO                               +4.75000000E+008 +1.14000000E+000 +2.09225000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325? 3346 !\Comment: WARNING 

SC3H5OCH2-1<=>C3H5-S+CH2O                         +8.81000000E+014 -3.26000000E-001 +3.15531000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325? 3346 !\Comment: WARNING 
SC3H5OCH2-1<=>SC3H5CHO+H                          +3.98000000E+018 -1.62000000E+000 +3.01298000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325? 3346 !\Comment: WARNING 
SC3H5OCH2-1<=>C3H6+HCO                            +3.73000000E+014 -7.26000000E-001 +3.20083000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325? 3346 !\Comment: WARNING 
C3H6CHO-2<=>C3H5-S+CH2O                           +1.93000000E+019 -1.94000000E+000 +4.84400000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325? 3346 !\Comment: WARNING 
C3H6CHO-2<=>SC3H5CHO+H                            +4.52000000E+012 +2.14000000E-001 +3.45705000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325? 3346 !\Comment: WARNING 
C3H6CHO-2<=>C3H6+HCO                              +1.59000000E+013 +6.30000000E-002 +2.40863000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325? 3346 !\Comment: WARNING 
C4H71-O<=>C2H3COCH3+H                             +2.57000000E+020 -2.06000000E+000 +2.20401000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325? 3346 !\Comment: WARNING 
!DONG 0504!C4H71-O<=>C2H4+CH3CO                              +4.75000000E+008 +1.14000000E+000 +2.09225000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325? 3346 !\Comment: WARNING 
C4H71-O<=>C2H3CHO+CH3                             +4.38000000E+016 -8.90000000E-001 +1.65300000E+004 !C5H9O2-4<=>SC3H5CHO+CH3\Author: WARNING !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 
C4H71-O<=>C2H3+CH3CHO                             +8.52000000E+025 -3.61000000E+000 +2.38634000E+004 !C5H9O2-4<=>CH3CHO+C3H5-S\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325-3346 !\Comment: WARNING 

C4H7O1-4<=>C3H5-A+CH2O                            +1.33000000E+021 -2.30000000E+000 +2.50840000E+004 !C5H92-5O=C4H71-3+CH2O \Author: SD !\Ref: WARNING !\Comment: WARNING 
!
AC3H5OCH2<=>C3H5-A+CH2O                           +8.81000000E+014 -3.26000000E-001 +3.15531000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325? 3346 !\Comment: WARNING 
AC3H5OCH2<=>C2H3COCH3+H                           +3.98000000E+018 -1.62000000E+000 +3.01298000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325? 3346 !\Comment: WARNING 
AC3H5OCH2<=>C3H6+HCO                              +3.73000000E+014 -7.26000000E-001 +3.20083000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325? 3346 !\Comment: WARNING 
CH2CH2COCH3<=>C2H3+CH3CHO                         +1.93000000E+019 -1.94000000E+000 +4.84400000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325? 3346 !\Comment: WARNING 
CH2CH2COCH3<=>C2H3COCH3+H                         +4.52000000E+012 +2.14000000E-001 +3.45705000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325? 3346 !\Comment: WARNING 
CH2CH2COCH3<=>C2H4+CH3CO                          +1.59000000E+013 +6.30000000E-002 +2.40863000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325? 3346 !\Comment: WARNING 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C4H8-1
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C4H6-1
!\MECHCOMMENTS: 2-BUTYNE SUBMECHANISM HAS LITTLE TO NO CHEMISTRY. 1-BUTYNE IS COMPLETELY ABSENT. KPS UPDATED MANY REACTIONS IN C4 MECHANISM AS PART OF FURANS WORK. THIS SHOULD BE INCORPORATED INTO MECHANISM WITH CWZ /YL WORK
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 

C4H6-1=C4H612	2.50E+13	0	65000  !HIDAKA1993
C4H6-1<=>C4H61-3       4.57088E+75	-18.28	109600 !LOCKHART2017 a*2
PLOG /	0.039473684	5.90242E+74	-18.27	103900 / 
PLOG /	0.078947368	11.24682E+88	-22.07	118200 /
PLOG /	0.157894737	7.43070E+68	-16.45	101700 /
PLOG /	0.315789474	9.14176E+75	-18.28	109600 /
C4H6-1=>CH3+C3H3  1.349E+116	-28.77	140500  !LOCKHART QM *0.8
!PLOG /	0.039473684	2.04174E+63	-14.64	87800  /
!PLOG /	0.078947368	8.12831E+86	-20.97	111000 /
!PLOG /	0.157894737	1.349E+116	-28.77	140500 /
!PLOG /	0.315789474	2.51189E+74	-17.21	104500 /
PLOG /	0.039473684	3.71535E+76	-18	    106700 /
PLOG /	0.078947368	3.80189E+76	-17.9	107700 /
PLOG /	0.157894737	2.18776E+76	-17.73	108600 /
PLOG /	0.315789474	5.047656E+75	-17.48	109400 /

C4H6-1=C4H5-3+H  3.96568E24 -2.77435 9.2816E4 !AUTHOR: HL          !ANALOGY TO C3H3+H=C3H4-P REDUCE 2KCAL.
PLOG/3.95E-2 1.34957E37 -6.9844 9.5594E4/
PLOG/1.0E0 2.95124E30 -4.6844 9.4416E4/
PLOG/1.0E1 3.96568E24 -2.77435 9.2816E4/

C4H5-4+H(+M)=C4H6-1(+M) 3.6E13 0.0 0.0E0        !ANALOGY TO 1-BUTENE:C4H71-4+H(+M)=C4H8-1(+M)
    AR/0.7/
    H2/2.0/
    CH4/2.0/
    C2H6/3.0/
    LOW/3.01E48 -9.32E0 5.8336E3/
    TROE/4.98E-1 1.314E3 1.314E3 5.0E4/
C4H6-1=C2H+C2H5  1.21797E21 -1.12322 1.26267E5         ! AUTHOR: HL,  ANALOGY TO C2H+CH3=C3H4-P,reverse rate should reduce 1kcal;
!____________________________________________________________________________________________________________
!\REACTION CLASS: H ADDITION
!___________________________________________________________________________________________________________
C4H61-3+H=C4H6-1+H                                   6.13E+08        1.76    29560.0   !YL 2017 QM
  PLOG/1.000E-02    6.67E+12        0.24    24190.0/
  PLOG/1.000E-02    6.32E+14       -0.54    20230.0/                            ! fit btw. 298 and 2200 K with MAE of 0.1%, 0.4%
  PLOG/1.000E-01    3.02E+35       -6.88    30030.0/
  PLOG/1.000E-01    8.38E+12        0.20    21870.0/                            ! fit btw. 298 and 2200 K with MAE of 0.2%, 0.3%
  PLOG/1.000E+00    8.00E+35       -6.56    34620.0/
  PLOG/1.000E+00    7.05E+11        0.57    23970.0/                            ! fit btw. 298 and 2200 K with MAE of 1.0%, 2.1%
  PLOG/1.000E+01    3.68E+36       -6.43    40180.0/
  PLOG/1.000E+01    6.79E+05        2.32    24280.0/                            ! fit btw. 298 and 2200 K with MAE of 1.1%, 3.3%
  PLOG/1.000E+02    5.17E+28       -3.91    41770.0/
  PLOG/1.000E+02    1.35E+19       -2.70    28190.0/                            ! fit btw. 298 and 2200 K with MAE of 9.7%, 23.4%
  C4H612+H=C4H6-1+H                                   2.79E+07        2.10    11800.0
  PLOG/1.000E-02    1.41E+12        0.44    10460.0/
  PLOG/1.000E-02    4.97E+09        1.16    6696.0/                             ! fit btw. 298 and 2200 K with MAE of 0.1%, 0.3%
  PLOG/1.000E-01    9.60E+47      -10.79    23320.0/
  PLOG/1.000E-01    1.88E+11        0.79    8439.0/                             ! fit btw. 298 and 2200 K with MAE of 0.3%, 1.4%
  PLOG/1.000E+00    4.36E+22       -2.55    15160.0/
  PLOG/1.000E+00    6.60E+04        2.63    7122.0/                             ! fit btw. 298 and 2200 K with MAE of 1.0%, 2.0%
  PLOG/1.000E+01    7.67E+28       -4.21    21310.0/
  PLOG/1.000E+01    2.32E+04        2.78    8300.0/                             ! fit btw. 298 and 2200 K with MAE of 0.7%, 1.8%
  PLOG/1.000E+02    5.77E+27       -3.69    24700.0/
  PLOG/1.000E+02    6.74E+02        3.09    8605.0/                             ! fit btw. 298 and 2200 K with MAE of 2.4%, 9.3%
C4H6-2+H=C4H6-1+H                                   6.70E+06        1.68    28900.0
  PLOG/1.000E-02    4.72E+04        1.93    19320.0/
  PLOG/1.000E-02    2.62E-03        3.76    11820.0/                            ! fit btw. 298 and 2200 K with MAE of 0.7%, 1.8%
  PLOG/1.000E-01    1.11E+02        2.59    15520.0/
  PLOG/1.000E-01    3.09E+12       -0.22    28580.0/                            ! fit btw. 298 and 2200 K with MAE of 0.1%, 0.4%
  PLOG/1.000E+00    6.43E+38       -8.59    33910.0/
  PLOG/1.000E+00    1.63E+05        1.83    19650.0/                            ! fit btw. 298 and 2200 K with MAE of 0.7%, 3.3%
  PLOG/1.000E+01    3.80E+23       -3.41    32590.0/
  PLOG/1.000E+01    4.07E+00        3.19    21300.0/                            ! fit btw. 298 and 2200 K with MAE of 0.7%, 1.6%
  PLOG/1.000E+02    1.05E+26       -3.80    40540.0/
  PLOG/1.000E+02    8.23E-04        4.12    23270.0/                            ! fit btw. 298 and 2200 K with MAE of 2.8%, 9.0%
C4H6-1+H=C4H71-3                                   1.12E+25       -3.68    17140.0
  PLOG/1.000E-02    2.55E+63      -16.97    21360.0/
  PLOG/1.000E-02    6.27E+52      -14.30    13570.0/                            ! fit btw. 298 and 1500 K with MAE of 1.3%, 4.9%
  PLOG/1.000E-01    1.94E+67      -17.44    26480.0/
  PLOG/1.000E-01    1.43E+52      -13.49    16280.0/                            ! fit btw. 298 and 1600 K with MAE of 2.1%, 5.8%
  PLOG/1.000E+00    5.50E+67      -16.94    31160.0/
  PLOG/1.000E+00    2.27E+44      -10.69    16460.0/                            ! fit btw. 298 and 1800 K with MAE of 3.7%, 7.9%
!  PLOG/1.000E+01    -7.02E+56      -13.75    24220.0/
!  PLOG/1.000E+01    3.56E+45      -10.09    20920.0/                            ! fit btw. 298 and 2000 K with MAE of 21.6%, 54.2%
!  PLOG/1.000E+02    -3.87E+49      -11.36    24610.0/
!  PLOG/1.000E+02    2.05E+32       -5.84    19170.0/                            ! fit btw. 298 and 2200 K with MAE of 41.3%, 131.0%
  PLOG/1.000E+01    8.47E+36       -7.51    18840.0/                            ! fit btw. 298 and 2000 K with MAE of 61.5%, 184.1%
  PLOG/1.000E+02    1.12E+25       -3.68    17140.0/                            ! fit btw. 298 and 2200 K with MAE of 77.4%, 272.6%

C4H6-1+H=C4H71-4                                   5.75E+15       -0.91    12640.0
  PLOG/1.000E-02    2.74E+59      -16.02    18850.0/
  PLOG/1.000E-02    2.58E+44      -11.80    10750.0/                            ! fit btw. 298 and 1200 K with MAE of 1.4%, 4.9%
  PLOG/1.000E-01    1.00E+78      -20.99    29530.0/
  PLOG/1.000E-01    1.32E+39       -9.28    12220.0/                            ! fit btw. 298 and 1300 K with MAE of 2.3%, 7.4%
  PLOG/1.000E+00    2.76E+67      -17.03    29570.0/
  PLOG/1.000E+00    8.79E+32       -7.00    12530.0/                            ! fit btw. 298 and 1500 K with MAE of 3.3%, 8.6%
  PLOG/1.000E+01    3.95E+58      -13.78    30900.0/
  PLOG/1.000E+01    2.40E+23       -3.90    11290.0/                            ! fit btw. 298 and 1700 K with MAE of 5.2%, 12.3%
  PLOG/1.000E+02    8.54E+51      -11.32    33890.0/
  PLOG/1.000E+02    7.71E+10        0.11    9160.0/                             ! fit btw. 298 and 1900 K with MAE of 8.5%, 21.3%

C4H6-1+H=C4H72-2                                   1.42E+05        1.28    16430.0
  PLOG/1.000E-02    2.72E+76      -23.13    29470.0/
  PLOG/1.000E-02    1.97E+34      -10.17    11780.0/                            ! fit btw. 298 and 1200 K with MAE of 0.4%, 0.7%
!  PLOG/1.000E-01    -1.23E+45      -13.88    13720.0/
!  PLOG/1.000E-01    9.64E+33       -9.44    13970.0/                            ! fit btw. 298 and 1200 K with MAE of 104.4%, 250.6%
!  PLOG/1.000E+00    -2.34E+42      -12.66    14490.0/
!  PLOG/1.000E+00    1.72E+31       -7.82    16560.0/                            ! fit btw. 298 and 1300 K with MAE of 290.2%, 1345.6%
  PLOG/1.000E-01    1.29E+40      -11.11    16940.0/                            ! fit btw. 298 and 1200 K with MAE of 10.0%, 23.5%
  PLOG/1.000E+00    1.42E+37       -9.45    19900.0/                            ! fit btw. 298 and 1300 K with MAE of 16.2%, 40.1%
  PLOG/1.000E+01    1.65E+53      -13.48    33700.0/
  PLOG/1.000E+01    5.36E+28       -6.78    19520.0/                            ! fit btw. 298 and 1400 K with MAE of 1.8%, 4.3%
  PLOG/1.000E+02    1.03E+43       -9.83    35530.0/
  PLOG/1.000E+02    1.13E-08        4.28    8039.0/                             ! fit btw. 298 and 1600 K with MAE of 7.2%, 19.2%

C4H6-1+H=C4H71-2                                   3.71E+24       -3.26    6881.0
  PLOG/1.000E-02    1.02E+69      -18.09    20060.0/
  PLOG/1.000E-02    2.42E+48      -12.03    9913.0/                             ! fit btw. 298 and 1200 K with MAE of 0.3%, 0.7%
  PLOG/1.000E-01    7.60E+65      -16.57    20830.0/
  PLOG/1.000E-01    1.77E+48      -11.71    10600.0/                            ! fit btw. 298 and 1200 K with MAE of 0.5%, 1.5%
  PLOG/1.000E+00    3.57E+63      -15.39    22530.0/
  PLOG/1.000E+00    9.14E+42       -9.77    9892.0/                             ! fit btw. 298 and 1400 K with MAE of 1.4%, 3.5%
  PLOG/1.000E+01    5.60E+58      -13.53    23420.0/
  PLOG/1.000E+01    2.49E+34       -6.81    8198.0/                             ! fit btw. 298 and 1500 K with MAE of 2.8%, 6.3%
  PLOG/1.000E+02    1.61E+53      -11.53    24150.0/
  PLOG/1.000E+02    1.55E+27       -4.34    6715.0/                             ! fit btw. 298 and 1700 K with MAE of 4.2%, 10.0%

C4H6-1+H=C4H71-1                                   1.44E+25       -3.61    8435.0
  PLOG/1.000E-02    1.71E+66      -17.38    20110.0/
  PLOG/1.000E-02    2.99E+50      -12.93    11600.0/                            ! fit btw. 298 and 1100 K with MAE of 0.3%, 0.7%
  PLOG/1.000E-01    1.01E+66      -16.83    21900.0/
  PLOG/1.000E-01    1.31E+48      -11.86    11850.0/                            ! fit btw. 298 and 1200 K with MAE of 0.5%, 1.2%
  PLOG/1.000E+00    5.97E+63      -15.70    23390.0/
  PLOG/1.000E+00    2.38E+43      -10.10    11270.0/                            ! fit btw. 298 and 1300 K with MAE of 1.0%, 2.4%
  PLOG/1.000E+01    1.61E+59      -13.91    24180.0/
  PLOG/1.000E+01    2.82E+35       -7.35    9739.0/                             ! fit btw. 298 and 1400 K with MAE of 2.3%, 5.1%
  PLOG/1.000E+02    1.53E+53      -11.75    24460.0/
  PLOG/1.000E+02    1.54E+28       -4.85    8267.0/                             ! fit btw. 298 and 1600 K with MAE of 3.6%, 9.1%

C4H6-1+H=C2H4+C2H3                                   3.64E+06        2.23    16170.0
  PLOG/1.000E-02    2.48E+16       -1.12    14690.0/
  PLOG/1.000E-02    3.01E+07        1.54    5818.0/                             ! fit btw. 298 and 2200 K with MAE of 0.0%, 0.1%
  PLOG/1.000E-01    1.22E+33       -6.48    16830.0/
  PLOG/1.000E-01    1.41E+10        0.83    8476.0/                             ! fit btw. 298 and 2200 K with MAE of 0.1%, 0.3%
  PLOG/1.000E+00    2.56E+30       -5.15    19860.0/
  PLOG/1.000E+00    7.32E+08        1.26    10350.0/                            ! fit btw. 298 and 2200 K with MAE of 1.0%, 2.3%
  PLOG/1.000E+01    6.86E+32       -5.54    25980.0/
  PLOG/1.000E+01    3.21E+03        2.82    10900.0/                            ! fit btw. 298 and 2200 K with MAE of 1.0%, 2.7%
  PLOG/1.000E+02    1.12E+10        1.27    18890.0/
  PLOG/1.000E+02    2.00E+03        0.41    5207.0/                             ! fit btw. 298 and 2200 K with MAE of 36.7%, 105.7%
C4H6-1+H=C3H4-P+CH3                                   1.41E+09        0.94    24130.0
  PLOG/1.000E-02    3.19E+06        1.32    14010.0/
  PLOG/1.000E-02    2.23E+00        2.86    7182.0/                             ! fit btw. 298 and 2200 K with MAE of 0.5%, 1.2%
  PLOG/1.000E-01    2.72E+12       -0.27    22380.0/
  PLOG/1.000E-01    7.41E+05        1.40    11170.0/                            ! fit btw. 298 and 2200 K with MAE of 0.2%, 0.7%
  PLOG/1.000E+00    1.63E+37       -8.11    27220.0/
  PLOG/1.000E+00    4.08E+07        1.06    14870.0/                            ! fit btw. 298 and 2200 K with MAE of 0.4%, 2.1%
  PLOG/1.000E+01    1.02E+27       -4.48    28290.0/
  PLOG/1.000E+01    2.23E+03        2.34    16700.0/                            ! fit btw. 298 and 2200 K with MAE of 0.7%, 1.4%
  PLOG/1.000E+02    2.28E+28       -4.54    35780.0/
  PLOG/1.000E+02    1.68E-01        3.38    18500.0/                            ! fit btw. 298 and 2200 K with MAE of 2.8%, 9.0%
C4H6-1+H=C3H4-A+CH3                                   2.77E+10        1.24    9239.0 !A*0.333
  PLOG/1.000E-02    1.293E+25       -3.70    8265.0/
  PLOG/1.000E-02    0.5583E+14        0.04    4601.0/                             ! fit btw. 298 and 2200 K with MAE of 0.1%, 0.3%
  PLOG/1.000E-01    1.323E+55      -10.85    60630.0/
  PLOG/1.000E-01    1.873E+19       -1.55    7615.0/                             ! fit btw. 298 and 2200 K with MAE of 1.4%, 8.8%
  PLOG/1.000E+00    0.903E+33       -5.57    16010.0/
  PLOG/1.000E+00    3.197E+11        0.73    6013.0/                             ! fit btw. 298 and 2200 K with MAE of 0.7%, 1.6%
  PLOG/1.000E+01    0.777E+35       -5.92    20470.0/
  PLOG/1.000E+01    0.343E+09        1.57    6181.0/                             ! fit btw. 298 and 2200 K with MAE of 1.0%, 2.9%
  PLOG/1.000E+02    1.313E+32       -4.92    23160.0/
  PLOG/1.000E+02    0.687E+07        1.93    6374.0/                             ! fit btw. 298 and 2200 K with MAE of 3.1%, 11.0%
!C4H6-1+H=C3H4-A+CH3                                   4.15E+10        1.24    9239.0   !*0.5
!  PLOG/1.000E-02    1.94E+25       -3.70    8265.0/
!  PLOG/1.000E-02    0.875E+14        0.04    4601.0/                             ! fit btw. 298 and 2200 K with MAE of 0.1%, 0.3%
!  PLOG/1.000E-01    1.985E+55      -10.85    60630.0/
!  PLOG/1.000E-01    2.81E+19       -1.55    7615.0/                             ! fit btw. 298 and 2200 K with MAE of 1.4%, 8.8%
!  PLOG/1.000E+00    1.355E+33       -5.57    16010.0/
!  PLOG/1.000E+00    4.795E+11        0.73    6013.0/                             ! fit btw. 298 and 2200 K with MAE of 0.7%, 1.6%
!  PLOG/1.000E+01    1.165E+35       -5.92    20470.0/
!  PLOG/1.000E+01    0.565E+09        1.57    6181.0/                             ! fit btw. 298 and 2200 K with MAE of 1.0%, 2.9%
!  PLOG/1.000E+02    1.975E+32       -4.92    23160.0/
!  PLOG/1.000E+02    1.03E+07        1.93    6374.0/                             ! fit btw. 298 and 2200 K with MAE of 3.1%, 11.0%

!C4H6-1+H=C3H4-A+CH3                                   8.30E+10        1.24    9239.0
!  PLOG/1.000E-02    3.88E+25       -3.70    8265.0/
!  PLOG/1.000E-02    1.75E+14        0.04    4601.0/                             ! fit btw. 298 and 2200 K with MAE of 0.1%, 0.3%
!  PLOG/1.000E-01    3.97E+55      -10.85    60630.0/
!  PLOG/1.000E-01    5.62E+19       -1.55    7615.0/                             ! fit btw. 298 and 2200 K with MAE of 1.4%, 8.8%
!  PLOG/1.000E+00    2.71E+33       -5.57    16010.0/
!  PLOG/1.000E+00    9.59E+11        0.73    6013.0/                             ! fit btw. 298 and 2200 K with MAE of 0.7%, 1.6%
!  PLOG/1.000E+01    2.33E+35       -5.92    20470.0/
!  PLOG/1.000E+01    1.13E+09        1.57    6181.0/                             ! fit btw. 298 and 2200 K with MAE of 1.0%, 2.9%
!  PLOG/1.000E+02    3.95E+32       -4.92    23160.0/
!  PLOG/1.000E+02    2.06E+07        1.93    6374.0/                             ! fit btw. 298 and 2200 K with MAE of 3.1%, 11.0%

C4H6-1+H=C2H5+C2H2                                   1.02E+13        0.60    11840.0  !A*0.5
  PLOG/1.000E-02    0.550E+15       -0.12    11060.0/
  PLOG/1.000E-02    3.47E+18       -1.50    7606.0/                             ! fit btw. 298 and 2200 K with MAE of 0.2%, 0.5%
  PLOG/1.000E-01    0.70E+34       -6.26    14580.0/
  PLOG/1.000E-01    1.47E+13        0.28    7279.0/                             ! fit btw. 298 and 2200 K with MAE of 0.1%, 0.3%
  PLOG/1.000E+00    3.77E+35       -6.46    18270.0/
  PLOG/1.000E+00    0.715E+13        0.40    8440.0/                             ! fit btw. 298 and 2200 K with MAE of 0.8%, 1.9%
  PLOG/1.000E+01    3.43E+33       -5.58    20630.0/
  PLOG/1.000E+01    4.82E+08        1.61    8134.0/                             ! fit btw. 298 and 2200 K with MAE of 0.8%, 1.6%
  PLOG/1.000E+02    1.435E+32       -4.96    23850.0/
  PLOG/1.000E+02    0.575E+06        2.38    8123.0/                             ! fit btw. 298 and 2200 K with MAE of 1.9%, 6.1%
!____________________________________________________________________________________________________________
!\REACTION CLASS: H ABSTRACTION
!___________________________________________________________________________________________________________
C4H6-1+H<=>C4H5-3+H2                              2.37E+05           2.56E+00         2.92E+03!\Author:HL, ANALOGY WITH C4H8-1+H<=>C4H71-3+H2, JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
C4H6-1+H<=>C4H5-4+H2                              1.23E+05           2.71E+00         6.94E+03!\Author:HL, ANALOGY WITH C4H8-1+H<=>C4H71-4+H2, JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
C4H6-1+CH3=C4H5-4+CH4  5.4E2 3.01 1.08E4  !AUTHOR: HL    !ANALOGY TO 1-BUTENE:C4H8-1+CH3=C4H71-4+CH4
!C4H6-1+CH3<=>C4H5-3+CH4                          +1.69400000E+002 +3.12000000E+000 +6.28000000E+003 !\AUTHOR: HL, ANALOGY TO 1-BUTENE:C4H8-1+CH3=C4H71-3+CH4 EA+0.5 KCAL,\Ref: WANG, KUN, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.9(2015) !\Comment: WARNING 
C4H6-1+CH3<=>C4H5-3+CH4                          +1.69400000E+002 +3.12000000E+000 +5.78000000E+003 !\AUTHOR: HL, ANALOGY TO 1-BUTENE:C4H8-1+CH3=C4H71-3+CH4 EA+0 KCAL,\Ref: WANG, KUN, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.9(2015) !\Comment: WARNING 

C4H6-1+C3H3=C3H4-P+C4H5-3	4.00E+12	0	1.30E+04 !BELMEKKI2002
C4H5-3+H=C4H4+H2  3.16E13 0.0 0.0E0   !AUTHOR: HL        !ANALOGY TO  C4H71-3+H=C4H6+H2
C4H6-1+O=C4H5-3+OH                                +9.60000000E+014 -8.20000000E-001 +5.67000000E+003 !\Author: HL ANALOGY TO C3H4-P+O<=>C3H3+OH,A*2/3, Ea -2 kcal !\Ref: GIMONDI, CAVALLOTTI, VANUZZO, BALUCANI, CASAVECCHIA, J. PHYS. CHEM. A 2016, 120, 4619-4633 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +1.26670000E+011 +2.05000000E-001 +1.14000000E+003 /
PLOG /                           +1.00000000E+000 +5.05330000E+011 +4.80000000E-002 +1.55000000E+003 /
PLOG /                           +1.00000000E+001 +1.60000000E+012 -6.60000000E-002 +3.02000000E+003 /
PLOG /                           +3.00000000E+001 +9.60000000E+014 -8.20000000E-001 +5.67000000E+003 /
C4H6-1+O=C4H5-4+OH                             +1.13000000E+014 +0.00000000E+000 +7.85000000E+003 !\Author: HL  !\Ref: ANALOGY WITH C4H8-1+O<=>C4H71-4+OH !\Comment: WARNING 
C4H6-1+OH=C4H5-3+H2O                              +2.58000000E+005 +2.34000000E+000 +0.17300000E+003 !\Author: HL !\Ref:ANALOGY WITH C3H4-P+OH<=>C3H3+H2O,A*2/3, Ea-2kcal \Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
DUP
C4H6-1+OH=C4H5-3+H2O                              +3.28666700E+004 +2.48000000E+000 -6.20000000E+001 !\Author: HL !\Ref:ANALOGY WITH C3H4-P+OH<=>C3H3+H2O,A*2/3, \Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
DUP
C4H6-1+OH=C4H5-4+H2O                           +1.36600000E+007 +1.81300000E+000 +8.68400000E+002 !\Author: HL !\Ref:ANALOGY WITH C4H8-1+OH<=>C4H71-4+H2O,\Ref: WARNING !\Comment: WARNING 
C4H6-1+O2<=>C4H5-3+HO2                           +4.88000000E+001 +3.48000000E+000 +3.48000000E+004 !\Author: HL !\Ref:ANALOGY WITH C4H8-1+O2=C4H71-3+HO2, Author: SD !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C4H6-1+O2<=>C4H5-4+HO2                           +2.10000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: HL !\Ref:ANALOGY WITH C4H8-1+O2<=>C4H71-4+HO2,\Ref: WARNING !\Comment: WARNING 
C4H6-1+O2=>HCO+C2H5CO                              +2.00000000E+013 +0.00000000E+000 +4.10000000E+004 !\Author: HL !\Ref:ANALOGY WITH O2+C3H4-P=>HCO+CH3CO, \Ref: WARNING !\Comment: WARNING 
!C4H6-1+HO2<=>C4H5-3+H2O2           1.13333333E-001	 4.4	  11547    !\Author: HL !\Ref:ANALOGY WITH C3H4-P+HO2<=>C3H3+H2O2,A*2/3, Ea-2kcal \Ref: WARNING !\Comment: WARNING 

C4H6-1+HO2<=>C4H5-3+H2O2                         +7.82000000E-001 +3.97000000E+000 +1.22020000E+004 !\Author: HL !\Ref:ANALOGY WITH C4H8-1+HO2<=>C4H71-3+H2O2,Ea+0.5kcal, Ref: JUDIT ZADOR,STEPHEN J. KLIPPENSTEIN,AND JAMES A. MILLER J. PHYS. CHEM. A 2011, 115, 10218 C10225 !\Comment: *2 

C4H6-1+HO2<=>C4H5-4+H2O2                         +2.04000000E+001 +3.59000000E+000 +1.71600000E+004 !\Author: HL !\Ref:ANALOGY WITH C4H8-1+HO2<=>C4H71-4+H2O2, \Ref: J. AGUILERA-IPARRAGUIRRE, H. J. CURRAN, W. KLOPPER, J. M. SIMMIE, J. PHYS. CHEM. A, 112, 2008, 7047-7054 !\Comment: WARNING 
!C4H6-1+CH3O2<=>C4H5-3+CH3O2H       1.13333333E-001	 4.4	  13547    !\Author: HL !\Ref:ANALOGY WITH C3H4-P+HO2<=>C3H3+H2O2,A*2/3, Ea-2kcal \Ref: WARNING !\Comment: WARNING 
C4H6-1+CH3O2<=>C4H5-3+CH3O2H                     +7.82000000E-001 +3.97000000E+000 +1.22020000E+004 !\Author: HL !\Ref:ANALOGY WITH C4H8-1+HO2<=>C4H71-3+H2O2,Ea+0.5kcal, Ref: JUDIT ZADOR,STEPHEN J. KLIPPENSTEIN,AND JAMES A. MILLER J. PHYS. CHEM. A 2011, 115, 10218 C10225 !\Comment: *2 

C4H6-1+CH3O2<=>C4H5-4+CH3O2H                         +2.04000000E+001 +3.59000000E+000 +1.91600000E+004 !\Author: HL !\Ref:ANALOGY WITH C4H8-1+HO2<=>C4H71-4+H2O2, \Ref: J. AGUILERA-IPARRAGUIRRE, H. J. CURRAN, W. KLOPPER, J. M. SIMMIE, J. PHYS. CHEM. A, 112, 2008, 7047-7054 !\Comment: WARNING 
C4H6-1+CH3O<=>C4H5-3+CH3OH                       +4.00000000E+001 +2.90000000E+000 +8.60900000E+003 !\Author: HL, ANALOGY WITH C4H8-1+CH3O<=>C4H71-3+CH3OH, !\Ref: IN ARAMCO(TSANG '91) !\Comment: WARNING 
C4H6-1+CH3O<=>C4H5-4+CH3OH                       +2.17000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: HL, ANALOGY WITH C4H8-1+CH3O<=>C4H71-4+CH3OH, !\Ref: IN ARAMCO(TSANG '91) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONO
!___________________________________________________________________________________________________________ 
C4H6-1+O<=>HCCO+C2H5                               +6.02000000E+008 +1.26000000E+000 +1.63000000E+003 !\Author: HL !\Ref:ANALOGY WITH C3H4-P+O<=>CH3+HCCO; \Ref: GIMONDI, CAVALLOTTI, VANUZZO, BALUCANI, CASAVECCHIA, J. PHYS. CHEM. A 2016, 120, 4619-4633 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +1.20000000E+010 +8.87000000E-001 +2.23000000E+003 /
PLOG /                           +1.00000000E+000 +1.20000000E+010 +9.01000000E-001 +2.17000000E+003 /
PLOG /                           +1.00000000E+001 +9.54000000E+009 +9.36000000E-001 +2.15000000E+003 /
PLOG /                           +3.00000000E+001 +6.02000000E+008 +1.26000000E+000 +1.63000000E+003 /
!!!20210419 HL ADDED
C4H6-1+O=SC3H5CHO                                 +3.16000000E+031 -6.00000000E+000 +7.71000000E+003 !\Author: HL !\Ref:ANALOGY WITH C3H4-P+O<=>C2H3CHO,\Ref: GIMONDI, CAVALLOTTI, VANUZZO, BALUCANI, CASAVECCHIA, J. PHYS. CHEM. A 2016, 120, 4619-4633 !\Comment: WARNING 
PLOG /                           +1.00000000E+000 +4.78000000E+044 -1.11000000E+001 +1.18000000E+004 /
PLOG /                           +1.00000000E+001 +8.91000000E+032 -6.69000000E+000 +7.51000000E+003 /
PLOG /                           +3.00000000E+001 +3.16000000E+031 -6.00000000E+000 +7.71000000E+003 /
C4H6-1+O=C2H5CHCO                                +1.17000000E+029 -5.29000000E+000 +6.90000000E+003 !\Author: HL !\Ref:ANALOGY WITH C3H4-P+O<=>CH3CHCO,\Ref: GIMONDI, CAVALLOTTI, VANUZZO, BALUCANI, CASAVECCHIA, J. PHYS. CHEM. A 2016, 120, 4619-4633 !\Comment: WARNING 
PLOG /                           +1.00000000E+000 +5.01000000E+029 -6.21000000E+000 +6.32000000E+003 /
PLOG /                           +1.00000000E+001 +4.78000000E+035 -7.52000000E+000 +8.28000000E+003 /
PLOG /                           +3.00000000E+001 +1.17000000E+029 -5.29000000E+000 +6.90000000E+003 /
C4H6-1+O=C2H5CCO+H                               +6.02000000E+009 +9.96000000E-001 +3.57000000E+003 !\Author: HL !\Ref:ANALOGY WITH C3H4-P+O<=>CH3CCO+H,\Ref: GIMONDI, CAVALLOTTI, VANUZZO, BALUCANI, CASAVECCHIA, J. PHYS. CHEM. A 2016, 120, 4619-4633 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +3.80000000E+010 +7.12000000E-001 +2.89000000E+003 /
PLOG /                           +1.00000000E+000 +1.90000000E+010 +8.03000000E-001 +2.85000000E+003 /
PLOG /                           +1.00000000E+001 +3.02000000E+010 +7.73000000E-001 +3.33000000E+003 /
PLOG /                           +3.00000000E+001 +6.02000000E+009 +9.96000000E-001 +3.57000000E+003 /
C4H6-1+O=CH3C3H2O+H                                +3.80000000E+008 +1.26000000E+000 +5.22000000E+003 !\Author: HL !\Ref:ANALOGY WITH C3H4-P+O<=>C3H3O+H,\Ref: GIMONDI, CAVALLOTTI, VANUZZO, BALUCANI, CASAVECCHIA, J. PHYS. CHEM. A 2016, 120, 4619-4633 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +7.58000000E+006 +1.71000000E+000 +2.95000000E+003 /
PLOG /                           +1.00000000E+000 +1.90000000E+006 +1.89000000E+000 +2.74000000E+003 /
PLOG /                           +1.00000000E+001 +6.02000000E+006 +1.75000000E+000 +3.49000000E+003 /
PLOG /                           +3.00000000E+001 +3.80000000E+008 +1.26000000E+000 +5.22000000E+003 /
C4H6-1+O<=>SC3H5CO+H                            +3.02000000E+006 +1.81000000E+000 +4.31000000E+003 !\Author: HL !\Ref:ANALOGY WITH C3H4-P+O<=>C2H3CO+H, \Ref: GIMONDI, CAVALLOTTI, VANUZZO, BALUCANI, CASAVECCHIA, J. PHYS. CHEM. A 2016, 120, 4619-4633 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +1.51000000E+008 +1.30000000E+000 +4.02000000E+003 /
PLOG /                           +1.00000000E+000 +1.51000000E+005 +2.16000000E+000 +2.34000000E+003 /
PLOG /                           +1.00000000E+001 +1.20000000E+006 +1.92000000E+000 +3.31000000E+003 /
PLOG /                           +3.00000000E+001 +3.02000000E+006 +1.81000000E+000 +4.31000000E+003 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONOH
!___________________________________________________________________________________________________________ 
C4H6-1+OH=C2H5CCHOH                               +3.05000000E+038 -7.55000000E+000 +1.51600000E+004 !\Author: HL !\Ref:ANALOGY WITH C3H4-P+OH=PC3H4OH-2, \Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +4.45000000E+058 -1.54600000E+001 +1.40000000E+004 /
PLOG /                           +9.86900000E-004 +5.00000000E+038 -9.39000000E+000 +4.92600000E+003 /
PLOG /                           +9.86900000E-003 +1.19000000E+051 -1.26900000E+001 +1.20800000E+004 /
PLOG /                           +9.86900000E-003 +3.16000000E+040 -9.81000000E+000 +5.70400000E+003 /
PLOG /                           +9.86900000E-002 +1.31000000E+050 -1.20200000E+001 +1.32600000E+004 /
PLOG /                           +9.86900000E-002 +9.98000000E+037 -8.76000000E+000 +5.70900000E+003 /
PLOG /                           +1.31300000E-001 +9.00000000E+049 -1.19200000E+001 +1.34200000E+004 /
PLOG /                           +1.31300000E-001 +3.58000000E+037 -8.59000000E+000 +5.67100000E+003 /
PLOG /                           +9.86900000E-001 +5.36000000E+047 -1.09300000E+001 +1.42800000E+004 /
PLOG /                           +9.86900000E-001 +3.15000000E+033 -7.11000000E+000 +5.10100000E+003 /
PLOG /                           +9.86900000E+000 +9.76000000E+043 -9.47000000E+000 +1.50700000E+004 /
PLOG /                           +9.86900000E+000 +1.03000000E+027 -4.84000000E+000 +3.90200000E+003 /
PLOG /                           +9.86900000E+001 +3.05000000E+038 -7.55000000E+000 +1.51600000E+004 /
PLOG /                           +9.86900000E+001 +5.51000000E+020 -2.69000000E+000 +2.61700000E+003 /
C4H6-1+OH=C2H5COHCH                               +3.78000000E+034 -6.46000000E+000 +1.47500000E+004 !\Author: HL !\Ref:ANALOGY WITH C3H4-P+OH=CH3C(OH)CH, \Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +2.72000000E+056 -1.48400000E+001 +1.39500000E+004 /
PLOG /                           +9.86900000E-004 +1.45000000E+037 -9.01000000E+000 +5.01600000E+003 /
PLOG /                           +9.86900000E-003 +3.08000000E+050 -1.25500000E+001 +1.28600000E+004 /
PLOG /                           +9.86900000E-003 +7.76000000E+038 -9.39000000E+000 +5.85900000E+003 /
PLOG /                           +9.86900000E-002 +9.42000000E+048 -1.17000000E+001 +1.39900000E+004 /
PLOG /                           +9.86900000E-002 +4.15000000E+035 -8.10000000E+000 +5.64600000E+003 /
PLOG /                           +1.31300000E-001 +4.82000000E+048 -1.15600000E+001 +1.41200000E+004 /
PLOG /                           +1.31300000E-001 +1.06000000E+035 -7.88000000E+000 +5.56500000E+003 /
PLOG /                           +9.86900000E-001 +5.38000000E+045 -1.03600000E+001 +1.48100000E+004 /
PLOG /                           +9.86900000E-001 +3.81000000E+029 -5.96000000E+000 +4.62900000E+003 /
PLOG /                           +9.86900000E+000 +5.69000000E+039 -8.25000000E+000 +1.45100000E+004 /
PLOG /                           +9.86900000E+000 +6.09000000E+024 -4.28000000E+000 +3.73400000E+003 /
PLOG /                           +9.86900000E+001 +3.78000000E+034 -6.46000000E+000 +1.47500000E+004 /
PLOG /                           +9.86900000E+001 +9.42000000E+016 -1.62000000E+000 +2.07300000E+003 / 
C4H6-1+OH=CH2CO+C2H5                               +1.60000000E+023 -2.80000000E+000 +2.08200000E+004 !\Author: HL !\Ref:ANALOGY WITH C3H4-P+OH=CH2CO+CH3, \Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +2.66000000E+019 -2.65000000E+000 +3.16800000E+003 /
PLOG /                           +9.86900000E-004 +5.97000000E+005 +1.79000000E+000 +3.03000000E+001 /
PLOG /                           +9.86900000E-003 +2.65000000E+023 -3.76000000E+000 +6.00100000E+003 /
PLOG /                           +9.86900000E-003 +1.77000000E+006 +1.67000000E+000 +6.51600000E+002 /
PLOG /                           +9.86900000E-002 +1.07000000E+026 -4.36000000E+000 +9.18600000E+003 /
PLOG /                           +9.86900000E-002 +8.17000000E+006 +1.51000000E+000 +1.90000000E+003 /
PLOG /                           +1.31300000E-001 +1.25000000E+026 -4.35000000E+000 +9.55200000E+003 /
PLOG /                           +1.31300000E-001 +8.40000000E+006 +1.50000000E+000 +2.05500000E+003 /
PLOG /                           +9.86900000E-001 +4.07000000E+026 -4.29000000E+000 +1.25600000E+004 /
PLOG /                           +9.86900000E-001 +4.68000000E+006 +1.60000000E+000 +3.21600000E+003 /
PLOG /                           +9.86900000E+000 +1.62000000E+025 -3.63000000E+000 +1.60000000E+004 /
PLOG /                           +9.86900000E+000 +2.58000000E+004 +2.24000000E+000 +4.38100000E+003 /
PLOG /                           +9.86900000E+001 +1.60000000E+023 -2.80000000E+000 +2.08200000E+004 /
PLOG /                           +9.86900000E+001 +2.47000000E+002 +2.59000000E+000 +5.44700000E+003 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONHO2
!___________________________________________________________________________________________________________ 
!C4H6-1+HO2<=>C2H5CCHO+OH                          +1.45000000E+011 +4.80000000E-001 +1.77300000E+004 !\Author: HL A*1.3 !\Ref: ANALOGY TO C2H2+HO2 GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
!PLOG /                           +1.00000000E-002 +5.49000000E+009 +9.10000000E-001 +1.85000000E+004 /
!PLOG /                           +1.00000000E-002 +2.41000000E+007 +1.54000000E+000 +1.46900000E+004 /
!PLOG /                           +1.00000000E-001 +5.93000000E+009 +9.00000000E-001 +1.85500000E+004 /
!PLOG /                           +1.00000000E-001 +2.48000000E+007 +1.54000000E+000 +1.47000000E+004 /
!PLOG /                           +3.16000000E-001 +6.80000000E+009 +8.80000000E-001 +1.86400000E+004 /
!PLOG /                           +3.16000000E-001 +2.63000000E+007 +1.54000000E+000 +1.47300000E+004 /
!PLOG /                           +1.00000000E+000 +1.56000000E+010 +7.70000000E-001 +1.90400000E+004 /
!PLOG /                           +1.00000000E+000 +2.50000000E+007 +1.56000000E+000 +1.47900000E+004 /
!PLOG /                           +3.16000000E+000 +3.48000000E+009 +9.90000000E-001 +1.88100000E+004 /
!PLOG /                           +3.16000000E+000 +1.47000000E+008 +1.32000000E+000 +1.50900000E+004 /
!PLOG /                           +1.00000000E+001 +5.39000000E+010 +6.10000000E-001 +2.07400000E+004 /
!PLOG /                           +1.00000000E+001 +1.61000000E+008 +1.36000000E+000 +1.54200000E+004 /
!PLOG /                           +3.16000000E+001 +3.70000000E+008 +1.23000000E+000 +1.59600000E+004 /
!PLOG /                           +3.16000000E+001 +1.67000000E+007 +1.59000000E+000 +1.59100000E+004 /
!PLOG /                           +1.00000000E+002 +1.45000000E+011 +4.80000000E-001 +1.77300000E+004 /
!PLOG /                           +1.00000000E+002 +7.21000000E+006 +1.73000000E+000 +1.60200000E+004 /
!C4H6-1+HO2<=>C2H5CCHO+OH                          +1.45000000E+011 +4.80000000E-001 +1.67300000E+004 !\Author: HL  EA-1 KCAL!\Ref: ANALOGY TO C2H2+HO2 GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
!PLOG /                           +1.00000000E-002 +5.49000000E+009 +9.10000000E-001 +1.75000000E+004 /
!PLOG /                           +1.00000000E-002 +2.41000000E+007 +1.54000000E+000 +1.36900000E+004 /
!PLOG /                           +1.00000000E-001 +5.93000000E+009 +9.00000000E-001 +1.75500000E+004 /
!PLOG /                           +1.00000000E-001 +2.48000000E+007 +1.54000000E+000 +1.37000000E+004 /
!PLOG /                           +3.16000000E-001 +6.80000000E+009 +8.80000000E-001 +1.76400000E+004 /
!PLOG /                           +3.16000000E-001 +2.63000000E+007 +1.54000000E+000 +1.37300000E+004 /
!PLOG /                           +1.00000000E+000 +1.56000000E+010 +7.70000000E-001 +1.80400000E+004 /
!PLOG /                           +1.00000000E+000 +2.50000000E+007 +1.56000000E+000 +1.37900000E+004 /
!PLOG /                           +3.16000000E+000 +3.48000000E+009 +9.90000000E-001 +1.78100000E+004 /
!PLOG /                           +3.16000000E+000 +1.47000000E+008 +1.32000000E+000 +1.40900000E+004 /
!PLOG /                           +1.00000000E+001 +5.39000000E+010 +6.10000000E-001 +1.97400000E+004 /
!PLOG /                           +1.00000000E+001 +1.61000000E+008 +1.36000000E+000 +1.44200000E+004 /
!PLOG /                           +3.16000000E+001 +3.70000000E+008 +1.23000000E+000 +1.49600000E+004 /
!PLOG /                           +3.16000000E+001 +1.67000000E+007 +1.59000000E+000 +1.49100000E+004 /
!PLOG /                           +1.00000000E+002 +1.45000000E+011 +4.80000000E-001 +1.67300000E+004 /
!PLOG /                           +1.00000000E+002 +7.21000000E+006 +1.73000000E+000 +1.50200000E+004 /

C4H6-1+HO2<=>C2H5CCHO+OH                          +1.45000000E+011 +4.80000000E-001 +1.69300000E+004 !\Author: HL  EA-0.8 KCAL!\Ref: ANALOGY TO C2H2+HO2 GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.49000000E+009 +9.10000000E-001 +1.77000000E+004 /
PLOG /                           +1.00000000E-002 +2.41000000E+007 +1.54000000E+000 +1.38900000E+004 /
PLOG /                           +1.00000000E-001 +5.93000000E+009 +9.00000000E-001 +1.77500000E+004 /
PLOG /                           +1.00000000E-001 +2.48000000E+007 +1.54000000E+000 +1.39000000E+004 /
PLOG /                           +3.16000000E-001 +6.80000000E+009 +8.80000000E-001 +1.78400000E+004 /
PLOG /                           +3.16000000E-001 +2.63000000E+007 +1.54000000E+000 +1.39300000E+004 /
PLOG /                           +1.00000000E+000 +1.56000000E+010 +7.70000000E-001 +1.82400000E+004 /
PLOG /                           +1.00000000E+000 +2.50000000E+007 +1.56000000E+000 +1.39900000E+004 /
PLOG /                           +3.16000000E+000 +3.48000000E+009 +9.90000000E-001 +1.80100000E+004 /
PLOG /                           +3.16000000E+000 +1.47000000E+008 +1.32000000E+000 +1.42900000E+004 /
PLOG /                           +1.00000000E+001 +5.39000000E+010 +6.10000000E-001 +1.99400000E+004 /
PLOG /                           +1.00000000E+001 +1.61000000E+008 +1.36000000E+000 +1.46200000E+004 /
PLOG /                           +3.16000000E+001 +3.70000000E+008 +1.23000000E+000 +1.51600000E+004 /
PLOG /                           +3.16000000E+001 +1.67000000E+007 +1.59000000E+000 +1.51100000E+004 /
PLOG /                           +1.00000000E+002 +1.45000000E+011 +4.80000000E-001 +1.69300000E+004 /
PLOG /                           +1.00000000E+002 +7.21000000E+006 +1.73000000E+000 +1.52200000E+004 /
!C4H6-1+HO2<=>C2H5CCHO+OH                          +2.24000000E+011 +4.80000000E-001 +1.77000000E+004 !\Author: HL, ANALOGY WITH C2H2+HO2<=>CHCHO+OH, A*2, \Ref: GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
!PLOG /                           +1.00000000E-002 +8.44000000E+009 +9.10000000E-001 +1.85000000E+004 /
!PLOG /                           +1.00000000E-002 +3.70000000E+007 +1.54000000E+000 +1.47000000E+004 /
!PLOG /                           +1.00000000E-001 +9.12000000E+009 +9.00000000E-001 +1.86000000E+004 /
!PLOG /                           +1.00000000E-001 +3.82000000E+007 +1.54000000E+000 +1.47000000E+004 /
!PLOG /                           +3.16000000E-001 +10.4600000E+009 +8.80000000E-001 +1.86000000E+004 /
!PLOG /                           +3.16000000E-001 +4.04000000E+007 +1.54000000E+000 +1.47000000E+004 /
!PLOG /                           +1.00000000E+000 +2.40000000E+010 +7.70000000E-001 +1.90000000E+004 /
!PLOG /                           +1.00000000E+000 +3.84000000E+007 +1.56000000E+000 +1.48000000E+004 /
!PLOG /                           +3.16000000E+000 +5.36000000E+009 +9.90000000E-001 +1.88000000E+004 /
!PLOG /                           +3.16000000E+000 +2.26000000E+008 +1.32000000E+000 +1.51000000E+004 /
!PLOG /                           +1.00000000E+001 +8.30000000E+010 +6.10000000E-001 +2.07000000E+004 /
!PLOG /                           +1.00000000E+001 +2.48000000E+008 +1.36000000E+000 +1.54000000E+004 /
!PLOG /                           +3.16000000E+001 +5.70000000E+008 +1.23000000E+000 +1.60000000E+004 /
!PLOG /                           +3.16000000E+001 +2.56000000E+007 +1.59000000E+000 +1.59000000E+004 /
!PLOG /                           +1.00000000E+002 +2.24000000E+011 +4.80000000E-001 +1.77000000E+004 /
!PLOG /                           +1.00000000E+002 +11.10000000E+006 +1.73000000E+000 +1.60000000E+004 /


C4H6-1+HO2<=>C3H6CHO-1+O                           +5.78000000E+018 -2.09000000E+000 +2.43500000E+004 !\Author: HL !\Ref:ANALOGY WITH C3H4-P+HO2<=>CH3CHCHO+O, \Ref: ANALOGY TO C2H2+HO2 GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.50000000E+006 +1.19000000E+000 +1.28800000E+004 /
PLOG /                           +1.00000000E-002 +2.94000000E-004 +4.16000000E+000 +7.73600000E+003 /
PLOG /                           +1.00000000E-001 +1.16000000E+008 +7.70000000E-001 +1.36000000E+004 /
PLOG /                           +1.00000000E-001 +6.14000000E-003 +3.81000000E+000 +8.39400000E+003 /
PLOG /                           +3.16000000E-001 +1.20000000E+007 +1.09000000E+000 +1.30500000E+004 /
PLOG /                           +3.16000000E-001 +5.44000000E-004 +4.09000000E+000 +8.04400000E+003 /
PLOG /                           +1.00000000E+000 +3.02000000E+007 +9.80000000E-001 +1.33100000E+004 /
PLOG /                           +1.00000000E+000 +2.48000000E-004 +4.19000000E+000 +8.20300000E+003 /
PLOG /                           +3.16000000E+000 +1.98000000E+074 -1.63300000E+001 +1.09200000E+005 /
PLOG /                           +3.16000000E+000 +6.57000000E+004 +1.85000000E+000 +1.23600000E+004 /
PLOG /                           +1.00000000E+001 +7.50000000E+014 -1.17000000E+000 +1.83500000E+004 /
PLOG /                           +1.00000000E+001 +2.92000000E-001 +3.38000000E+000 +1.05900000E+004 /
PLOG /                           +3.16000000E+001 +8.63000000E+018 -2.27000000E+000 +2.22300000E+004 /
PLOG /                           +3.16000000E+001 +1.95000000E+000 +3.17000000E+000 +1.17400000E+004 /
PLOG /                           +1.00000000E+002 +5.78000000E+018 -2.09000000E+000 +2.43500000E+004 /
PLOG /                           +1.00000000E+002 +1.10000000E-001 +3.52000000E+000 +1.19800000E+004 /
C4H6-1+HO2=C2H5CHCO+OH                            +3.58000000E+003 +1.97000000E+000 +2.30100000E+004 !\Author: HL !\Ref:ANALOGY WITH C3H4-P+HO2<=>CH3CHCO+OH, \Ref: ANALOGY TO C2H2+HO2 GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.25000000E-007 +4.75000000E+000 +1.55300000E+004 /
PLOG /                           +1.00000000E-002 +1.31000000E-014 +6.58000000E+000 +1.02700000E+004 /
PLOG /                           +1.00000000E-001 +6.70000000E-007 +4.74000000E+000 +1.55500000E+004 /
PLOG /                           +1.00000000E-001 +1.29000000E-014 +6.59000000E+000 +1.03300000E+004 /
PLOG /                           +3.16000000E-001 +4.18000000E-007 +4.81000000E+000 +1.54100000E+004 /
PLOG /                           +3.16000000E-001 +3.99000000E-014 +6.36000000E+000 +1.02700000E+004 /
PLOG /                           +1.00000000E+000 +5.28000000E-007 +4.78000000E+000 +1.54600000E+004 /
PLOG /                           +1.00000000E+000 +3.28000000E-015 +6.70000000E+000 +1.00900000E+004 /
PLOG /                           +3.16000000E+000 +1.04000000E-006 +4.69000000E+000 +1.56400000E+004 /
PLOG /                           +3.16000000E+000 +8.71000000E-021 +8.30000000E+000 +8.10700000E+003 /
PLOG /                           +1.00000000E+001 +4.68000000E-005 +4.22000000E+000 +1.67800000E+004 /
PLOG /                           +1.00000000E+001 +8.36000000E-022 +8.76000000E+000 +8.80400000E+003 /
PLOG /                           +3.16000000E+001 +8.99000000E-001 +2.97000000E+000 +1.97300000E+004 /
PLOG /                           +3.16000000E+001 +6.87000000E-014 +6.67000000E+000 +1.31300000E+004 /
PLOG /                           +1.00000000E+002 +3.58000000E+003 +1.97000000E+000 +2.30100000E+004 /
PLOG /                           +1.00000000E+002 +6.63000000E-012 +6.15000000E+000 +1.47300000E+004 /
C4H6-1+HO2=C2H5CHO+HCO                            +2.47000000E+016 -1.70000000E+000 +2.00300000E+004 !\Author: HL !\Ref:ANALOGY WITH C3H4-P+HO2<=>CH3CHO+HCO, \Ref: ANALOGY TO C2H2+HO2 GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.90000000E+013 -1.17000000E+000 +1.37500000E+004 /
PLOG /                           +1.00000000E-002 +8.43000000E+000 +2.56000000E+000 +7.38200000E+003 /
PLOG /                           +1.00000000E-001 +4.26000000E+000 +2.64000000E+000 +7.25300000E+003 /
PLOG /                           +1.00000000E-001 +1.56000000E+013 -1.05000000E+000 +1.35200000E+004 /
PLOG /                           +3.16000000E-001 +2.59000000E-006 +4.34000000E+000 +4.52500000E+003 /
PLOG /                           +3.16000000E-001 +6.90000000E+009 -0.00000000E+000 +1.17200000E+004 /
PLOG /                           +1.00000000E+000 +3.33000000E+102 -2.41800000E+001 +1.38600000E+005 /
PLOG /                           +1.00000000E+000 +8.07000000E+007 +6.00000000E-001 +1.08500000E+004 /
PLOG /                           +3.16000000E+000 +5.22000000E+015 -1.75000000E+000 +1.51800000E+004 /
PLOG /                           +3.16000000E+000 +3.54000000E+000 +2.69000000E+000 +8.02500000E+003 /
PLOG /                           +1.00000000E+001 +7.32000000E+035 -7.77000000E+000 +2.69700000E+004 /
PLOG /                           +1.00000000E+001 +9.84000000E+006 +9.10000000E-001 +1.17100000E+004 /
PLOG /                           +3.16000000E+001 +1.78000000E+028 -5.30000000E+000 +2.51300000E+004 /
PLOG /                           +3.16000000E+001 +1.79000000E+004 +1.70000000E+000 +1.12500000E+004 /
PLOG /                           +1.00000000E+002 +2.47000000E+016 -1.70000000E+000 +2.00300000E+004 /
PLOG /                           +1.00000000E+002 +4.32000000E-006 +4.31000000E+000 +6.82900000E+003 /
C4H6-1+HO2<=>NC3H7O+CO                             +1.17000000E+018 -2.57000000E+000 +2.23600000E+004 !\Author: HL !\Ref:ANALOGY WITH C3H4-P+HO2<=>CO+C2H5O, \Ref: ANALOGY TO C2H2+HO2 GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.54000000E+011 +0.00000000E+000 +4.95100000E+004 /
PLOG /                           +1.00000000E-002 +2.89000000E+004 +1.23000000E+000 +9.90300000E+003 /
PLOG /                           +1.00000000E-001 +2.78000000E+008 +1.00000000E-002 +1.19200000E+004 /
PLOG /                           +1.00000000E-001 +9.67000000E-007 +4.15000000E+000 +5.17300000E+003 /
PLOG /                           +3.16000000E-001 +8.06000000E+007 +1.80000000E-001 +1.16500000E+004 /
PLOG /                           +3.16000000E-001 +1.84000000E-008 +4.62000000E+000 +4.51700000E+003 /
PLOG /                           +1.00000000E+000 +8.94000000E+069 -1.58500000E+001 +1.02500000E+005 /
PLOG /                           +1.00000000E+000 +5.38000000E+005 +8.60000000E-001 +1.07000000E+004 /
PLOG /                           +3.16000000E+000 +5.66000000E+012 -1.25000000E+000 +1.45700000E+004 /
PLOG /                           +3.16000000E+000 +5.37000000E-004 +3.42000000E+000 +7.21800000E+003 /
PLOG /                           +1.00000000E+001 +3.30000000E+023 -4.45000000E+000 +2.12100000E+004 /
PLOG /                           +3.16000000E+001 +2.43000000E+022 -3.96000000E+000 +2.26500000E+004 /
PLOG /                           +3.16000000E+001 +8.11000000E+000 +2.30000000E+000 +1.05600000E+004 /
PLOG /                           +1.00000000E+002 +1.17000000E+018 -2.57000000E+000 +2.23600000E+004 /
PLOG /                           +1.00000000E+002 +6.86000000E-004 +3.42000000E+000 +9.32900000E+003 /
C4H6-1+HO2<=>NC3H7+CO2                             +1.71000000E+015 -1.80000000E+000 +2.03700000E+004 !\Author: HL !\Ref:ANALOGY WITH C3H4-P+HO2<=>CO2+C2H5, \Ref: ANALOGY TO C2H2+HO2 GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.15000000E-007 +4.31000000E+000 +4.61400000E+003 /
PLOG /                           +1.00000000E-002 +2.01000000E+008 +0.00000000E+000 +1.17900000E+004 /
PLOG /                           +1.00000000E-001 +1.10000000E-007 +4.32000000E+000 +4.62200000E+003 /
PLOG /                           +1.00000000E-001 +2.01000000E+008 +0.00000000E+000 +1.17800000E+004 /
PLOG /                           +3.16000000E-001 +1.75000000E+142 -3.50400000E+001 +1.88700000E+005 /
PLOG /                           +3.16000000E-001 +1.55000000E+005 +9.50000000E-001 +1.02000000E+004 /
PLOG /                           +1.00000000E+000 +3.96000000E+084 -1.98000000E+001 +1.19800000E+005 /
PLOG /                           +1.00000000E+000 +1.38000000E+006 +6.80000000E-001 +1.08100000E+004 /
PLOG /                           +3.16000000E+000 +5.02000000E+013 -1.60000000E+000 +1.49800000E+004 /
PLOG /                           +3.16000000E+000 +9.29000000E-003 +3.00000000E+000 +7.65900000E+003 /
PLOG /                           +1.00000000E+001 +8.56000000E+028 -6.15000000E+000 +2.40300000E+004 /
PLOG /                           +1.00000000E+001 +1.86000000E+004 +1.26000000E+000 +1.12300000E+004 /
PLOG /                           +3.16000000E+001 +1.28000000E+027 -5.42000000E+000 +2.53800000E+004 /
PLOG /                           +3.16000000E+001 +2.89000000E+002 +1.79000000E+000 +1.12400000E+004 /
PLOG /                           +1.00000000E+002 +1.71000000E+015 -1.80000000E+000 +2.03700000E+004 /
PLOG /                           +1.00000000E+002 +3.90000000E-007 +4.21000000E+000 +7.31400000E+003 /
C4H6-1+HO2<=>C4H71-1O2                               +2.53000000E+035 -7.26000000E+000 +2.63900000E+004 !\Author: HL !\Ref: ANALOGY TO C3H4-P+HO2<=>SC3H5OO\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.99000000E+006 -1.02000000E+000 +9.15200000E+003 /
PLOG /                           +1.00000000E-002 +1.88000000E+026 -8.34000000E+000 +9.24900000E+003 /
PLOG /                           +1.00000000E-001 +6.02000000E+017 -3.82000000E+000 +1.07900000E+004 /
PLOG /                           +1.00000000E-001 +5.26000000E+129 -4.17400000E+001 +3.59300000E+004 /
PLOG /                           +3.16000000E-001 +2.47000000E+048 -1.28200000E+001 +2.52200000E+004 /
PLOG /                           +3.16000000E-001 +1.96000000E+018 -3.67000000E+000 +1.04800000E+004 /
PLOG /                           +1.00000000E+000 +4.06000000E+050 -1.30700000E+001 +2.72200000E+004 /
PLOG /                           +1.00000000E+000 +4.93000000E+021 -4.37000000E+000 +1.22200000E+004 /
PLOG /                           +3.16000000E+000 +9.08000000E+046 -1.15700000E+001 +2.68800000E+004 /
PLOG /                           +3.16000000E+000 +1.92000000E+022 -4.28000000E+000 +1.30800000E+004 /
PLOG /                           +1.00000000E+001 +4.60000000E+043 -1.02400000E+001 +2.69300000E+004 /
PLOG /                           +1.00000000E+001 +2.11000000E+021 -3.78000000E+000 +1.33800000E+004 /
PLOG /                           +3.16000000E+001 +5.61000000E+038 -8.49000000E+000 +2.62100000E+004 /
PLOG /                           +3.16000000E+001 +1.39000000E+020 -3.30000000E+000 +1.34100000E+004 /
PLOG /                           +1.00000000E+002 +2.53000000E+035 -7.26000000E+000 +2.63900000E+004 /
PLOG /                           +1.00000000E+002 +1.42000000E+019 -2.91000000E+000 +1.34200000E+004 /
C4H6-1+HO2<=>C2H5COCHO+H                           +5.91000000E+021 -3.32000000E+000 +2.50300000E+004 !\Author: HL !\Ref: ANALOGY TO C3H4-P+HO2<=>CH3COCHO+H, \Ref: ANALOGY TO C2H2+HO2 GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.51000000E+007 +4.80000000E-001 +1.17200000E+004 /
PLOG /                           +1.00000000E-002 +2.43000000E-006 +4.43000000E+000 +5.57800000E+003 /
PLOG /                           +1.00000000E-001 +7.43000000E+007 +5.00000000E-001 +1.16900000E+004 /
PLOG /                           +1.00000000E-001 +2.00000000E-006 +4.45000000E+000 +5.56400000E+003 /
PLOG /                           +3.16000000E-001 +7.91000000E+007 +4.90000000E-001 +1.17000000E+004 /
PLOG /                           +3.16000000E-001 +1.81000000E-006 +4.46000000E+000 +5.65400000E+003 /
PLOG /                           +1.00000000E+000 +2.18000000E+009 +6.00000000E-002 +1.24700000E+004 /
PLOG /                           +1.00000000E+000 +2.24000000E-005 +4.17000000E+000 +6.41600000E+003 /
PLOG /                           +3.16000000E+000 +7.00000000E+049 -1.01800000E+001 +7.71100000E+004 /
PLOG /                           +3.16000000E+000 +7.65000000E+005 +1.18000000E+000 +1.13400000E+004 /
PLOG /                           +1.00000000E+001 +4.06000000E+016 -2.03000000E+000 +1.76300000E+004 /
PLOG /                           +1.00000000E+001 +2.01000000E-002 +3.38000000E+000 +8.69600000E+003 /
PLOG /                           +3.16000000E+001 +9.38000000E+016 -2.03000000E+000 +1.95900000E+004 /
PLOG /                           +3.16000000E+001 +6.06000000E-003 +3.53000000E+000 +9.21700000E+003 /
PLOG /                           +1.00000000E+002 +5.91000000E+021 -3.32000000E+000 +2.50300000E+004 /
PLOG /                           +1.00000000E+002 +6.76000000E-002 +3.27000000E+000 +1.07600000E+004 /
C4H6-1+HO2=>C2H5CHO+H+CO                          +5.77000000E+016 -1.70000000E+000 +2.00300000E+004 !\Author: HL !\Ref: ANALOGY TO C3H4-P+HO2=>CH3CHO+H+CO, \Ref: ANALOGY TO C2H2+HO2 GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +9.10000000E+013 -1.17000000E+000 +1.37500000E+004 /
PLOG /                           +1.00000000E-002 +1.97000000E+001 +2.56000000E+000 +7.38200000E+003 /
PLOG /                           +1.00000000E-001 +9.94000000E+000 +2.64000000E+000 +7.25300000E+003 /
PLOG /                           +1.00000000E-001 +3.63000000E+013 -1.05000000E+000 +1.35200000E+004 /
PLOG /                           +3.16000000E-001 +6.05000000E-006 +4.34000000E+000 +4.52500000E+003 /
PLOG /                           +3.16000000E-001 +1.61000000E+010 -0.00000000E+000 +1.17200000E+004 /
PLOG /                           +1.00000000E+000 +7.77000000E+102 -2.41800000E+001 +1.38600000E+005 /
PLOG /                           +1.00000000E+000 +1.88000000E+008 +6.00000000E-001 +1.08500000E+004 /
PLOG /                           +3.16000000E+000 +1.22000000E+016 -1.75000000E+000 +1.51800000E+004 /
PLOG /                           +3.16000000E+000 +8.26000000E+000 +2.69000000E+000 +8.02500000E+003 /
PLOG /                           +1.00000000E+001 +1.71000000E+036 -7.77000000E+000 +2.69700000E+004 /
PLOG /                           +1.00000000E+001 +2.30000000E+007 +9.10000000E-001 +1.17100000E+004 /
PLOG /                           +3.16000000E+001 +4.14000000E+028 -5.30000000E+000 +2.51300000E+004 /
PLOG /                           +3.16000000E+001 +4.19000000E+004 +1.70000000E+000 +1.12500000E+004 /
PLOG /                           +1.00000000E+002 +5.77000000E+016 -1.70000000E+000 +2.00300000E+004 /
PLOG /                           +1.00000000E+002 +1.01000000E-005 +4.31000000E+000 +6.82900000E+003 /
!===========================================================================================================
!\SUBSPECIES: C4H5-3
!===========================================================================================================
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C4H5-I=C4H5-3                                   3.29E-12        6.24    43880.0    !Ribeiro 2017 QM
  PLOG/1.000E-02    5.26E+101      -28.66    93030.0/
  PLOG/1.000E-02    1.30E+60      -19.07    50260.0/                            ! fit btw. 300 and 1600 K with MAE of 40.7%, 76.1%
  PLOG/1.000E-01    2.90E+89      -23.99    98660.0/
  PLOG/1.000E-01    2.10E+109      -32.49    83890.0/                           ! fit btw. 500 and 1700 K with MAE of 19.8%, 42.0%
!  PLOG/1.000E+00    -1.72E+04        0.59    43450.0/
!  PLOG/1.000E+00    2.10E-07        4.13    40320.0/                            ! fit btw. 298 and 1800 K with MAE of 112.5%, 452.1%
!  PLOG/1.000E+01    -2.91E+04        0.89    46390.0/
!  PLOG/1.000E+01    1.99E-07        4.53    43290.0/                            ! fit btw. 298 and 2000 K with MAE of 116.4%, 476.4%
  PLOG/1.000E+00    1.81E-01        2.36    43870.0/                            ! fit btw. 298 and 1800 K with MAE of 193.4%, 1760.7%
  PLOG/1.000E+01    1.73E-01        2.78    47020.0/                            ! fit btw. 298 and 2000 K with MAE of 195.1%, 1093.3%
  PLOG/1.000E+02    6.38E-32       11.19    33130.0/
  PLOG/1.000E+02    4.12E+53      -12.34    84320.0/                            ! fit btw. 298 and 2000 K with MAE of 12.6%, 44.8%
C4H5-N=C4H5-3                                   1.96E+15       -1.10    49660.0
  PLOG/1.000E-02    7.83E+45      -11.83    55510.0/
  PLOG/1.000E-02    3.55E+49      -13.22    51050.0/                            ! fit btw. 298 and 1400 K with MAE of 39.6%, 188.5%
  PLOG/1.000E-01    6.57E+48      -12.23    55120.0/
  PLOG/1.000E-01    2.78E+41      -13.60    39950.0/                            ! fit btw. 298 and 1500 K with MAE of 12.0%, 28.7%
  PLOG/1.000E+00    6.33E+72      -18.82    70620.0/
  PLOG/1.000E+00    7.75E+27       -5.60    49400.0/                            ! fit btw. 298 and 1600 K with MAE of 8.7%, 29.5%
  PLOG/1.000E+01    1.15E+43       -9.51    60210.0/
  PLOG/1.000E+01    2.86E-01      -21.49    -41530.0/                           ! fit btw. 298 and 1800 K with MAE of 26.8%, 79.3%
!  PLOG/1.000E+02    -7.91E+20       -3.20    48420.0/
!  PLOG/1.000E+02    1.62E+09        0.66    45360.0/                            ! fit btw. 300 and 1900 K with MAE of 69.9%, 339.8%
  PLOG/1.000E+02    1.96E+15       -1.10    49660.0/                            ! fit btw. 300 and 1900 K with MAE of 105.7%, 452.9%
C4H5-3=C4H5-2                                   3.14E-19        8.16    46200.0
  PLOG/1.000E-02    7.70E+71      -20.07    79290.0/
  PLOG/1.000E-02    2.29E+77      -22.52    63460.0/                            ! fit btw. 298 and 1600 K with MAE of 94.2%, 246.9%
  PLOG/1.000E-01    2.82E+42      -11.47    55290.0/
  PLOG/1.000E-01    5.79E+88      -30.83    50370.0/                            ! fit btw. 300 and 1700 K with MAE of 52.4%, 224.0%
  PLOG/1.000E+00    1.03E+38       -9.22    64540.0/
  PLOG/1.000E+00    3.27E-45      -10.78    -64450.0/                           ! fit btw. 298 and 1900 K with MAE of 6.1%, 23.0%
  PLOG/1.000E+01    4.13E+27       -5.52    67350.0/
  PLOG/1.000E+01    8.46E+12       -6.50    40990.0/                            ! fit btw. 300 and 2000 K with MAE of 32.7%, 81.3%
  PLOG/1.000E+02    4.02E-41       13.52    33300.0/
  PLOG/1.000E+02    6.75E+42       -9.34    84270.0/                            ! fit btw. 300 and 2000 K with MAE of 24.0%, 99.1%
C4H5-3=C4H5-4                                  2.18E+12        0.02    42860.0
  PLOG/1.000E-02    3.19E+60      -15.23    60840.0/
  PLOG/1.000E-02    1.59E+33       -7.46    45870.0/                            ! fit btw. 298 and 1300 K with MAE of 1.0%, 3.0%
  PLOG/1.000E-01    4.75E+57      -14.00    61830.0/
  PLOG/1.000E-01    1.20E+28       -5.69    44850.0/                            ! fit btw. 298 and 1400 K with MAE of 1.6%, 2.8%
  PLOG/1.000E+00    1.58E+54      -12.60    62800.0/
  PLOG/1.000E+00    5.82E+21       -3.54    43530.0/                            ! fit btw. 298 and 1500 K with MAE of 2.6%, 6.0%
  PLOG/1.000E+01    7.87E+48      -10.71    62930.0/
  PLOG/1.000E+01    6.10E+16       -1.83    42490.0/                            ! fit btw. 298 and 1700 K with MAE of 4.1%, 10.5%
  PLOG/1.000E+02    2.29E+33       -5.98    55990.0/
  PLOG/1.000E+02    6.57E+21       -3.55    43540.0/                            ! fit btw. 298 and 2000 K with MAE of 7.7%, 22.0%
C4H5-3=BUTA123TRIENE+H                                   1.73E+06        1.27    68360.0
  PLOG/1.000E-02    5.53E+63      -17.82    75510.0/
  PLOG/1.000E-02    4.38E-38      -38.12    -133100.0/                          ! fit btw. 298 and 1600 K with MAE of 102.4%, 403.7%
  PLOG/1.000E-01    4.88E+41      -10.52    72650.0/
  PLOG/1.000E-01    1.59E-32      -30.25    -98370.0/                           ! fit btw. 298 and 1700 K with MAE of 18.3%, 132.3%
  PLOG/1.000E+00    4.89E+16       -2.66    63570.0/
  PLOG/1.000E+00    3.94E+09       -5.14    43740.0/                            ! fit btw. 298 and 1900 K with MAE of 46.4%, 137.1%
  PLOG/1.000E+01    1.27E+44      -10.11    83350.0/
  PLOG/1.000E+01    1.75E+16       -2.43    67510.0/                            ! fit btw. 298 and 2000 K with MAE of 5.5%, 17.1%
  PLOG/1.000E+02    2.50E+40       -8.54    88370.0/
  PLOG/1.000E+02    1.73E-01        2.66    63100.0/                            ! fit btw. 298 and 2000 K with MAE of 11.9%, 31.9%
C4H5-3=C4H4+H                                   5.15E+16       -0.86    47670.0
  PLOG/1.000E-02    2.22E+57      -13.68    62860.0/
  PLOG/1.000E-02    3.50E+38       -8.52    51490.0/                            ! fit btw. 298 and 1600 K with MAE of 1.3%, 2.7%
  PLOG/1.000E-01    7.75E+50      -11.46    61460.0/
  PLOG/1.000E-01    5.36E+33       -6.92    50320.0/                            ! fit btw. 298 and 1700 K with MAE of 3.7%, 7.6%
  PLOG/1.000E+00    5.65E+51      -11.38    64840.0/
  PLOG/1.000E+00    1.93E+29       -5.27    49820.0/                            ! fit btw. 298 and 1900 K with MAE of 2.7%, 9.0%
  PLOG/1.000E+01    1.38E+48      -10.03    65880.0/
  PLOG/1.000E+01    6.01E+23       -3.38    48690.0/                            ! fit btw. 298 and 2000 K with MAE of 3.8%, 11.8%
  PLOG/1.000E+02    4.10E+43       -8.48    66420.0/
  PLOG/1.000E+02    4.09E+18       -1.64    47520.0/                            ! fit btw. 298 and 2000 K with MAE of 4.2%, 12.2%
C4H5-3=C2H3+C2H2                                   4.23E+22       -2.76    70300.0
  PLOG/1.000E-02    5.12E+67      -18.02    77140.0/
  PLOG/1.000E-02    8.60E+34       -8.24    61110.0/                            ! fit btw. 298 and 1600 K with MAE of 2.0%, 4.0%
  PLOG/1.000E-01    5.86E+63      -16.22    77530.0/
  PLOG/1.000E-01    5.17E+36       -8.26    63900.0/                            ! fit btw. 298 and 1700 K with MAE of 2.2%, 7.1%
  PLOG/1.000E+00    1.58E+60      -14.55    79810.0/
  PLOG/1.000E+00    7.90E+33       -6.99    65950.0/                            ! fit btw. 298 and 1900 K with MAE of 3.4%, 12.0%
  PLOG/1.000E+01    7.62E+57      -13.34    84150.0/
  PLOG/1.000E+01    2.79E+24       -3.83    66110.0/                            ! fit btw. 298 and 2000 K with MAE of 6.2%, 20.1%
!  PLOG/1.000E+02    -3.07E+29       -3.84    94770.0/
!  PLOG/1.000E+02    2.97E+12        0.40    66990.0/                            ! fit btw. 298 and 2000 K with MAE of 38.5%, 129.6%
  PLOG/1.000E+02    4.23E+22       -2.76    70300.0/                            ! fit btw. 298 and 2000 K with MAE of 80.9%, 344.7%
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C4H5-3+CH3(+M)<=>IC5T1(+M)                       +1.00000000E+014 -3.20000000E-001 -2.62300000E+002 !\Author: HL, ANALOGY WITH C4H71-3+CH3=CC5H10 !\Ref: TSANG '91 !\Comment: WARNING 
LOW /                                             +3.91000000E+060 -1.28100000E+001 +6.25000000E+003 /
TROE /                           +1.04000000E-001 +1.60600000E+003 +6.00000000E+004 +6.11840000E+003 /
AR / +0.7000 / CO / +1.5000 / H2 / +2.0000 / CH4 / +2.0000 / CO2 / +2.0000 / C2H6 / +3.0000 / H2O / +6.0000 / 

C5H82-3<=>CH3+C4H5-3 4.456255E+95	-23.13	127200  !AUTHOR: HL ANALOGY WITH C4H612=C3H3+CH3 LOCKHART2017 A*0.5 EA+2KCAL
PLOG /	0.039473684	1.7337E+127	-32.04	153300 /
PLOG /	0.078947368	1.8154E+148	-37.72	172400 /
PLOG /	0.157894737	0.6902E+156	-39.63	182200 /
PLOG /	0.315789474	4.456255E+95	-23.13	127200 /
C4H5-3+O<=>CH3CHO+C2H                                 +2.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: HL !\Ref:ANALOGY WITH C3H3+O<=>CH2O+C2H, \Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C4H5-3+O<=>C2HCHO+CH3                                 +6.03000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: HL !\Ref:ANALOGY WITH C4H71-3+O<=>C2H3CHO+CH3, \Ref: IN ARAMCO(ESTIMATE) !\Comment: WARNING 
C4H5-3+O<=>C2HCOCH3+H                                 +1.40000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: HL !\Ref:ANALOGY WITH C3H3+O<=>C2HCHO+H, \Ref: KUKKADAPU1@LLNL.GOV, BASED ON RECOMMENDATION FROM SLAGLE ET AL., PROCI 23(1991), 115-121 !\Comment: WARNING 
!C4H5-3+O2<=>HCO+CH3CHCO                                +1.70000000E+005 +1.70000000E+000 +1.50000000E+003 !\Author: HL !\Ref:ANALOGY WITH C3H3+O2<=>CH2CO+HCO, \Ref: DAVID K. HAHN,FARADAY DISCUSS., 2002, 119, 79-100 !\Comment: WARNING 
C4H5-3+O2<=>HCO+CH3CHCO                                +0.85000000E+005 +1.70000000E+000 +1.50000000E+003 !\Author: HL A*0.5!\Ref:ANALOGY WITH C3H3+O2<=>CH2CO+HCO, \Ref: DAVID K. HAHN,FARADAY DISCUSS., 2002, 119, 79-100 !\Comment: WARNING 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+HO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C4H5-3+HO2<=>CH3C3H2O+OH                               +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: HL !\Ref: ANALOGY WITH C3H3+HO2<=>C3H3O+OH !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
C4H5-3+HO2<=>C4H612OOH                                +4.73000000E+025 -4.13000000E+000 +2.92380000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C3H5-A+HO2 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.91000000E+031 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +6.31000000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +1.03000000E+045 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +2.79000000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +4.73000000E+025 -4.13000000E+000 +2.92380000E+003 /
C4H5-3+HO2<=>C2HCOCH3+H2O                             +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 !\Author: HL !\Ref: ANALOGY WITH C3H3+HO2<=>C2HCHO+H2O !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.09000000E+000 +3.01000000E+000 -3.42110000E+003 /
PLOG /                           +1.00000000E-001 +6.35000000E+001 +2.50000000E+000 -2.34140000E+003 /
PLOG /                           +1.00000000E+000 +6.05000000E+005 +1.39000000E+000 +5.95100000E+002 /
PLOG /                           +1.00000000E+001 +3.10000000E+005 +1.59000000E+000 +2.67760000E+003 /
PLOG /                           +1.00000000E+002 +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+OH<=>PRODUCTS
C4H5-3+OH<=>C3H5-S+HCO                                +2.29000000E+036 -6.25000000E+000 +2.41000000E+004 !\Author: HL !\Ref:ANALOGY WITH C3H3+OH<=>C2H3+HCO, \Ref: VANUZZO, BALUCANI, LEONORI, STRANGES, FALCINELLI, BERGEAT, CASAVECCHIA, GIMONDI, CAVALLOTTI, J. PHYS. CHEM. LETT. 2016, 7, 1010-1015 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +1.07088000E+019 -1.65000000E+000 +4.47000000E+003 /
PLOG /                           +1.00000000E+000 +1.09582000E+019 -1.65000000E+000 +4.62800000E+003 /
PLOG /                           +1.00000000E+001 +4.56815000E+025 -3.41000000E+000 +1.20900000E+004 /
PLOG /                           +3.00000000E+001 +2.29000000E+036 -6.25000000E+000 +2.41000000E+004 /
C4H5-3+OH=C4H4+H2O	2.00E+13	0	0.00E+00   !HL   BELMEKKI2001
!___________________________________________________________________________________________________________ 
!===========================================================================================================
!\ENDSUBSPECIES: C4H5-3
!===========================================================================================================
!\SUBSPECIES: C4H5-4
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C4H5-I=C4H5-4                                  1.93E+09        0.47    58010.0
  PLOG/1.000E-02    1.33E+19       -4.52    51970.0/
  PLOG/1.000E-02    4.72E+00      -10.85    3494.0/                             ! fit btw. 298 and 1300 K with MAE of 47.8%, 138.8%
  PLOG/1.000E-01    4.47E+49      -13.01    67320.0/
  PLOG/1.000E-01    1.41E+12      -23.62    -20600.0/                           ! fit btw. 298 and 1400 K with MAE of 5.3%, 13.2%
  PLOG/1.000E+00    1.93E+58      -14.87    75050.0/
  PLOG/1.000E+00    6.75E+26       -6.33    57690.0/                            ! fit btw. 298 and 1500 K with MAE of 2.5%, 6.7%
!  PLOG/1.000E+01    -7.27E+28       -6.09    60100.0/
!  PLOG/1.000E+01    1.64E+18       -2.55    57450.0/                            ! fit btw. 298 and 1700 K with MAE of 56.3%, 215.5%
  PLOG/1.000E+01    2.40E+24       -4.32    62110.0/                            ! fit btw. 298 and 1700 K with MAE of 88.8%, 469.0%
  PLOG/1.000E+02    5.46E-36       12.53    36450.0/
  PLOG/1.000E+02    5.88E+49      -11.20    80510.0/                            ! fit btw. 298 and 2000 K with MAE of 13.0%, 33.4%
C4H5-N=C4H5-4                                  1.19E+13       -0.50    43070.0
  PLOG/1.000E-02    1.12E+54      -14.63    54160.0/
  PLOG/1.000E-02    9.98E+19       -4.67    38070.0/                            ! fit btw. 298 and 1300 K with MAE of 1.0%, 2.1%
  PLOG/1.000E-01    4.12E+54      -14.11    57020.0/
  PLOG/1.000E-01    6.34E+15       -2.97    38060.0/                            ! fit btw. 298 and 1400 K with MAE of 1.6%, 3.8%
  PLOG/1.000E+00    5.11E+54      -13.52    59820.0/
  PLOG/1.000E+00    4.25E+14       -2.36    38520.0/                            ! fit btw. 298 and 1500 K with MAE of 2.4%, 8.0%
  PLOG/1.000E+01    2.91E+21       -3.24    46300.0/
  PLOG/1.000E+01    5.98E+14       -5.36    28610.0/                            ! fit btw. 298 and 1700 K with MAE of 43.1%, 144.3%
!  PLOG/1.000E+02    -1.76E+19       -1.46    59680.0/
!  PLOG/1.000E+02    4.70E-01        3.79    39280.0/                            ! fit btw. 298 and 1900 K with MAE of 39.6%, 215.8%
  PLOG/1.000E+02    1.19E+13       -0.50    43070.0/                            ! fit btw. 298 and 1900 K with MAE of 83.5%, 339.4%
C4H5-2=C4H5-4                                  3.30E+43       -9.48    87220.0
!  PLOG/1.000E-02    -3.85E+36      -10.82    96940.0/
!  PLOG/1.000E-02    2.16E+26       -6.44    63180.0/                            ! fit btw. 298 and 1300 K with MAE of 125.9%, 524.1%
  PLOG/1.000E-02    1.94E+32       -8.26    65420.0/                            ! fit btw. 298 and 1300 K with MAE of 128.2%, 536.4%
  PLOG/1.000E-01    8.15E+32       -7.53    80670.0/
  PLOG/1.000E-01    1.77E+37       -9.52    68100.0/                            ! fit btw. 298 and 1400 K with MAE of 23.6%, 110.4%
  PLOG/1.000E+00    2.18E+41      -10.01    74000.0/
  PLOG/1.000E+00    1.39E+07      -10.61    23250.0/                            ! fit btw. 298 and 1500 K with MAE of 5.8%, 14.5%
  PLOG/1.000E+01    5.01E+40       -9.22    78790.0/
  PLOG/1.000E+01    1.61E-11      -18.86    -29510.0/                           ! fit btw. 298 and 1700 K with MAE of 15.5%, 58.4%
  PLOG/1.000E+02    1.14E+57      -13.31    96760.0/
  PLOG/1.000E+02    4.93E+23       -4.18    74340.0/                            ! fit btw. 500 and 2000 K with MAE of 1.1%, 2.7%
C4H5-4=BUTA123TRIENE+H                                  9.15E+13       -1.10    58430.0
  PLOG/1.000E-02    1.13E-16        5.63    30720.0/
!  PLOG/1.000E-02    0.00E+00        0.00    0.0/                                ! fit btw. 600 and 1300 K with MAE of 49.0%, 146.5%
  PLOG/1.000E-01    1.13E+33       -8.25    55790.0/
  PLOG/1.000E-01    5.34E+00       -5.38    8595.0/                             ! fit btw. 400 and 1400 K with MAE of 3.0%, 5.6%
  PLOG/1.000E+00    9.48E+40       -9.92    64230.0/
  PLOG/1.000E+00    2.99E+66      -18.34    69350.0/                            ! fit btw. 400 and 1500 K with MAE of 3.4%, 7.9%
  PLOG/1.000E+01    4.53E+39       -9.06    66640.0/
  PLOG/1.000E+01    1.06E+18       -3.02    54650.0/                            ! fit btw. 298 and 1700 K with MAE of 1.5%, 2.8%
  PLOG/1.000E+02    2.54E+37       -7.87    71930.0/
  PLOG/1.000E+02    9.33E+03        1.53    53410.0/                            ! fit btw. 298 and 2000 K with MAE of 5.6%, 13.4%
C4H5-4=C4H4+H                                  1.47E+15       -0.62    37130.0
  PLOG/1.000E-02    8.35E+60      -15.25    52680.0/
  PLOG/1.000E-02    1.16E+33       -6.92    39880.0/                            ! fit btw. 298 and 1300 K with MAE of 0.6%, 1.2%
  PLOG/1.000E-01    5.30E+53      -12.65    52160.0/
  PLOG/1.000E-01    6.17E+27       -5.13    38980.0/                            ! fit btw. 298 and 1400 K with MAE of 0.8%, 1.9%
  PLOG/1.000E+00    7.39E+45       -9.95    51130.0/
  PLOG/1.000E+00    8.40E+25       -4.48    38650.0/                            ! fit btw. 298 and 1500 K with MAE of 1.4%, 3.4%
  PLOG/1.000E+01    3.50E+40       -8.10    51060.0/
  PLOG/1.000E+01    1.09E+21       -2.80    37700.0/                            ! fit btw. 298 and 1700 K with MAE of 2.3%, 6.6%
  PLOG/1.000E+02    5.62E+35       -6.47    51260.0/
  PLOG/1.000E+02    1.12E+17       -1.42    36900.0/                            ! fit btw. 298 and 2000 K with MAE of 3.1%, 9.6%
C4H5-4=C2H3+C2H2                                  1.04E+20       -2.13    52780.0
  PLOG/1.000E-02    2.00E+63      -17.22    61340.0/
  PLOG/1.000E-02    6.43E+29       -6.97    46750.0/                            ! fit btw. 298 and 1300 K with MAE of 1.2%, 3.6%
  PLOG/1.000E-01    1.66E+59      -15.25    61630.0/
  PLOG/1.000E-01    1.21E+32       -7.12    49020.0/                            ! fit btw. 298 and 1400 K with MAE of 0.8%, 1.4%
  PLOG/1.000E+00    1.18E+54      -13.03    62490.0/
  PLOG/1.000E+00    7.83E+30       -6.35    50590.0/                            ! fit btw. 298 and 1500 K with MAE of 1.1%, 1.9%
  PLOG/1.000E+01    1.24E+50      -11.27    64870.0/
  PLOG/1.000E+01    1.48E+28       -5.36    51390.0/                            ! fit btw. 298 and 1700 K with MAE of 2.1%, 5.2%
  PLOG/1.000E+02    6.77E+50      -11.04    70480.0/
  PLOG/1.000E+02    2.09E+10        0.52    48240.0/                            ! fit btw. 298 and 2000 K with MAE of 9.3%, 29.4%
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>PRODUCTS
!___________________________________________________________________________________________________________ 
HO2+C4H5-4=C4H5O1-4+OH                           +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: HL !\Ref:ANALOGY WITH C4H71-4+HO2<=>C4H7O1-4+OH, \Ref: WARNING !\Comment: WARNING 
O2+C4H5-4<=>C4H4+HO2                             +1.00000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: HL !\Ref:ANALOGY WITH C4H71-4+O2<=>C4H6+HO2, \Ref: !JET SURF 2.0, ADD 2505 KWZ !\Comment: WARNING 
O2+C4H5-4<=>C4H5-4O2                             +6.86500000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: HL !\Ref:ANALOGY WITH C4H71-4+O2<=>C4H71-4O2, \Ref: WARNING !\Comment: WARNING 
C4H5-4=C2H+C2H4	2.00E+14	0	5.70E+04 !HIDAKA
!___________________________________________________________________________________________________________ 
!===========================================================================================================
!\ENDSUBSPECIES: C4H5-4
!===========================================================================================================
!!! SMALL SPECIES
C2H5CHCO+OH<=>C3H6OH1-1+CO                           +2.00000000E+012 +0.00000000E+000 -1.01000000E+003 !\Author: HL !\Ref:ANALOGY WITH CH3CHCO+OH<=>SC2H4OH+CO, \Ref: ESTIMATE !\Comment: WARNING 
C2H5CHCO+O<=>C2H5CHO+CO                             +3.20000000E+012 +0.00000000E+000 -4.37000000E+002 !\Author: HL !\Ref:ANALOGY WITH CH3CHCO+O<=>CH3CHO+CO, \Ref: ESTIMATE !\Comment: WARNING 
C3H5-S+CO(+M)<=>C2H5CCO(+M)                       +5.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: HL !\Ref:ANALOGY WITH C2H3+CO(+M)<=>CH3CCO(+M), \Ref: GRI3.0 !\Comment: WARNING 
LOW /                                             +2.69000000E+028 -3.74000000E+000 +1.93600000E+003 /
TROE /                           +5.75700000E-001 +2.37000000E+002 +1.65200000E+003 +5.06900000E+003 /
AR / +0.7000 / CO / +1.5000 / CO2 / +2.0000 / H2 / +2.0000 / CH4 / +2.0000 / C2H6 / +3.0000 / H2O / +6.0000 / 
C2H5CCO+O2=>C2H5CO+CO+O                           +2.18000000E+002 +2.69200000E+000 +3.54100000E+003 !\Author: HL !\Ref:ANALOGY WITH CH3CCO+O2=>CH3CO+CO+O, \Ref: S.J. KLIPPENSTEIN ET AL. PROC. COMBUST. INST. 29(2002) 1209-1217 !\Comment: HCCO+O2=>HCO+CO+O 
C2H5CCO+OH<=>CO+C2H5COH                           +1.50000000E+014 -5.75000000E-002 +2.60770000E+002 !\Author: HL !\Ref:ANALOGY WITH CH3CCO+OH<=>CO+CH3COH, \Ref: \RefIT OF XIONG ET AL COMBUST. FLAME, 161(2014) 885-897 !\Comment: HCCO+OH<=>CO+HCOH 
C2H5COH+O2=>CO2+C2H5+OH                           +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: HL !\Ref:ANALOGY WITH CH3COH+O2=>CO2+CH3+OH, \Ref: MARINOV 1996 !\Comment: WARNING 
C2H5COH+O2<=>CO2+C2H5OH                           +3.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: HL !\Ref:ANALOGY WITH CH3COH+O2<=>CO2+CH3OH, \Ref: MARINOV 1996 !\Comment: WARNING 
C2H5COH+O=>CO2+H+C2H5                             +5.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: HL !\Ref:ANALOGY WITH CH3COH+O=>CO2+H+CH3, \Ref: MARINOV 1996 !\Comment: WARNING 
C2H5COH+O=>CO+OH+C2H5                             +3.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: HL !\Ref:ANALOGY WITH CH3COH+O=>CO+OH+CH3, \Ref: MARINOV 1996 !\Comment: WARNING 
C2H5COH+H<=>CH2O+C2H5                             +2.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: HL !\Ref:ANALOGY WITH CH3COH+H<=>CH2O+CH3, \Ref: MARINOV 1996 !\Comment: WARNING 
C2H5COH+OH<=>C2H5CO+H2O                           +2.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: HL !\Ref:ANALOGY WITH CH3COH+OH<=>CH3CO+H2O, \Ref: MARINOV 1996 !\Comment: WARNING 
CH3C3H2O=>C4H4O+H                                 +2.57000000E+020 -2.06000000E+000 +2.20401000E+004 !\Author: HL !\Ref:ANALOGY WITH C3H3O=>C2HCHO+H, \Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325 3346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +3.00000000E+015 -2.31000000E+000 +1.46679000E+004 /
PLOG /                           +1.00000000E-002 +1.50000000E+022 -3.96000000E+000 +1.82830000E+004 /
PLOG /                           +1.00000000E-001 +1.95000000E+023 -3.99000000E+000 +1.91433000E+004 /
PLOG /                           +1.00000000E+000 +1.15000000E+025 -4.24000000E+000 +2.03112000E+004 /
PLOG /                           +1.00000000E+001 +1.76000000E+028 -4.89000000E+000 +2.27652000E+004 /
PLOG /                           +1.00000000E+002 +1.41000000E+027 -4.28000000E+000 +2.37706000E+004 /
PLOG /                           +1.00000000E+003 +2.57000000E+020 -2.06000000E+000 +2.20401000E+004 /
C2H5CCHOH+O2<=>C2H5COCHO+OH                        +2.53000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: HL !\Ref:ANALOGY WITH PC3H4OH-2+O2<=>CH3COCHO+OH, \Ref: ANALOGY TO C2H2OH+O2<=>CHOCHO+OH M.SIESE, C.ZETZSCH, Z. PHYS. CHEM. 188(1995) 75-89 !\Comment: WARNING 
C2H5COHCH<=>C2H5COCH2                               +4.07000000E+051 -1.16600000E+001 +5.00200000E+004 !\Author: HL !\Ref:ANALOGY WITH CH3C(OH)CH=CH3COCH2, \Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
C2H5COHCH<=>CH2CO+C2H5                              +6.80000000E+031 -5.55000000E+000 +4.46200000E+004 !\Author: HL !\Ref:ANALOGY WITH CH3C(OH)CH=CH2CO+CH3, \Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
C2H5CCHO+OH=>CH3CHCCO+H2O+H                       +1.58000000E+007 +1.80000000E+000 +9.34000000E+002 !\Author: HL !\Ref:ANALOGY WITH CH3CCHO+OH=>CH2CCO+H2O+H, \Ref: ANOLOGY TO PROPANE !\Comment: WARNING 
C2H5CCHO+HO2=>CH3CHCCO+H2O2+H                     +4.82000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: HL !\Ref:ANALOGY WITH CH3CCHO+HO2=>CH2CCO+H2O2+H, \Ref: CURRAN ESTIMATE TSANG '88 PRIMARY H !\Comment: WARNING 
C2H5CCHO+O2=>CO2+H+C2H5CO                         +2.10000000E+009 +9.92900000E-001 -2.69000000E+002 !\Author: HL !\Ref:ANALOGY WITH CH3CCHO+O2=>CO2+H+CH3CO, \Ref: ANALOGY TO CHCHO+O2<=>CO2+H+HCO GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
C2H5CCHO+O2<=>C2H5COCHO+O                         +1.30000000E+006 +2.42020000E+000 +1.60400000E+003 !\Author: HL !\Ref:ANALOGY WITH CH3CCHO+O2<=>CH3COCHO+O, \Ref: ANALOGY TO CHCHO+O2<=>CHOCHO+O GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
CH3CHCCO<=>C3H4-P+CO                              +8.69000000E+017 -1.81000000E+000 +1.36567000E+004 !\Author: HL !\Ref:ANALOGY WITH CH2CCO<=>C2H2+CO, \Ref: WARNING !\Comment: ISOMERISATION PATHWAY OF CH3OCO<=>CH2OCHO NO LONGER INCLUDED AS IN DAMES MECHANISM 
PLOG /                           +5.00000000E-002 +9.72000000E+012 -1.31000000E+000 +9.41670000E+003 /
PLOG /                           +1.00000000E+000 +1.25000000E+016 -1.83000000E+000 +1.13408000E+004 /
PLOG /                           +1.00000000E+001 +1.04000000E+018 -2.10000000E+000 +1.28269000E+004 /
PLOG /                           +1.00000000E+002 +8.69000000E+017 -1.81000000E+000 +1.36567000E+004 /
C3H6CHO-1<=>C3H6CHO-2                             +1.11000000E+020 -2.19000000E+000 +4.27800000E+004 !\Author: HL !\Ref:ANALOGY WITH CH3CHCHO=CH2CH2CHO, \Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 \COMMENT !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +1.23000000E+065 -1.80100000E+001 +5.15000000E+004 /
PLOG /                           +9.86900000E-004 +9.43000000E+016 -3.28000000E+000 +3.19500000E+004 /
PLOG /                           +9.86900000E-003 +2.43000000E+027 -5.88000000E+000 +3.81100000E+004 /
PLOG /                           +9.86900000E-003 +5.64000000E+002 -7.68000000E+000 -2.36700000E+003 /
PLOG /                           +9.86900000E-002 +3.53000000E+021 -3.61000000E+000 +3.78800000E+004 /
PLOG /                           +9.86900000E-002 +3.42000000E-001 -8.98000000E+000 -1.12400000E+004 /
PLOG /                           +9.86900000E-001 +1.44000000E+012 -5.30000000E-001 +3.52900000E+004 /
PLOG /                           +9.86900000E-001 +1.44000000E+012 -5.30000000E-001 +3.52900000E+004 /
PLOG /                           +9.86900000E+000 +1.36000000E+034 -6.67000000E+000 +4.74100000E+004 /
PLOG /                           +9.86900000E+000 +1.68000000E+001 +2.48000000E+000 +2.98800000E+004 /
PLOG /                           +9.86900000E+001 +1.11000000E+020 -2.19000000E+000 +4.27800000E+004 /
PLOG /                           +9.86900000E+001 +6.70000000E-008 +5.27000000E+000 +2.78200000E+004 /
C3H6CHO-1<=>C4H63,1-1OH                           1.92E-06    4.920   22300 !\Author: HL !\Ref:ANALOGY WITH CH3CHCHO=CH2CHCHOH, \Ref:  ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35 (2015) 181-188 \COMMENT !\COMMENT: WARNING
PLOG /  9.87E-04  1.12E+43  -10.330   41010 /
PLOG /  9.87E-04  1.09E-10    4.950   15900 /
PLOG /  9.87E-03  3.13E-10    4.870   16270 /
PLOG /  9.87E-03  9.34E+40   -9.390   41980 /
!DONG 1027 CONVERGE \RefIT!PLOG /  9.87E-02 -1.11E+14   -1.820   24810 /
!DONG 1027 CONVERGE \RefIT!PLOG /  9.87E-02  6.50E+00    2.570   21470 /
PLOG /  9.87E-02  1.34E-06    4.607	  20000.2 / ! fit btw. 500 and 2000 K with MAE of 70%, 30%
PLOG /  9.87E-02  2.66E+04	 -3.600	  21000.0 /
!DONG 1027 CONVERGE \RefIR!PLOG /  9.87E-01 -3.42E+08    0.030   23400 /
!DONG 1027 CONVERGE \RefIR!PLOG /  9.87E-01  6.36E-03    3.590   20710 /
PLOG /  9.87E-01  1.22E+03    2.067	  25000.17 / ! fit btw. 500 and 2000 K with MAE of 70%, 30%
PLOG /  9.87E-01  2.87E+04	 -3.500	  21100.00 /
PLOG /  9.87E+00  5.94E+23   -3.690   38040 /
PLOG /  9.87E+00  8.77E-15    6.500   15570 /
PLOG /  9.87E+01  3.51E+16   -1.470   35170 /
PLOG /  9.87E+01  6.25E-17    7.200   14980 /
C3H6CHO-1<=>NC3H7+CO                              +1.70000000E+028 -4.59000000E+000 +5.16000000E+004 !\Author: HL !\Ref:ANALOGY WITH CH3CHCHO=C2H5+CO, \Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 \COMMENT !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +1.19000000E+024 -4.69000000E+000 +4.16100000E+004 /
PLOG /                           +9.86900000E-003 +2.15000000E+048 -1.16000000E+001 +5.44700000E+004 /
PLOG /                           +9.86900000E-003 +9.02000000E+017 -3.22000000E+000 +3.81400000E+004 /
PLOG /                           +9.86900000E-002 +4.35000000E+047 -1.10600000E+001 +5.58400000E+004 /
PLOG /                           +9.86900000E-002 +1.23000000E+017 -2.75000000E+000 +3.85500000E+004 /
PLOG /                           +9.86900000E-001 +7.95000000E+043 -9.64000000E+000 +5.60400000E+004 /
PLOG /                           +9.86900000E-001 +9.89000000E+013 -1.61000000E+000 +3.81800000E+004 /
PLOG /                           +9.86900000E+000 +5.14000000E+023 -3.52000000E+000 +4.68700000E+004 /
PLOG /                           +9.86900000E+000 +9.51000000E+000 -7.24000000E+000 +1.18400000E+003 /
PLOG /                           +9.86900000E+001 +1.70000000E+028 -4.59000000E+000 +5.16000000E+004 /
PLOG /                           +9.86900000E+001 +3.95000000E+005 +1.31000000E+000 +3.65900000E+004 /
C3H6CHO-1<=>C3H6+HCO                              +1.08000000E+046 -9.23000000E+000 +6.70300000E+004 !\Author: HL !\Ref:ANALOGY WITH CH3CHCHO=C2H4+HCO, \Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 \COMMENT !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +4.29000000E+053 -1.31600000E+001 +5.31300000E+004 /
PLOG /                           +9.86900000E-004 +3.11000000E+035 -8.14000000E+000 +4.25000000E+004 /
PLOG /                           +9.86900000E-003 +3.44000000E+053 -1.28200000E+001 +5.48200000E+004 /
PLOG /                           +9.86900000E-003 +1.21000000E+036 -8.06000000E+000 +4.40500000E+004 /
PLOG /                           +9.86900000E-002 +1.18000000E+053 -1.23700000E+001 +5.68800000E+004 /
PLOG /                           +9.86900000E-002 +2.69000000E+032 -6.63000000E+000 +4.47600000E+004 /
PLOG /                           +9.86900000E-001 +6.35000000E+049 -1.10600000E+001 +5.83300000E+004 /
PLOG /                           +9.86900000E-001 +2.18000000E+029 -5.57000000E+000 +4.53100000E+004 /
PLOG /                           +9.86900000E+000 +1.25000000E+047 -9.92000000E+000 +6.12600000E+004 /
PLOG /                           +9.86900000E+000 +5.08000000E+021 -3.11000000E+000 +4.45400000E+004 /
PLOG /                           +9.86900000E+001 +1.08000000E+046 -9.23000000E+000 +6.70300000E+004 /
PLOG /                           +9.86900000E+001 +8.62000000E+010 +3.40000000E-001 +4.29100000E+004 /
C3H6CHO-1<=>SC3H5CHO+H                            +2.82000000E+042 -8.17000000E+000 +6.07200000E+004 !\Author: HL !\Ref:ANALOGY WITH CH3CHCHO<=>C2H3CHO+H, \Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +1.84000000E+057 -1.41200000E+001 +5.67800000E+004 /
PLOG /                           +9.86900000E-004 +4.76000000E+041 -9.85000000E+000 +4.73900000E+004 /
PLOG /                           +9.86900000E-003 +3.14000000E+055 -1.32400000E+001 +5.74600000E+004 /
PLOG /                           +9.86900000E-003 +3.72000000E+039 -8.95000000E+000 +4.73000000E+004 /
PLOG /                           +9.86900000E-002 +3.54000000E+055 -1.29300000E+001 +5.93400000E+004 /
PLOG /                           +9.86900000E-002 +1.45000000E+032 -6.32000000E+000 +4.60300000E+004 /
PLOG /                           +9.86900000E-001 +6.49000000E+051 -1.14700000E+001 +5.99600000E+004 /
PLOG /                           +9.86900000E-001 +3.03000000E+028 -5.01000000E+000 +4.54000000E+004 /
PLOG /                           +9.86900000E+000 +4.14000000E+047 -9.93000000E+000 +6.06400000E+004 /
PLOG /                           +9.86900000E+000 +5.82000000E+024 -3.71000000E+000 +4.47400000E+004 /
PLOG /                           +9.86900000E+001 +2.82000000E+042 -8.17000000E+000 +6.07200000E+004 /
PLOG /                           +9.86900000E+001 +4.19000000E+019 -1.96000000E+000 +4.36300000E+004 /
C3H6CHO-1+HO2=>C2H5CHO+CO+H2O                     +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: HL !\Ref:ANALOGY WITH CH3CHCHO+HO2=>CO+CH3CHO+H2O, \Ref: WARNING !\Comment: WARNING 
C3H6CHO-1+HO2=>C2H5CHO+HCO+OH                     +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: HL !\Ref:ANALOGY WITH CH3CHCHO+HO2=>HCO+CH3CHO+OH, \Ref: WARNING !\Comment: WARNING 
C4H71-1O2<=>C2H5COCHO+H                           +1.30000000E+032 -5.92000000E+000 +4.06600000E+004 !\Author: HL !\Ref:ANALOGY WITH SC3H5OO<=>CH3COCHO+H, \Ref: ANALOGY TO C2H3OO<=>CHOCHO+O !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.41000000E+080 -2.22000000E+001 +5.17500000E+004 /
PLOG /                           +1.00000000E-002 +1.19000000E+028 -6.01000000E+000 +2.87400000E+004 /
PLOG /                           +1.00000000E-001 +3.31000000E+065 -1.70100000E+001 +4.80900000E+004 /
PLOG /                           +1.00000000E-001 +1.40000000E+025 -4.80000000E+000 +2.89400000E+004 /
PLOG /                           +3.16000000E-001 +5.98000000E+051 -1.26200000E+001 +4.30000000E+004 /
PLOG /                           +3.16000000E-001 +2.91000000E+020 -3.29000000E+000 +2.75500000E+004 /
PLOG /                           +1.00000000E+000 +1.48000000E+044 -1.01200000E+001 +4.07900000E+004 /
PLOG /                           +1.00000000E+000 +1.58000000E+019 -2.82000000E+000 +2.76200000E+004 /
PLOG /                           +3.16000000E+000 +1.26000000E+059 -1.43300000E+001 +5.13900000E+004 /
PLOG /                           +3.16000000E+000 +1.93000000E+022 -3.54000000E+000 +2.99800000E+004 /
PLOG /                           +1.00000000E+001 +4.93000000E+026 -4.67000000E+000 +3.43200000E+004 /
PLOG /                           +1.00000000E+001 +7.51000000E+029 -5.75000000E+000 +3.44900000E+004 /
PLOG /                           +3.16000000E+001 +2.06000000E+033 -6.38000000E+000 +3.95200000E+004 /
PLOG /                           +3.16000000E+001 +7.14000000E+061 -1.61600000E+001 +4.32800000E+004 /
PLOG /                           +1.00000000E+002 +1.30000000E+032 -5.92000000E+000 +4.06600000E+004 /
PLOG /                           +1.00000000E+002 +1.14000000E+019 -2.56000000E+000 +2.96700000E+004 /
C4H71-1O2<=>CH2O+C2H5CO                           +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 !\Author: HL !\Ref:ANALOGY WITH SC3H5OO<=>CH2O+CH3CO, \Ref: ANALOGY TO C2H3OO<=>CH2O+HCO !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.66000000E+174 -5.55200000E+001 +6.03200000E+004 /
PLOG /                           +1.00000000E-002 +2.27000000E+035 -7.97000000E+000 +3.12800000E+004 /
PLOG /                           +1.00000000E-001 +9.03000000E+066 -1.72500000E+001 +4.81200000E+004 /
PLOG /                           +1.00000000E-001 +2.08000000E+026 -4.96000000E+000 +2.87800000E+004 /
PLOG /                           +3.16000000E-001 +1.82000000E+043 -9.87000000E+000 +3.79600000E+004 /
PLOG /                           +3.16000000E-001 +1.45000000E+020 -3.08000000E+000 +2.66300000E+004 /
PLOG /                           +1.00000000E+000 +8.64000000E+033 -6.88000000E+000 +3.43700000E+004 /
PLOG /                           +1.00000000E+000 +1.06000000E+130 -3.93800000E+001 +5.47000000E+004 /
PLOG /                           +3.16000000E+000 +7.29000000E+171 -4.35300000E+001 +1.91900000E+005 /
PLOG /                           +3.16000000E+000 +2.35000000E+034 -6.87000000E+000 +3.57000000E+004 /
PLOG /                           +1.00000000E+001 +1.03000000E+032 -6.06000000E+000 +3.55000000E+004 /
PLOG /                           +1.00000000E+001 +2.18000000E+175 -5.37800000E+001 +6.85000000E+004 /
PLOG /                           +3.16000000E+001 +1.85000000E+034 -6.57000000E+000 +3.85100000E+004 /
PLOG /                           +3.16000000E+001 +1.07000000E+185 -5.42200000E+001 +8.89900000E+004 /
PLOG /                           +1.00000000E+002 +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+002 +4.68000000E+002 +1.81000000E+000 +1.81000000E+004 /
C4H71-1O2<=>CH2O+C2H5+CO                          +1.33000000E+030 -5.19000000E+000 +3.68000000E+004 !\Author: HL !\Ref:ANALOGY WITH SC3H5OO=>CH2O+CH3+CO, \Ref: C2H3OO=>CH2O+H+CO GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.88000000E+174 -5.55200000E+001 +6.03200000E+004 /
PLOG /                           +1.00000000E-002 +5.29000000E+035 -7.97000000E+000 +3.12800000E+004 /
PLOG /                           +1.00000000E-001 +2.11000000E+067 -1.72500000E+001 +4.81200000E+004 /
PLOG /                           +1.00000000E-001 +4.85000000E+026 -4.96000000E+000 +2.87800000E+004 /
PLOG /                           +3.16000000E-001 +4.26000000E+043 -9.87000000E+000 +3.79600000E+004 /
PLOG /                           +3.16000000E-001 +3.37000000E+020 -3.08000000E+000 +2.66300000E+004 /
PLOG /                           +1.00000000E+000 +2.02000000E+034 -6.88000000E+000 +3.43700000E+004 /
PLOG /                           +1.00000000E+000 +2.46000000E+130 -3.93800000E+001 +5.47000000E+004 /
PLOG /                           +3.16000000E+000 +1.70000000E+172 -4.35300000E+001 +1.91900000E+005 /
PLOG /                           +3.16000000E+000 +5.49000000E+034 -6.87000000E+000 +3.57000000E+004 /
PLOG /                           +1.00000000E+001 +2.40000000E+032 -6.06000000E+000 +3.55000000E+004 /
PLOG /                           +1.00000000E+001 +5.09000000E+175 -5.37800000E+001 +6.85000000E+004 /
PLOG /                           +3.16000000E+001 +4.32000000E+034 -6.57000000E+000 +3.85100000E+004 /
PLOG /                           +3.16000000E+001 +2.49000000E+185 -5.42200000E+001 +8.89900000E+004 /
PLOG /                           +1.00000000E+002 +1.33000000E+030 -5.19000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+002 +1.09000000E+003 +1.81000000E+000 +1.81000000E+004 /
C2H5COCHO<=>C2H5CHO+CO                            +5.50000000E+056 -1.26000000E+001 +7.99640000E+004 !\Author: HL !\Ref:ANALOGY WITH CHOCHO<=>CH2O+CO, \Ref: G. FRIEDRICHS ET AL. PHYS. CHEM. CHEM. PHYS. 10(2008) 6520-6533 !\Comment: WARNING 
PLOG /                           +9.86900000E-003 +4.20000000E+053 -1.25000000E+001 +7.08450000E+004 /
PLOG /                           +4.93500000E-002 +5.10000000E+054 -1.26000000E+001 +7.30120000E+004 /
PLOG /                           +9.86900000E-002 +1.00000000E+055 -1.26000000E+001 +7.38770000E+004 /
PLOG /                           +4.93500000E-001 +4.50000000E+055 -1.26000000E+001 +7.58690000E+004 /
PLOG /                           +9.86900000E-001 +8.00000000E+055 -1.26000000E+001 +7.67130000E+004 /
PLOG /                           +4.93500000E+000 +1.10000000E+056 -1.22000000E+001 +7.76430000E+004 /
PLOG /                           +9.86900000E+000 +5.50000000E+056 -1.26000000E+001 +7.99640000E+004 /
C2H5COCHO<=>C2H5CO+HCO                            +3.00000000E+060 -1.33000000E+001 +8.89930000E+004 !\Author: HL !\Ref:ANALOGY WITH CHOCHO<=>HCO+HCO, \Ref: G. FRIEDRICHS ET AL. PHYS. CHEM. CHEM. PHYS. 10(2008) 6520-6533 !\Comment: WARNING 
PLOG /                           +9.86900000E-003 +1.00000000E+042 -9.70000000E+000 +7.35340000E+004 /
PLOG /                           +4.93500000E-002 +6.00000000E+048 -1.11000000E+001 +7.74620000E+004 /
PLOG /                           +9.86900000E-002 +1.70000000E+051 -1.16000000E+001 +7.91110000E+004 /
PLOG /                           +4.93500000E-001 +5.30000000E+055 -1.25000000E+001 +8.27740000E+004 /
PLOG /                           +9.86900000E-001 +1.90000000E+057 -1.28000000E+001 +8.43210000E+004 /
PLOG /                           +4.93500000E+000 +2.20000000E+059 -1.31000000E+001 +8.72580000E+004 /
PLOG /                           +9.86900000E+000 +3.00000000E+060 -1.33000000E+001 +8.89930000E+004 /
C2H5COCHO+OH=>C2H5CO+CO+H2O                       +6.13299000E+004 +2.65000000E+000 -4.58640000E+003 !\Author: HL !\Ref:ANALOGY WITH CHOCHO+OH=>HCO+CO+H2O, \Ref: J. MENDES, C-W ZHOU, AND H. J. CURRAN. JPCA, 2014, 118, 12089-12104. !\Comment: WARNING 
C2H5COCHO+O=>C2H5CO+CO+OH                         +5.94000000E+012 +0.00000000E+000 +1.86800000E+003 !\Author: HL !\Ref:ANALOGY WITH CHOCHO+O=>HCO+CO+OH, \Ref: ANALOGY TO CH3CHO+O<=>CH3CO+OH !\Comment: WARNING 
C2H5COCHO+HO2=>C2H5CO+CO+H2O2                     +1.70000000E+013 +0.00000000E+000 +1.62900000E+004 !\Author: HL !\Ref:ANALOGY WITH CHOCHO+HO2=>HCO+CO+H2O2, \Ref !\Ref: WARNING !\Comment: WARNING 
C2H5COCHO+O2=>C2H5CO+CO+HO2                       +3.01000000E+013 +0.00000000E+000 +3.91500000E+004 !\Author: HL !\Ref:ANALOGY WITH CHOCHO+O2=>HCO+CO+HO2, \Ref: ANALOGY TO CH3CHO+O2<=>CH3CO+HO2 !\Comment: WARNING 
C2H5COCHO+H<=>C2H5CHO+HCO                           +5.40000000E+013 +0.00000000E+000 +4.30000000E+003 !\Author: HL !\Ref:ANALOGY WITH CHOCHO+H<=>CH2O+HCO, \Ref: M. COLBERG, G. FRIEDRICHS, J. PHYS. CHEM. A, 110(2006) 160-170 !\Comment: WARNING 
C2H5COCH+O2=C2H5COCHO+O                           +1.30000000E+006 +2.42020000E+000 +1.60400000E+003 !\Author: HL !\Ref:ANALOGY WITH CH3COCH+O2=CH3COCHO+O, \Ref: ANALOGY TO CHCHO+O2<=>CHOCHO+O !\Comment: WARNING 
C2H5COCH+O2=>CO2+H+C2H5CO                         +2.10000000E+009 +9.92900000E-001 -2.69000000E+002 !\Author: HL !\Ref:ANALOGY WITH CH3COCH+O2=>CO2+H+CH3CO, \Ref: ANALOGY TO CHCHO+O2<=>CO2+H+HCO GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
C2H5COCH+OH=>CH3CHCCO+H2O+H                        +1.58000000E+007 +1.80000000E+000 +9.34000000E+002 !\Author: HL !\Ref:ANALOGY WITH CH3COCH+OH=>CH2CCO+H2O+H, \Ref: ANOLOGY TO PROPANE !\Comment: WARNING 
C2H5COCH+HO2=>CH3CHCCO+H2O2+H                      +4.82000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: HL !\Ref:ANALOGY WITH CH3COCH+HO2=>CH2CCO+H2O2+H, \Ref: CURRAN ESTIMATE TSANG '88 PRIMARY H !\Comment: WARNING 
C2H4COCH2<=>C2H2+CH3CHO                           +6.00000000E+014 +0.00000000E+000 +6.00000000E+004 !\Author: HL !\Ref:ANALOGY WITH CH2COCH2<=>C2H2+CH2O, \Ref: WARNING !\Comment: WARNING 
C2H4COCH2+OH=>CH3CHO+C2H+H2O                      +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: HL !\Ref:ANALOGY WITH CH2COCH2+OH=>CH2O+C2H+H2O, \Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
C2H4COCH2+H=>CH3CHO+C2H+H2                        +2.63000000E+007 +2.00000000E+000 +5.00000000E+003 !\Author: HL !\Ref:ANALOGY WITH CH2COCH2+H=>CH2O+C2H+H2, \Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
C2H4COCH2+O=>CH3CHO+C2H+OH                        +8.43000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: HL !\Ref:ANALOGY WITH CH2COCH2+O=>CH2O+C2H+OH, \Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
C2H4COCH2+HO2=>CH3CHO+C2H+H2O2                    +1.00000000E+013 +0.00000000E+000 +1.50000000E+004 !\Author: HL !\Ref:ANALOGY WITH CH2COCH2+HO2=>CH2O+C2H+H2O2, \Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
C2H+CH3CO<=>C2HCOCH3                               +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: HL !\Ref:ANALOGY WITH C2H+HCO<=>C2HCHO, \Ref: WARNING !\Comment: WARNING 
C2HCOCH3+OH<=>CH2CO+CH3CO                         +1.00000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: HL !\Ref:ANALOGY WITH C2H3COCH3+OH<=>CH3CHO+CH3CO, \Ref: CURRAN ESTIMATE !\Comment: WARNING 
C2HCOCH3+OH=>CH2CO+C2H+H2O                        +5.10000000E+011 +0.00000000E+000 +1.19200000E+003 !\Author: HL !\Ref:ANALOGY WITH C2H3COCH3+OH=>CH2CO+C2H3+H2O, \Ref: CURRAN ESTIMATE !\Comment: WARNING 
C2HCOCH3+HO2=>HCCO+CH3CO+OH                       +6.03000000E+009 +0.00000000E+000 +7.94900000E+003 !\Author: HL !\Ref:ANALOGY WITH C2H3COCH3+HO2=>CH2CHO+CH3CO+OH, \Ref: CURRAN ESTIMATE !\Comment: WARNING 
C2HCOCH3+HO2=>CH2CO+C2H+H2O2                      +8.50000000E+012 +0.00000000E+000 +2.04600000E+004 !\Author: HL !\Ref:ANALOGY WITH C2H3COCH3+HO2=>CH2CO+C2H3+H2O2, \Ref: CURRAN ESTIMATE !\Comment: WARNING 
C2HCOCH3+CH3O2=>HCCO+CH3CO+CH3O                   +3.97000000E+011 +0.00000000E+000 +1.70500000E+004 !\Author: HL !\Ref:ANALOGY WITH C2H3COCH3+CH3O2=>CH2CHO+CH3CO+CH3O, \Ref: CURRAN ESTIMATE !\Comment: WARNING 
C2HCOCH3+CH3O2=>CH2CO+C2H+CH3O2H                  +3.01000000E+012 +0.00000000E+000 +1.75800000E+004 !\Author: HL !\Ref:ANALOGY WITH C2H3COCH3+CH3O2=>CH2CO+C2H3+CH3O2H, \Ref: CURRAN ESTIMATE !\Comment: WARNING 
C4H612OOH<=>C4H4O+H2O                             +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 !\Author: HL !\Ref:ANALOGY WITH C3H3O2H<=>C2HCHO+H2O, \Ref: ANALOGY WITH C3H5-A+HO2 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.99000000E+050 -1.27000000E+001 +5.35319000E+004 /
PLOG /                           +1.00000000E-001 +4.72000000E+047 -1.15000000E+001 +5.43609000E+004 /
PLOG /                           +1.00000000E+000 +1.50000000E+040 -8.84000000E+000 +5.31792000E+004 /
PLOG /                           +1.00000000E+001 +2.54000000E+028 -5.00000000E+000 +4.99194000E+004 /
PLOG /                           +1.00000000E+002 +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 /
C4H5O1-4<=>CH2O+C3H3                              +1.03000000E+023 -3.11000000E+000 +1.76910000E+004 !\Author: HL !\Ref:ANALOGY WITH C4H7O1-4<=>CH2O+C3H5-A, P. ZHANG ET AL., JPCA, 2013, 117, 1890-1906. !ANALOGY TO BUTANOL !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.30000000E-001 +5.09000000E+023 -3.85000000E+000 +1.57210000E+004 /
PLOG /                           +1.00000000E+000 +6.73000000E+034 -7.46000000E+000 +1.93320000E+004 /
PLOG /                           +1.00000000E+001 +1.48000000E+030 -5.62000000E+000 +1.90260000E+004 /
PLOG /                           +1.00000000E+002 +1.03000000E+023 -3.11000000E+000 +1.76910000E+004 /
C4H5-4O2<=>C4H4+HO2                               +7.08000000E+005 +2.05000000E+000 +2.46400000E+004 !\Author: HL !\Ref:ANALOGY WITH C4H71-4O2<=>C4H6+HO2, \Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
C4H5-4O2+HO2<=>C4H5-4O2H+O2                       +1.75000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: HL !\Ref:ANALOGY WITH C4H71-4O2+HO2<=>C4H71-4OOH+O2, \Ref: WARNING !\Comment: WARNING 
C4H5-4O2H<=>C4H5O1-4+OH                           +1.50000000E+016 +0.00000000E+000 +4.25000000E+004 !\Author: HL !\Ref:ANALOGY WITH C4H71-4OOH<=>C4H7O1-4+OH, \Ref: WARNING !\Comment: WARNING 
!
!
!___________________________________________________________________________________________________________ 
!OTHER PATH HL:
!DONG 220419!C4H63,1-2OH+HO2=CH2COHCHOCH3+OH                      +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: HL, ANALOGY WITH SC3H4OH+HO2=CH2COHCH2O+OH, \Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
!DONG 220419!PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
!DONG 220419!PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
!DONG 220419!PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
!DONG 220419!PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
!DONG 220419!PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
!DONG 220419!C4H63,1-2OH+HO2=C4H6OHOOH1-2-3                      +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: HL, ANALOGY WITH SC3H4OH+HO2=CH2COHCH2OOH, \Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
!DONG 220419!PLOG /                           +1.00000000E-002 +1.91000000E+031 -7.23000000E+000 +1.33620000E+003 /
!DONG 220419!PLOG /                           +1.00000000E-001 +6.31000000E+042 -1.03000000E+001 +5.56890000E+003 /
!DONG 220419!PLOG /                           +1.00000000E+000 +1.03000000E+045 -1.06000000E+001 +7.85150000E+003 /
!DONG 220419!PLOG /                           +1.00000000E+001 +2.79000000E+037 -7.92000000E+000 +6.49790000E+003 /
!DONG 220419!PLOG /                           +1.00000000E+002 +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 /
!DONG 220419!C4H63,1-2OH+HO2=CH3COCOHCH2+H2O                      +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 !\Author: HL, ANALOGY WITH SC3H4OH+HO2=CH2COHCHO+H2O, \Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
!DONG 220419!PLOG /                           +1.00000000E-002 +1.09000000E+000 +3.01000000E+000 -3.42110000E+003 /
!DONG 220419!PLOG /                           +1.00000000E-001 +6.35000000E+001 +2.50000000E+000 -2.34140000E+003 /
!DONG 220419!PLOG /                           +1.00000000E+000 +6.05000000E+005 +1.39000000E+000 +5.95100000E+002 /
!DONG 220419!PLOG /                           +1.00000000E+001 +3.10000000E+005 +1.59000000E+000 +2.67760000E+003 /
!DONG 220419!PLOG /                           +1.00000000E+002 +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 /
!DONG 220419!C4H63,1-2OH<=>CH2CO+C2H5                            +1.05000000E+030 -4.78000000E+000 +6.48100000E+004 !\Author: HL, ANALOGY WITH SC3H4OH<=>CH2CO+CH3, \Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
!DONG 220419!PLOG /                           +9.86900000E-004 +1.59000000E+045 -1.03100000E+001 +5.80400000E+004 /
!DONG 220419!PLOG /                           +9.86900000E-004 +4.37000000E+015 -2.01000000E+000 +4.16000000E+004 /
!DONG 220419!PLOG /                           +9.86900000E-003 +4.18000000E+040 -8.69000000E+000 +5.80500000E+004 /
!DONG 220419!PLOG /                           +9.86900000E-003 +4.22000000E+016 -2.03000000E+000 +4.36700000E+004 /
!DONG 220419!PLOG /                           +9.86900000E-002 +8.86000000E+032 -6.22000000E+000 +5.60400000E+004 /
!DONG 220419!PLOG /                           +9.86900000E-002 +1.02000000E+017 -1.97000000E+000 +4.54200000E+004 /
!DONG 220419!PLOG /                           +1.31300000E-001 +3.91000000E+031 -5.80000000E+000 +5.55500000E+004 /
!DONG 220419!PLOG /                           +1.31300000E-001 +4.20000000E+016 -1.84000000E+000 +4.54600000E+004 /
!DONG 220419!PLOG /                           +9.86900000E-001 +2.66000000E+031 -5.60000000E+000 +5.73200000E+004 /
!DONG 220419!PLOG /                           +9.86900000E-001 +2.97000000E+015 -1.48000000E+000 +4.62500000E+004 /
!DONG 220419!PLOG /                           +9.86900000E+000 +4.36000000E+031 -5.46000000E+000 +6.08700000E+004 /
!DONG 220419!PLOG /                           +9.86900000E+000 +2.66000000E+010 +9.00000000E-002 +4.60200000E+004 /
!DONG 220419!PLOG /                           +9.86900000E+001 +1.05000000E+030 -4.78000000E+000 +6.48100000E+004 /
!DONG 220419!PLOG /                           +9.86900000E+001 +1.65000000E+004 +2.01000000E+000 +4.54300000E+004 /
!DONG 220419!CH2COHCHOCH3<=>CH2COHCHO+CH3                      +4.38000000E+016 -8.90000000E-001 +1.65300000E+004 !\Author: HL, ANALOGY WITH C5H9OH2-1,3O<=>CH2COHCHO+C2H5, \Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 
!DONG 220419!CH2COHCHOCH3<=>CH3CO+C2H3OH                       +4.75000000E+008 +1.14000000E+000 +2.09225000E+004 !\Author: HL, ANALOGY WITH CH2COHCH2O=HCO+C2H3OH, \Ref: WARNING !\Comment: WARNING 
!DONG 220419!CH2COHCHOCH3<=>CH3CHO+SC2H2OH                     +8.52000000E+025 -3.61000000E+000 +2.78634000E+004 !\Author: HL, ANALOGY WITH CH2COHCH2O=CH2O+SC2H2OH, \Ref: WARNING !\Comment: WARNING 
C4H63,1-1OH+HO2<=>C4H6OHOOH1-1-3                  +1.02000000E+012 +6.00000000E-001 -2.10600000E+003 !\Author: WARNING !HL, ANALOGY WITH C4H64,2-1OH+HO2<=>C4H6OHOOH1-4-3, \Ref: WARNING !\Comment: WARNING 
!C4H63,1-1OH<=>C3H6CHO-1                          +8.62000000E+014 -1.77000000E+000 +1.25000000E+004 !\Author: HL, ANALOGY WITH C4H64,2-1OH<=>C4H7O2-1, P. ZHANG ET AL., JPCA, 2013, 117, 1890-1906. !ANALOGY TO BUTANOL !COMMENTS EA+1 KCAL/MOL !\Ref: WARNING !\Comment: WARNING 
!PLOG /                           +1.30000000E-001 +6.32000000E+011 -1.20000000E+000 +1.07820000E+004 /
!PLOG /                           +1.00000000E+000 +1.99000000E+008 +1.20000000E-001 +1.04170000E+004 /
!PLOG /                           +1.00000000E+001 +1.87000000E+008 +2.10000000E-001 +1.06600000E+004 /
!PLOG /                           +1.00000000E+002 +8.62000000E+014 -1.77000000E+000 +1.25000000E+004 /
C4H63,1-1OH<=>C4H7O2-1                            +1.29000000E+015 -1.99000000E+000 +2.77000000E+004 !\Author: HL, ANALOGY WITH C4H64,2-1OH<=>C4H7O1-4, P. ZHANG ET AL., JPCA, 2013, 117, 1890-1906. !ANALOGY TO BUTANOL !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.30000000E-001 +1.27000000E-041 +1.43600000E+001 +5.31800000E+003 /
PLOG /                           +1.00000000E+000 +1.59000000E-018 +7.29000000E+000 +1.27050000E+004 /
PLOG /                           +1.00000000E+002 +1.29000000E+015 -1.99000000E+000 +2.77000000E+004 /
C4H6OHOOH1-1-3=>CH3CHO+C2H2OH+OH                  +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: HL, ANALOGY WITH C4H6OHOOH1-4-3=>C2H3CHO+CH2OH+OH, \Ref: MIYOSHI A / 2 COMPARED TO R+O2 !\Comment: WARNING 
C4H6OHOOH1-1-3<=>CH3CHOCHCHOH+OH                  +3.10000000E+016 -1.50000000E+000 +4.28794600E+004 !\Author: HL, ANALOGY WITH C4H6OHOOH1-4-3<=>C3H4CH2OH-3O+OH, \Ref: WARNING !\Comment: WARNING 
CH3CHOCHCHOH=>C2H2OH+CH3CHO                      +2.70000000E+014 +0.00000000E+000 +2.39036100E+004 !\Author: HL, ANALOGY WITH C3H4CH2OH-3O<=>CH2OH+C2H3CHO, \Ref: WARNING !\Comment: WARNING 
CH3CHOCHCHOH<=>CH3COCHCHOH+H                      +3.50000000E+011 +1.00000000E+000 +1.85585800E+004 !\Author: HL, ANALOGY WITH C3H4CH2OH-3O<=>C2H3COCH2OH+H, \Ref: WARNING !\Comment: WARNING 
CH3COCHCHOH=>C2H2OH+CH3CO                        +2.70000000E+014 +0.00000000E+000 +2.39036100E+004 !\Author: HL, ANALOGY WITH C3H4CH2OH-3O<=>CH2OH+C2H3CHO, \Ref: WARNING !\Comment: WARNING 
C4H63,1-3OH+HO2<=>C4H6OHOOH2-2-4                  +1.02000000E+012 +6.00000000E-001 -2.10600000E+003 !\Author: HL, ANALOGY WITH C4H64,2-1OH+HO2<=>C3H4CH2OH-1OOH, \Ref: WARNING !\Comment: WARNING 
!C4H63,1-3OH<=>CH3CHCOCH3                          +8.62000000E+014 -1.77000000E+000 +1.25000000E+004 !\Author: HL, ANALOGY WITH C4H64,2-1OH<=>C4H7O2-1, P. ZHANG ET AL., JPCA, 2013, 117, 1890-1906. !ANALOGY TO BUTANOL !COMMENTS EA+1 KCAL/MOL !\Ref: WARNING !\Comment: WARNING 
!PLOG /                           +1.30000000E-001 +6.32000000E+011 -1.20000000E+000 +1.07820000E+004 /
!PLOG /                           +1.00000000E+000 +1.99000000E+008 +1.20000000E-001 +1.04170000E+004 /
!PLOG /                           +1.00000000E+001 +1.87000000E+008 +2.10000000E-001 +1.06600000E+004 /
!PLOG /                           +1.00000000E+002 +8.62000000E+014 -1.77000000E+000 +1.25000000E+004 /
C4H63,1-3OH<=>C4H71-O                             +1.29000000E+015 -1.99000000E+000 +2.77000000E+004 !\Author: HL, ANALOGY WITH C4H64,2-1OH<=>C4H7O1-4, P. ZHANG ET AL., JPCA, 2013, 117, 1890-1906. !ANALOGY TO BUTANOL !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.30000000E-001 +1.27000000E-041 +1.43600000E+001 +5.31800000E+003 /
PLOG /                           +1.00000000E+000 +1.59000000E-018 +7.29000000E+000 +1.27050000E+004 /
PLOG /                           +1.00000000E+002 +1.29000000E+015 -1.99000000E+000 +2.77000000E+004 /
C4H6OHOOH2-2-4<=>CH3COHCHCH2O+OH                  +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: HL, ANALOGY WITH C4H72-1OOH<=>C4H7O2-1+OH, \Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C4H6OHOOH2-2-4 <=>CH2COHCHCHO+H2O                 +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 !\Author: HL, ANALOGY WITH C4H72-1OOH<=>SC3H5CHO+H2O, \Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.99000000E+050 -1.27000000E+001 +5.35319000E+004 /
PLOG /                           +1.00000000E-001 +4.72000000E+047 -1.15000000E+001 +5.43609000E+004 /
PLOG /                           +1.00000000E+000 +1.50000000E+040 -8.84000000E+000 +5.31792000E+004 /
PLOG /                           +1.00000000E+001 +2.54000000E+028 -5.00000000E+000 +4.99194000E+004 /
PLOG /                           +1.00000000E+002 +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 /
CH3COHCHCH2O<=>HCO+IC3H5OH                        +4.75000000E+008 +1.14000000E+000 +2.09225000E+004 !\Author: HL, ANALOGY WITH C4H7O2-1<=>C3H6+HCO, \Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325? 3346 !\Comment: WARNING 
CH3COHCHCH2O<=>CH2COHCHCHO+H                      +2.57000000E+020 -2.06000000E+000 +2.20401000E+004 !\Author: HL, ANALOGY WITH C4H7O2-1<=>SC3H5CHO+H, \Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325? 3346 !\Comment: WARNING 
CH3COHCHCH2O<=>CH2O+CH3C(OH)CH                    +8.81000000E+014 -3.26000000E-001 +3.15531000E+004 !\Author: HL, ANALOGY WITH SC3H5OCH2-1<=>C3H5-S+CH2O, \Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325? 3346 !\Comment: WARNING 
CH2COHCHCHO<=>IC3H5OH+CO                          +3.90000000E+014 +0.00000000E+000 +6.90000000E+004 !\Author: HL, ANALOGY WITH SC3H5CHO<=>C3H6+CO, \Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
CH2COHCHCHO+H<=>IC3H5OH+HCO                       +4.00000000E+021 -2.39000000E+000 +1.11800000E+004 !\Author: HL, ANALOGY WITH SC3H5CHO+H<=>C3H6+HCO, \Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C4H6-1
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C4H8-2
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C3H5-S+CH3(+M)<=>C4H8-2(+M)                       +5.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
LOW /                                             +8.54000000E+058 -1.19400000E+001 +9.76980000E+003 /
TROE /                           +1.75000000E-001 +1.34060000E+003 +6.00000000E+004 +1.01398000E+004 /
AR / +0.7000 / CO / +1.5000 / CO2 / +2.0000 / H2 / +2.0000 / CH4 / +2.0000 / C2H4 / +3.0000 / C2H6 / +3.0000 / C2H2 / +3.0000 / H2O / +6.0000 / 
C4H8-2<=>C3H5-A+CH3                               +7.50000000E+065 -1.56000000E+001 +9.73000000E+004 !\Author: WARNING !\Ref: ASSUME BY THIS WORK !\Comment: WARNING 
C4H8-2=C4H71-3+H                                  +1.61000000E+057 -1.15200000E+001 +1.21820000E+005 !\Author: SN !WAGNON1@LLNL.GOV !A*2(DEG) AS C3H6=C3H5-A+H YE PROCI 35(2015) 223-230 !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.83000000E+075 -1.76100000E+001 +1.20370000E+005 /
PLOG /                           +1.00000000E-002 +5.96000000E+054 -1.23200000E+001 +1.01200000E+005 /
PLOG /                           +1.00000000E-001 +3.46000000E+070 -1.60100000E+001 +1.19510000E+005 /
PLOG /                           +1.00000000E-001 +2.76000000E+043 -8.87000000E+000 +9.63650000E+004 /
PLOG /                           +1.00000000E+000 +2.16000000E+071 -1.59100000E+001 +1.24860000E+005 /
PLOG /                           +1.00000000E+000 +1.26000000E+043 -8.51000000E+000 +9.80040000E+004 /
PLOG /                           +1.00000000E+001 +1.28000000E+066 -1.42190000E+001 +1.24980000E+005 /
PLOG /                           +1.00000000E+001 +9.46000000E+035 -6.26000000E+000 +9.56440000E+004 /
PLOG /                           +1.00000000E+002 +1.61000000E+057 -1.15200000E+001 +1.21820000E+005 /
PLOG /                           +1.00000000E+002 +8.70000000E+028 -4.06000000E+000 +9.31140000E+004 /
C4H72-2+H=C4H8-2                                  +1.15000000E+050 -1.03700000E+001 +2.32930000E+004 !\Author: SN !WAGNON1@LLNL.GOV !AS C3H5-T+H=C3H6 YE PROCI 35(2015) 223-230 !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.96000000E+060 -1.51600000E+001 +1.79580000E+004 /
PLOG /                           +1.00000000E-002 +1.49000000E+048 -1.19900000E+001 +7.20300000E+003 /
PLOG /                           +1.00000000E-001 +3.20000000E+062 -1.51300000E+001 +2.01230000E+004 /
PLOG /                           +1.00000000E-001 +6.76000000E+046 -1.10900000E+001 +7.63000000E+003 /
PLOG /                           +1.00000000E+000 +2.31000000E+060 -1.40300000E+001 +2.18600000E+004 /
PLOG /                           +1.00000000E+000 +1.09000000E+040 -8.66000000E+000 +6.44800000E+003 /
PLOG /                           +1.00000000E+001 +3.69000000E+054 -1.19700000E+001 +2.21070000E+004 /
PLOG /                           +1.00000000E+001 +2.38000000E+031 -5.73000000E+000 +4.50600000E+003 /
PLOG /                           +1.00000000E+002 +1.15000000E+050 -1.03700000E+001 +2.32930000E+004 /
PLOG /                           +1.00000000E+002 +5.69000000E+025 -3.83000000E+000 +3.25000000E+003 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C4H8-2+OH<=>C4H71-3+H2O                           +4.46000000E+006 +2.07200000E+000 +1.05080000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C3H6+OH<=>C3H5-A+H2O *2 / 2 !\Comment: WARNING 
C4H8-2+OH<=>C4H72-2+H2O                           +6.00000000E+006 +1.97000000E+000 +2.84590000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C4H8-1 *2 !\Comment: WARNING 
C4H8-2+HO2<=>C4H71-3+H2O2                         +6.90000000E-001 +4.00000000E+000 +1.21030000E+004 !\Author: WARNING !\Ref: JUDIT ZADOR,STEPHEN J. KLIPPENSTEIN,AND JAMES A. MILLER J. PHYS. CHEM. A 2011, 115, 10218 C10225 !\Comment: *2 
C4H8-2+HO2<=>C4H72-2+H2O2                         +3.12000000E+004 +2.82000000E+000 +2.44279000E+004 !\Author: WARNING !\Ref: ANALOGY WITH C3H6+HO2 *2 !\Comment: WARNING 
C4H8-2+H<=>C4H71-3+H2                              2.60E+04           2.95E+00         3.67E+03!\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT 
C4H8-2+H<=>C4H72-2+H2                              1.21E+06           2.40E+00         1.03E+04 !\Author: JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
C4H8-2+O<=>C4H71-3+OH                             +1.93600000E-002 +4.54000000E+000 -2.46980000E+003 !\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C4H8-2+O<=>C4H72-2+OH                             +1.20600000E+011 +7.00000000E-001 +7.63200000E+003 !\Author: SD !\Ref: ANALOGY WITH C2H4+O !\Comment: WARNING 
C4H8-2+O2<=>C4H71-3+HO2                           +7.74000000E+001 +3.52000000E+000 +3.62000000E+004 !\Author: CWZ !\Ref: DIRECT CALCULATION BY STATED AUTHOR !\Comment: WARNING 
C4H8-2+O2<=>C4H72-2+HO2                           +2.00000000E+013 +0.00000000E+000 +5.87700000E+004 !\Author: WARNING !\Ref: ANALOGY WITH C3H6+O2 !*2 !\Comment: WARNING 
C4H8-2+CH3<=>C4H71-3+CH4                          +1.11000000E+002 +3.27000000E+000 +7.15000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H8-2+CH3<=>C4H72-2+CH4                          +1.63000000E+006 +1.87000000E+000 +1.37900000E+004 !\Author: SD !\Ref: WANG, KUN, ET AL. "FUNDAMENTALLY-BASED KINETIC MODEL FOR PROPENE PYROLYSIS." COMBUSTION AND FLAME 162.12(2015) !\Comment: WARNING 
C4H8-2+CH3O<=>C4H71-3+CH3OH                       +1.80000000E+001 +2.95000000E+000 +1.19900000E+004 !\Author: WARNING !\Ref: IN ARAMCO(ESTIMATE) !\Comment: WARNING 
C4H8-2+NC3H7O2<=>C4H71-3+NC3H7O2H                 +3.20000000E+012 +0.00000000E+000 +1.49000000E+004 !\Author: WARNING !\Ref: IN ARAMCO( !TWICE RATE OF C3H6+HO2) !\Comment: WARNING 
C4H8-2+IC3H7O2<=>C4H71-3+IC3H7O2H                 +3.20000000E+012 +0.00000000E+000 +1.49000000E+004 !\Author: WARNING !\Ref: IN ARAMCO( !TWICE RATE OF C3H6+HO2) !\Comment: WARNING 
C4H8-2+PC4H9O2<=>C4H71-3+PC4H9O2H                 +3.20000000E+012 +0.00000000E+000 +1.49000000E+004 !\Author: WARNING !\Ref: IN ARAMCO( !TWICE RATE OF C3H6+HO2) !\Comment: WARNING 
C4H8-2+SC4H9O2<=>C4H71-3+SC4H9O2H                 +3.20000000E+012 +0.00000000E+000 +1.49000000E+004 !\Author: WARNING !\Ref: IN ARAMCO( !TWICE RATE OF C3H6+HO2) !\Comment: WARNING 
IC4H9O2+C4H8-2<=>IC4H9O2H+C4H71-3                 +1.40000000E+012 +0.00000000E+000 +1.49000000E+004 !\Author: WARNING !\Ref: IN ARAMCO(WESTBROOK ESTIMATE) !\Comment: WARNING 
TC4H9O2+C4H8-2<=>TC4H9O2H+C4H71-3                 +1.40000000E+012 +0.00000000E+000 +1.49000000E+004 !\Author: WARNING !\Ref: IN ARAMCO(WESTBROOK ESTIMATE) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!___________________________________________________________________________________________________________ 
!
!===========================================================================================================
!\SUBSPECIES: C4H72-2
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 

C4H72-2=C4H71-2                                   7.46E+16       -2.39    53370.0
  PLOG/1.000E-02    4.56E+93      -27.66    68600.0/
  !PLOG/1.000E-02    0.00E+00        0.00    0.0/                                ! fit btw. 298 and 1100 K with MAE of 2353.7%, 11182.1%
  PLOG/1.000E-01    6.30E+49      -14.14    55020.0/
  PLOG/1.000E-01    3.25E+42      -14.80    42740.0/                            ! fit btw. 298 and 1200 K with MAE of 24.8%, 74.6%
  PLOG/1.000E+00    1.27E+35       -8.80    59000.0/
  PLOG/1.000E+00    5.67E+38      -10.19    53900.0/                            ! fit btw. 298 and 1300 K with MAE of 37.4%, 193.2%
  PLOG/1.000E+01    1.12E+80      -21.70    78790.0/
  PLOG/1.000E+01    2.53E+23       -5.01    51850.0/                            ! fit btw. 298 and 1400 K with MAE of 6.1%, 13.0%
  PLOG/1.000E+02    1.73E+55      -13.60    73580.0/
  PLOG/1.000E+02    1.78E+14       -2.13    50410.0/                            ! fit btw. 298 and 1600 K with MAE of 11.5%, 52.8%

C4H72-2=C4H71-1                                   6.62E+13       -1.63    51300.0
  PLOG/1.000E-02    5.52E+30       -8.79    46110.0/
  !PLOG/1.000E-02    0.00E+00        0.00    0.0/                                ! fit btw. 298 and 1100 K with MAE of 34.1%, 57.0%
  PLOG/1.000E-01    1.73E+53      -15.30    55910.0/
  PLOG/1.000E-01    3.86E+46      -16.28    43060.0/                            ! fit btw. 298 and 1200 K with MAE of 109.2%, 602.5%
  PLOG/1.000E+00    7.55E+47      -12.97    57420.0/
  PLOG/1.000E+00    4.02E+40      -14.25    42670.0/                            ! fit btw. 298 and 1300 K with MAE of 24.5%, 75.5%
  PLOG/1.000E+01    1.40E+25       -5.51    52450.0/
  PLOG/1.000E+01    5.21E+17       -6.27    39970.0/                            ! fit btw. 298 and 1400 K with MAE of 64.3%, 443.1%
  PLOG/1.000E+02    1.50E+23       -4.36    56150.0/
  PLOG/1.000E+02    2.20E+11       -4.93    36570.0/                            ! fit btw. 298 and 1600 K with MAE of 27.0%, 85.9%

C4H72-2=C4H61-3+H                                   3.58E+05        1.99    43830.0
  PLOG/1.000E-02    6.33E+68      -18.90    57110.0/
  PLOG/1.000E-02    1.18E+33       -8.07    42060.0/                            ! fit btw. 298 and 1200 K with MAE of 0.7%, 1.4%
  PLOG/1.000E-01    3.54E+62      -16.35    58140.0/
  PLOG/1.000E-01    2.25E+29       -6.51    43390.0/                            ! fit btw. 298 and 1200 K with MAE of 0.9%, 1.7%
  PLOG/1.000E+00    7.02E+56      -14.03    59840.0/
  PLOG/1.000E+00    1.28E+23       -4.29    43630.0/                            ! fit btw. 298 and 1300 K with MAE of 1.4%, 3.4%
  PLOG/1.000E+01    7.24E+49      -11.43    61450.0/
  PLOG/1.000E+01    1.58E+16       -2.05    43090.0/                            ! fit btw. 298 and 1400 K with MAE of 2.5%, 7.0%
  PLOG/1.000E+02    1.77E+41       -8.45    62520.0/
  PLOG/1.000E+02    1.08E+03        2.17    40760.0/                            ! fit btw. 298 and 1600 K with MAE of 6.1%, 14.0%

C4H72-2=C2H4+C2H3                                   1.51E+05        1.97    51050.0
  PLOG/1.000E-02    2.50E+77      -21.99    62950.0/
  PLOG/1.000E-02    5.63E+38      -10.15    46720.0/                            ! fit btw. 298 and 1200 K with MAE of 0.8%, 1.4%
  PLOG/1.000E-01    6.65E+67      -18.31    63220.0/
  PLOG/1.000E-01    5.12E+36       -8.99    49370.0/                            ! fit btw. 298 and 1200 K with MAE of 0.7%, 1.5%
  PLOG/1.000E+00    3.74E+60      -15.42    65360.0/
  PLOG/1.000E+00    1.52E+30       -6.59    50730.0/                            ! fit btw. 298 and 1300 K with MAE of 1.1%, 2.3%
  PLOG/1.000E+01    4.86E+52      -12.46    68140.0/
  PLOG/1.000E+01    1.61E+21       -3.72    50750.0/                            ! fit btw. 298 and 1400 K with MAE of 2.3%, 6.0%
  PLOG/1.000E+02    3.20E+08        1.04    53340.0/
  PLOG/1.000E+02    7.24E+01       -0.70    37290.0/                            ! fit btw. 298 and 1600 K with MAE of 37.8%, 138.5%

C4H72-2=C3H4-A+CH3                                   1.94E+10       -0.05    56570.0 !HL NEEDS \RefIT
!  PLOG/1.000E-02    -4.23E+41      -12.11    48750.0/
!  PLOG/1.000E-02    4.37E+31       -8.71    46570.0/                            ! fit btw. 298 and 1200 K with MAE of 68.3%, 365.6%
  PLOG/1.000E-01    5.88E+82      -23.75    72380.0/
  PLOG/1.000E-01    7.21E+35       -9.48    52430.0/                            ! fit btw. 298 and 1200 K with MAE of 0.8%, 2.5%
  PLOG/1.000E+00    1.92E+61      -16.37    68720.0/
  PLOG/1.000E+00    1.20E+31       -7.52    54390.0/                            ! fit btw. 298 and 1300 K with MAE of 1.1%, 2.5%
  PLOG/1.000E+01    5.02E+53      -13.38    71520.0/
  PLOG/1.000E+01    6.52E+24       -5.38    55480.0/                            ! fit btw. 298 and 1400 K with MAE of 2.0%, 5.3%
  PLOG/1.000E+02    3.80E+13       -0.97    58840.0/
  PLOG/1.000E+02    1.53E+07       -2.81    42830.0/                            ! fit btw. 298 and 1600 K with MAE of 36.2%, 128.3%

C4H72-2=C2H5+C2H2                                   3.03E+14       -1.33    57990.0
  PLOG/1.000E-02    1.08E+68      -19.96    62040.0/
  PLOG/1.000E-02    4.60E+61      -22.26    44480.0/                            ! fit btw. 298 and 1200 K with MAE of 198.7%, 1051.2%
  PLOG/1.000E-01    6.03E+150      -44.69    99860.0/
  PLOG/1.000E-01    1.73E+35       -9.36    52460.0/                            ! fit btw. 298 and 1200 K with MAE of 1.4%, 4.8%
  PLOG/1.000E+00    8.95E+62      -17.00    69040.0/
  PLOG/1.000E+00    4.44E+32       -8.06    54840.0/                            ! fit btw. 298 and 1300 K with MAE of 1.0%, 2.4%
  PLOG/1.000E+01    2.16E+55      -13.95    71630.0/
  PLOG/1.000E+01    2.49E+27       -6.19    56320.0/                            ! fit btw. 298 and 1400 K with MAE of 1.8%, 4.7%
  PLOG/1.000E+02    6.07E+17       -2.26    60260.0/
  PLOG/1.000E+02    1.73E+11       -4.11    43990.0/                            ! fit btw. 298 and 1600 K with MAE of 35.1%, 119.6%

C4H72-2=C3H4-P+CH3                                +2.03000000E+050 -1.06900000E+001 +5.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.24000000E+075 -1.97600000E+001 +5.51100000E+004 /
PLOG /                           +1.00000000E-002 +5.29000000E+042 -9.85000000E+000 +4.08200000E+004 /
PLOG /                           +1.00000000E-001 +1.19000000E+069 -1.73600000E+001 +5.45800000E+004 /
PLOG /                           +1.00000000E-001 +7.53000000E+038 -8.44000000E+000 +4.03000000E+004 /
PLOG /                           +1.00000000E+000 +4.60000000E+061 -1.47100000E+001 +5.37200000E+004 /
PLOG /                           +1.00000000E+000 +1.99000000E+036 -7.52000000E+000 +3.98900000E+004 /
PLOG /                           +1.00000000E+001 +1.80000000E+056 -1.27500000E+001 +5.37400000E+004 /
PLOG /                           +1.00000000E+001 +5.55000000E+031 -5.94000000E+000 +3.90300000E+004 /
PLOG /                           +1.00000000E+002 +2.03000000E+050 -1.06900000E+001 +5.35000000E+004 /
PLOG /                           +1.00000000E+002 +1.65000000E+026 -4.04000000E+000 +3.79100000E+004 /

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+H<=>PRODUCTS

C4H72-2+H<=>C4H71-3+H                            +2.28000000E+029 -4.12000000E+000 +2.09000000E+004 !\Author: HL, ANALOGY WITH C3H5-T+H<=>C3H5-A+H, \Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.11000000E+017 -1.08000000E+000 +1.29000000E+003 /
PLOG /                           +1.00000000E-002 +6.41000000E+003 +2.61000000E+000 -3.77840000E+003 /
PLOG /                           +1.00000000E-001 +9.05000000E+029 -4.91000000E+000 +8.54000000E+003 /
PLOG /                           +1.00000000E-001 +5.19000000E+014 -3.00000000E-001 +1.09040000E+003 /
PLOG /                           +1.00000000E+000 +2.98000000E+030 -4.79000000E+000 +1.20000000E+004 /
PLOG /                           +1.00000000E+000 +8.17000000E+011 +4.90000000E-001 +1.18460000E+003 /
PLOG /                           +1.00000000E+001 +8.22000000E+028 -4.14000000E+000 +1.54000000E+004 /
PLOG /                           +1.00000000E+001 +2.79000000E+009 +1.09000000E+000 +1.18750000E+003 /
PLOG /                           +1.00000000E+002 +2.28000000E+029 -4.12000000E+000 +2.09000000E+004 /
PLOG /                           +1.00000000E+002 +6.75000000E+003 +2.70000000E+000 +3.73800000E+002 /

C4H72-2+H<=>C3H5-S+CH3                            +3.15000000E+032 -4.83000000E+000 +2.60000000E+004 !\Author: HL, ANALOGY WITH C3H5-T+H<=>C2H3+CH3, \Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.31000000E+016 -6.90000000E-001 +5.20000000E+003 /
PLOG /                           +1.00000000E-002 +8.04000000E+013 -1.40000000E-001 +1.15000000E+003 /
PLOG /                           +1.00000000E-001 +9.04000000E+016 -8.10000000E-001 +4.80000000E+003 /
PLOG /                           +1.00000000E-001 +7.17000000E+010 +6.70000000E-001 +6.73800000E+002 /
PLOG /                           +1.00000000E+000 +2.01000000E+024 -2.86000000E+000 +1.09000000E+004 /
PLOG /                           +1.00000000E+000 +9.97000000E+008 +1.36000000E+000 +1.59640000E+003 /
PLOG /                           +1.00000000E+001 +2.75000000E+026 -3.31000000E+000 +1.58000000E+004 /
PLOG /                           +1.00000000E+001 +7.41000000E+007 +1.57000000E+000 +2.10880000E+003 /
PLOG /                           +1.00000000E+002 +3.15000000E+032 -4.83000000E+000 +2.60000000E+004 /
PLOG /                           +1.00000000E+002 +2.70000000E+012 +3.20000000E-001 +6.79180000E+003 /

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C4H72-2+H<=>C4H6-2+H2                             +3.34000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: HL, ANALOGY WITH C3H5-T+H<=>C3H4-P+H2, \Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C4H72-2+CH3<=>C4H6-2+CH4                          +1.00000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: HL, ANALOGY WITH C3H5-T+CH3<=>C3H4-P+CH4, \Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C4H72-2+O<=>CH3+CH3CHCO                           +6.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: HL, ANALOGY WITH C3H5-T+O<=>CH3+CH2CO, \Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C4H72-2+OH<=>C4H72-2OH                            +5.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: HL, ANALOGY WITH C3H5-T+OH<=>IC3H5OH, \Ref: REVERSE BY ANALOGY HCO+OH -->PRODUCTS !\Comment: WARNING 
C4H72-2+OH=>CH3+CH3CHCO+H                         +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: HL, ANALOGY WITH C3H5-T+OH=>CH3+CH2CO+H, \Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C4H72-2+HO2=>CH3+CH3CHCO+OH                       +2.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: HL, ANALOGY WITH C3H5-T+HO2=>CH3+CH2CO+OH, \Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C4H72-2+HCO<=>C4H8-2+CO                           +9.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: HL, ANALOGY WITH C3H5-T+HCO<=>C3H6+CO, \Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>RO2
!___________________________________________________________________________________________________________ 
C4H72-2O2<=>CH3CHCOCH3+O                          +4.30000000E+048 -1.03100000E+001 +5.60900000E+004 !\Author: HL, ANALOGY WITH TC3H5OO<=>CH3COCH2+O, \Ref: ANALOGY TO C2H3OO<=>CH2CHO+O !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.70000000E+180 -4.81900000E+001 +1.69300000E+005 /
PLOG /                           +1.00000000E-002 +1.47000000E+030 -6.64000000E+000 +4.11100000E+004 /
PLOG /                           +1.00000000E-001 +3.90000000E+038 -8.69000000E+000 +4.27700000E+004 /
PLOG /                           +1.00000000E-001 +9.65000000E-012 +5.96000000E+000 +2.28900000E+004 /
PLOG /                           +3.16000000E-001 +4.57000000E+047 -1.12100000E+001 +4.70500000E+004 /
PLOG /                           +3.16000000E-001 +3.95000000E+022 -3.71000000E+000 +3.62700000E+004 /
PLOG /                           +1.00000000E+000 +7.62000000E+081 -2.12800000E+001 +6.50800000E+004 /
PLOG /                           +1.00000000E+000 +2.39000000E+033 -6.62000000E+000 +4.12800000E+004 /
PLOG /                           +3.16000000E+000 +1.86000000E+068 -1.68300000E+001 +6.06800000E+004 /
PLOG /                           +3.16000000E+000 +6.37000000E+031 -5.96000000E+000 +4.12600000E+004 /
PLOG /                           +1.00000000E+001 +2.02000000E+055 -1.26900000E+001 +5.58400000E+004 /
PLOG /                           +1.00000000E+001 +2.13000000E+029 -5.10000000E+000 +4.07100000E+004 /
PLOG /                           +3.16000000E+001 +1.11000000E+053 -1.17900000E+001 +5.66900000E+004 /
PLOG /                           +3.16000000E+001 +4.66000000E+027 -4.50000000E+000 +4.05300000E+004 /
PLOG /                           +1.00000000E+002 +4.30000000E+048 -1.03100000E+001 +5.60900000E+004 /
PLOG /                           +1.00000000E+002 +5.99000000E+025 -3.85000000E+000 +4.01200000E+004 /

C4H72-2O2<=>CH3COCOCH3+H                          +1.30000000E+032 -5.92000000E+000 +4.06600000E+004 !\Author: HL, ANALOGY WITH TC3H5OO<=>CH3COCHO+H, \Ref: ANALOGY TO C2H3OO<=>CHOCHO+O !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.41000000E+080 -2.22000000E+001 +5.17500000E+004 /
PLOG /                           +1.00000000E-002 +1.19000000E+028 -6.01000000E+000 +2.87400000E+004 /
PLOG /                           +1.00000000E-001 +3.31000000E+065 -1.70100000E+001 +4.80900000E+004 /
PLOG /                           +1.00000000E-001 +1.40000000E+025 -4.80000000E+000 +2.89400000E+004 /
PLOG /                           +3.16000000E-001 +5.98000000E+051 -1.26200000E+001 +4.30000000E+004 /
PLOG /                           +3.16000000E-001 +2.91000000E+020 -3.29000000E+000 +2.75500000E+004 /
PLOG /                           +1.00000000E+000 +1.48000000E+044 -1.01200000E+001 +4.07900000E+004 /
PLOG /                           +1.00000000E+000 +1.58000000E+019 -2.82000000E+000 +2.76200000E+004 /
PLOG /                           +3.16000000E+000 +1.26000000E+059 -1.43300000E+001 +5.13900000E+004 /
PLOG /                           +3.16000000E+000 +1.93000000E+022 -3.54000000E+000 +2.99800000E+004 /
PLOG /                           +1.00000000E+001 +4.93000000E+026 -4.67000000E+000 +3.43200000E+004 /
PLOG /                           +1.00000000E+001 +7.51000000E+029 -5.75000000E+000 +3.44900000E+004 /
PLOG /                           +3.16000000E+001 +2.06000000E+033 -6.38000000E+000 +3.95200000E+004 /
PLOG /                           +3.16000000E+001 +7.14000000E+061 -1.61600000E+001 +4.32800000E+004 /
PLOG /                           +1.00000000E+002 +1.30000000E+032 -5.92000000E+000 +4.06600000E+004 /
PLOG /                           +1.00000000E+002 +1.14000000E+019 -2.56000000E+000 +2.96700000E+004 /

C4H72-2+O2<=>C4H72-2O2                            +4.64000000E+030 -5.51000000E+000 +7.33000000E+003 !\Author: SD !\Ref: ANALOGY FROM CHEN&GOLDSMITH, JPCA, 2017, 121(48),9173-9184 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.83000000E+031 -7.74000000E+000 +5.06100000E+003 /
PLOG /                           +1.00000000E-001 +7.42000000E+039 -9.66000000E+000 +6.05200000E+003 /
PLOG /                           +1.00000000E+000 +5.52000000E+042 -9.87000000E+000 +8.63300000E+003 /
PLOG /                           +1.00000000E+001 +1.07000000E+039 -8.28000000E+000 +9.36200000E+003 /
PLOG /                           +1.00000000E+002 +4.64000000E+030 -5.51000000E+000 +7.33000000E+003 /
C4H72-2+O2<=>CH3CO+CH3CHO                         +9.27000000E+021 -2.74000000E+000 +9.36400000E+003 !\Author: SD !\Ref: ANALOGY FROM CHEN&GOLDSMITH, JPCA, 2017, 121(48),9173-9184 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.13000000E+020 -2.57000000E+000 +2.36600000E+003 /
PLOG /                           +1.00000000E-001 +5.55000000E+020 -2.61000000E+000 +2.45800000E+003 /
PLOG /                           +1.00000000E+000 +9.03000000E+022 -3.21000000E+000 +4.29600000E+003 /
PLOG /                           +1.00000000E+001 +1.36000000E+025 -3.76000000E+000 +7.61400000E+003 /
PLOG /                           +1.00000000E+002 +9.27000000E+021 -2.74000000E+000 +9.36400000E+003 /
C4H72-2O2<=>CH3CO+CH3CHO                          +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H3OO<=>CH2O+HCO GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.66000000E+174 -5.55200000E+001 +6.03200000E+004 /
PLOG /                           +1.00000000E-002 +2.27000000E+035 -7.97000000E+000 +3.12800000E+004 /
PLOG /                           +1.00000000E-001 +9.03000000E+066 -1.72500000E+001 +4.81200000E+004 /
PLOG /                           +1.00000000E-001 +2.08000000E+026 -4.96000000E+000 +2.87800000E+004 /
PLOG /                           +1.00000000E+000 +8.64000000E+033 -6.88000000E+000 +3.43700000E+004 /
PLOG /                           +1.00000000E+000 +1.06000000E+130 -3.93800000E+001 +5.47000000E+004 /
PLOG /                           +1.00000000E+001 +1.03000000E+032 -6.06000000E+000 +3.55000000E+004 /
PLOG /                           +1.00000000E+001 +2.18000000E+175 -5.37800000E+001 +6.85000000E+004 /
PLOG /                           +1.00000000E+002 +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+002 +4.68000000E+002 +1.81000000E+000 +1.81000000E+004 /
C4H72-2O2=>CH3+CO+CH3CHO                          +1.33000000E+030 -5.19000000E+000 +3.68000000E+004 !\Author: WARNING !\Ref: C2H3OO=>CH2O+H+CO GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.88000000E+174 -5.55200000E+001 +6.03200000E+004 /
PLOG /                           +1.00000000E-002 +5.29000000E+035 -7.97000000E+000 +3.12800000E+004 /
PLOG /                           +1.00000000E-001 +2.11000000E+067 -1.72500000E+001 +4.81200000E+004 /
PLOG /                           +1.00000000E-001 +4.85000000E+026 -4.96000000E+000 +2.87800000E+004 /
PLOG /                           +1.00000000E+000 +2.02000000E+034 -6.88000000E+000 +3.43700000E+004 /
PLOG /                           +1.00000000E+000 +2.46000000E+130 -3.93800000E+001 +5.47000000E+004 /
PLOG /                           +1.00000000E+001 +2.40000000E+032 -6.06000000E+000 +3.55000000E+004 /
PLOG /                           +1.00000000E+001 +5.09000000E+175 -5.37800000E+001 +6.85000000E+004 /
PLOG /                           +1.00000000E+002 +1.33000000E+030 -5.19000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+002 +1.09000000E+003 +1.81000000E+000 +1.81000000E+004 /
C4H72-2+O2<=>CH3CCOCH3+OH                               2.00E+19       -2.07    13700.0                !\Author: HL !\Ref: ANALOGY WITH C3H5-T+O2<=>CH3COCH+OH, \Ref: Xi Chen, 2017; WARNING !\Comment: WARNING
PLOG/1.000E-02    2.58E+11       -0.03    3257.0/                             ! fit btw. 500 and 2200 K with MAE of 1.0%, 2.2%
PLOG/1.000E-01    5.24E+11       -0.11    3509.0/                             ! fit btw. 500 and 2200 K with MAE of 1.0%, 2.5%
PLOG/3.160E-01    2.10E+12       -0.28    4004.0/                             ! fit btw. 500 and 2200 K with MAE of 1.2%, 3.2%
PLOG/1.000E+00    4.03E+13       -0.63    5094.0/                             ! fit btw. 500 and 2200 K with MAE of 1.7%, 4.4%
PLOG/3.160E+00    4.15E+15       -1.18    6938.0/                             ! fit btw. 500 and 2200 K with MAE of 2.2%, 5.6%
PLOG/1.000E+01    6.74E+17       -1.77    9318.0/                             ! fit btw. 500 and 2200 K with MAE of 2.5%, 5.2%
PLOG/3.160E+01    2.08E+19       -2.14    11730.0/                            ! fit btw. 500 and 2200 K with MAE of 3.3%, 13.3%
PLOG/1.000E+02    2.00E+19       -2.07    13700.0/                            ! fit btw. 500 and 2200 K with MAE of 6.4%, 21.4%
C4H72-2+O2<=>CH3CHCOCH3+O                               9.00E+15       -1.11    10430.0            !\Author: HL !\Ref: ANALOGY WITH C3H5-T+O2<=>CH3COCH2+O, \Ref: Xi Chen, 2017; WARNING !\Comment: WARNING 
PLOG/1.000E-02    1.49E+11        0.06    2258.0/                             ! fit btw. 500 and 2200 K with MAE of 1.1%, 2.6%
PLOG/1.000E-01    3.09E+11       -0.03    2517.0/                             ! fit btw. 500 and 2200 K with MAE of 1.1%, 2.7%
PLOG/3.160E-01    1.35E+12       -0.21    3043.0/                             ! fit btw. 500 and 2200 K with MAE of 1.3%, 3.5%
PLOG/1.000E+00    2.91E+13       -0.57    4182.0/                             ! fit btw. 500 and 2200 K with MAE of 1.8%, 4.7%
PLOG/3.160E+00    2.51E+15       -1.10    5996.0/                             ! fit btw. 500 and 2200 K with MAE of 2.3%, 5.6%
PLOG/1.000E+01    1.49E+17       -1.57    8096.0/                             ! fit btw. 500 and 2200 K with MAE of 2.7%, 8.5%
PLOG/3.160E+01    4.62E+17       -1.65    9787.0/                             ! fit btw. 500 and 2200 K with MAE of 4.2%, 18.8%
PLOG/1.000E+02    9.00E+15       -1.11    10430.0/                            ! fit btw. 500 and 2200 K with MAE of 8.1%, 28.3%
C4H72-2+O2<=>C4H612+HO2                                 1.83E+08        1.11    10240.0           !\Author: HL !\Ref: ANALOGY WITH C3H5-T+O2<=>C3H4-A+HO2, \Ref: Xi Chen, 2017; WARNING !\Comment: WARNING 
PLOG/1.000E-02    1.48E+07        1.28    4732.0/                             ! fit btw. 500 and 2200 K with MAE of 1.3%, 6.9%
PLOG/1.000E-01    1.05E+07        1.33    4929.0/                             ! fit btw. 500 and 2200 K with MAE of 2.8%, 12.2%
PLOG/3.160E-01    4.15E+06        1.45    4916.0/                             ! fit btw. 500 and 2200 K with MAE of 3.6%, 12.9%
PLOG/1.000E+00    2.55E+06        1.53    5139.0/                             ! fit btw. 500 and 2200 K with MAE of 3.6%, 10.7%
PLOG/3.160E+00    6.14E+06        1.43    5931.0/                             ! fit btw. 500 and 2200 K with MAE of 2.6%, 7.2%
PLOG/1.000E+01    4.39E+07        1.22    7305.0/                             ! fit btw. 500 and 2200 K with MAE of 1.7%, 6.6%
PLOG/3.160E+01    3.59E+08        0.99    8997.0/                             ! fit btw. 500 and 2200 K with MAE of 2.6%, 12.4%
PLOG/1.000E+02    1.83E+08        1.11    10240.0/                            ! fit btw. 500 and 2200 K with MAE of 5.4%, 21.7%
C4H72-2+O2<=>C4H6-2+HO2                                 4.23E+12       -0.08    12010.0            !\Author: HL !\Ref: ANALOGY WITH C3H5-T+O2<=>C3H4-P+HO2, \Ref: Xi Chen, 2017; WARNING !\Comment: WARNING 
PLOG/1.000E-02    6.22E+05        1.70    3399.0/                             ! fit btw. 500 and 2200 K with MAE of 0.8%, 4.3%
PLOG/1.000E-01    1.07E+06        1.63    3587.0/                             ! fit btw. 500 and 2200 K with MAE of 0.7%, 3.6%
PLOG/3.160E-01    3.19E+06        1.50    3969.0/                             ! fit btw. 500 and 2200 K with MAE of 0.5%, 2.5%
PLOG/1.000E+00    3.80E+07        1.20    4854.0/                             ! fit btw. 500 and 2200 K with MAE of 0.7%, 1.7%
PLOG/3.160E+00    2.52E+09        0.70    6443.0/                             ! fit btw. 500 and 2200 K with MAE of 1.4%, 3.2%
PLOG/1.000E+01    3.53E+11        0.12    8580.0/                             ! fit btw. 500 and 2200 K with MAE of 2.0%, 4.9%
PLOG/3.160E+01    1.02E+13       -0.25    10680.0/                            ! fit btw. 500 and 2200 K with MAE of 3.0%, 14.3%
PLOG/1.000E+02    4.23E+12       -0.08    12010.0/                            ! fit btw. 500 and 2200 K with MAE of 6.6%, 25.2%
C4H72-2+O2<=>C2H4COCH2+OH                              3.51E+10        0.68    19690.0         !\Author: HL !\Ref: ANALOGY WITH C3H5-T+O2<=>CH2COCH2+OH, \Ref: Xi Chen, 2017; WARNING !\Comment: WARNING 
PLOG/1.000E-02    5.83E+15       -1.22    8200.0/                             ! fit btw. 500 and 2200 K with MAE of 4.0%, 9.2%
PLOG/1.000E-01    1.53E+20       -2.41    12680.0/                            ! fit btw. 500 and 2200 K with MAE of 3.9%, 9.3%
PLOG/3.160E-01    3.54E+21       -2.75    14870.0/                            ! fit btw. 500 and 2200 K with MAE of 3.8%, 11.1%
PLOG/1.000E+00    5.22E+21       -2.74    16660.0/                            ! fit btw. 500 and 2200 K with MAE of 4.9%, 20.6%
PLOG/3.160E+00    3.93E+20       -2.36    17980.0/                            ! fit btw. 500 and 2200 K with MAE of 7.9%, 27.7%
PLOG/1.000E+01    1.41E+18       -1.59    18860.0/                            ! fit btw. 500 and 2200 K with MAE of 10.7%, 32.3%
PLOG/3.160E+01    1.66E+15       -0.70    19670.0/                            ! fit btw. 500 and 2200 K with MAE of 14.2%, 37.5%
PLOG/1.000E+02    3.51E+10        0.68    19690.0/                            ! fit btw. 500 and 2200 K with MAE of 17.4%, 42.4%
C4H72-2+O2<=>CH3CHCO+CH3O                                1.31E+20       -2.66    10120.0          !\Author: HL !\Ref: ANALOGY WITH C3H5-T+O2<=>CH2CO+CH3O, \Ref: Xi Chen, 2017; WARNING !\Comment: WARNING 
PLOG/1.000E-02    3.91E+17       -2.16    2134.0/                             ! fit btw. 500 and 2200 K with MAE of 1.5%, 4.2%
PLOG/1.000E-01    5.63E+17       -2.21    2258.0/                             ! fit btw. 500 and 2200 K with MAE of 1.5%, 4.4%
PLOG/3.160E-01    2.58E+18       -2.39    2783.0/                             ! fit btw. 500 and 2200 K with MAE of 1.7%, 5.2%
PLOG/1.000E+00    8.55E+19       -2.81    4092.0/                             ! fit btw. 500 and 2200 K with MAE of 2.2%, 6.3%
PLOG/3.160E+00    6.99E+21       -3.32    6045.0/                             ! fit btw. 500 and 2200 K with MAE of 2.5%, 6.1%
PLOG/1.000E+01    8.54E+22       -3.59    7948.0/                             ! fit btw. 500 and 2200 K with MAE of 3.1%, 12.3%
PLOG/3.160E+01    1.86E+22       -3.34    9226.0/                             ! fit btw. 500 and 2200 K with MAE of 5.9%, 21.9%
PLOG/1.000E+02    1.31E+20       -2.66    10120.0/                            ! fit btw. 500 and 2200 K with MAE of 9.0%, 28.3%
C4H72-2+O2<=>CH3COCOCH3+H                                2.21E+16       -1.38    8537.0        !\Author: HL !\Ref: ANALOGY WITH C3H5-T+O2<=>CH3COCHO+H , \Ref: Xi Chen, 2017; WARNING !\Comment: WARNING 
PLOG/1.000E-02    1.03E+13       -0.65    440.9/                              ! fit btw. 500 and 2200 K with MAE of 2.5%, 6.7%
PLOG/1.000E-01    1.55E+13       -0.70    585.4/                              ! fit btw. 500 and 2200 K with MAE of 2.6%, 6.9%
PLOG/3.160E-01    6.98E+13       -0.88    1112.0/                             ! fit btw. 500 and 2200 K with MAE of 3.0%, 7.7%
PLOG/1.000E+00    2.24E+15       -1.29    2406.0/                             ! fit btw. 500 and 2200 K with MAE of 3.5%, 8.9%
PLOG/3.160E+00    2.11E+17       -1.83    4369.0/                             ! fit btw. 500 and 2200 K with MAE of 3.5%, 9.0%
PLOG/1.000E+01    4.87E+18       -2.17    6393.0/                             ! fit btw. 500 and 2200 K with MAE of 3.4%, 8.4%
PLOG/3.160E+01    2.97E+18       -2.05    7863.0/                             ! fit btw. 500 and 2200 K with MAE of 4.6%, 18.9%
PLOG/1.000E+02    2.21E+16       -1.38    8537.0/                             ! fit btw. 500 and 2200 K with MAE of 8.0%, 26.6%
C4H72-2+O2<=>CH3CHCO+CH2OH                               2.83E+17       -1.86    8967.0           !\Author: HL !\Ref: ANALOGY WITH C3H5-T+O2<=>CH2CO+CH2OH, \Ref: Xi Chen, 2017; WARNING !\Comment: WARNING 
PLOG/1.000E-02    3.15E+14       -1.24    987.1/                              ! fit btw. 500 and 2200 K with MAE of 2.3%, 6.4%
PLOG/1.000E-01    4.56E+14       -1.28    1114.0/                             ! fit btw. 500 and 2200 K with MAE of 2.3%, 6.6%
PLOG/3.160E-01    2.05E+15       -1.46    1636.0/                             ! fit btw. 500 and 2200 K with MAE of 2.7%, 7.3%
PLOG/1.000E+00    6.75E+16       -1.88    2938.0/                             ! fit btw. 500 and 2200 K with MAE of 3.2%, 8.5%
PLOG/3.160E+00    2.06E+18       -2.28    4582.0/                             ! fit btw. 500 and 2200 K with MAE of 3.7%, 9.7%
PLOG/1.000E+01    2.45E+19       -2.54    6436.0/                             ! fit btw. 500 and 2200 K with MAE of 4.1%, 19.2%
PLOG/3.160E+01    1.16E+20       -2.67    8556.0/                             ! fit btw. 500 and 2200 K with MAE of 4.3%, 12.1%
PLOG/1.000E+02    2.83E+17       -1.86    8967.0/                             ! fit btw. 500 and 2200 K with MAE of 8.0%, 25.7%
!C4H72-2+O2<=>CH3CHO+CH3CO                                9.27E+21       -2.74    9364.0           !\Author: HL !\Ref: ANALOGY WITH C3H5-T+O2<=>CH2O+CH3CO, \Ref: Xi Chen, 2017; WARNING !\Comment: WARNING 
!PLOG/1.000E-02    4.13E+20       -2.57    2366.0/                             ! fit btw. 500 and 2200 K with MAE of 1.5%, 4.2%
!PLOG/1.000E-01    5.55E+20       -2.61    2458.0/                             ! fit btw. 500 and 2200 K with MAE of 1.5%, 4.3%
!PLOG/3.160E-01    2.55E+21       -2.79    2974.0/                             ! fit btw. 500 and 2200 K with MAE of 1.7%, 5.1%
!PLOG/1.000E+00    9.03E+22       -3.21    4296.0/                             ! fit btw. 500 and 2200 K with MAE of 2.2%, 6.3%
!PLOG/3.160E+00    7.37E+24       -3.73    6259.0/                             ! fit btw. 500 and 2200 K with MAE of 2.5%, 5.9%
!PLOG/1.000E+01    1.36E+25       -3.76    7614.0/                             ! fit btw. 500 and 2200 K with MAE of 4.4%, 22.5%
!PLOG/3.160E+01    9.70E+24       -3.66    9232.0/                             ! fit btw. 500 and 2200 K with MAE of 5.9%, 19.5%
!PLOG/1.000E+02    9.27E+21       -2.74    9364.0/                             ! fit btw. 500 and 2200 K with MAE of 9.1%, 27.2%
C4H72-2+O2=>CH3CHO+CH3+CO                            +7.07000000E+033 -6.28000000E+000 +1.60000000E+004 !\Author: HL !\Ref: ANALOGY WITH C3H5-T+O2=>CH2O+CH3+CO, \Ref: GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.47000000E+036 -7.60000000E+000 +1.26400000E+004 /
PLOG /                           +1.00000000E-002 +1.18000000E+016 -1.28000000E+000 +5.15300000E+002 /
PLOG /                           +1.00000000E-001 +6.29000000E+036 -7.60000000E+000 +1.26100000E+004 /
PLOG /                           +1.00000000E-001 +1.19000000E+016 -1.28000000E+000 +5.13000000E+002 /
PLOG /                           +3.16000000E-001 +5.06000000E+036 -7.57000000E+000 +1.24900000E+004 /
PLOG /                           +3.16000000E-001 +1.26000000E+016 -1.29000000E+000 +5.20600000E+002 /
PLOG /                           +1.00000000E+000 +7.07000000E+035 -7.32000000E+000 +1.18200000E+004 /
PLOG /                           +1.00000000E+000 +1.58000000E+016 -1.31000000E+000 +6.45700000E+002 /
PLOG /                           +3.16000000E+000 +3.72000000E+036 -7.47000000E+000 +1.24600000E+004 /
PLOG /                           +3.16000000E+000 +2.44000000E+016 -1.36000000E+000 +1.06600000E+003 /
PLOG /                           +1.00000000E+001 +1.34000000E+036 -7.20000000E+000 +1.34300000E+004 /
PLOG /                           +1.00000000E+001 +6.64000000E+015 -1.18000000E+000 +1.42900000E+003 /
PLOG /                           +3.16000000E+001 +8.26000000E+020 -2.57000000E+000 +5.57800000E+003 /
PLOG /                           +3.16000000E+001 +2.66000000E+069 -1.92300000E+001 +1.47600000E+004 /
PLOG /                           +1.00000000E+002 +7.07000000E+033 -6.28000000E+000 +1.60000000E+004 /
PLOG /                           +1.00000000E+002 +1.09000000E+011 +1.90000000E-001 +8.30600000E+002 /
!___________________________________________________________________________________________________________ 
!===========================================================================================================
!\ENDSUBSPECIES: C4H72-2
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONOH
!___________________________________________________________________________________________________________ 
C4H8-2+OH<=>SC4H8OH-3                             +3.72000000E+018 -2.03000000E+000 -4.00000000E-001 !\Author: SD !\Ref: ANTONOV, IVAN O., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A119.28(2015) !\Comment: WARNING 
PLOG /                           +9.87000000E-004 +1.10000000E+039 -9.21000000E+000 +3.56500000E+003 /
PLOG /                           +9.87000000E-004 +3.72000000E-040 +1.56000000E+001 -1.04000000E+004 /
PLOG /                           +9.87000000E-003 +1.70000000E+063 -1.66700000E+001 +1.26000000E+004 /
PLOG /                           +9.87000000E-003 +1.71000000E+026 -4.90000000E+000 +8.77900000E+002 /
PLOG /                           +9.87000000E-002 +1.93000000E+072 -1.90200000E+001 +1.89400000E+004 /
PLOG /                           +9.87000000E-002 +1.55000000E+023 -3.72000000E+000 +5.66500000E+002 /
PLOG /                           +9.87000000E-001 +1.53000000E+026 -4.36000000E+000 +3.21500000E+003 /
PLOG /                           +9.87000000E-001 +2.98000000E+026 -5.01000000E+000 +8.81100000E+002 /
PLOG /                           +9.87000000E+000 +8.24000000E+024 -4.41000000E+000 +7.22000000E+002 /
PLOG /                           +9.87000000E+000 +4.58000000E+020 -2.50000000E+000 +2.16000000E+003 /
PLOG /                           +9.87000000E+001 +3.72000000E+018 -2.03000000E+000 -4.00000000E-001 /
PLOG /                           +9.87000000E+001 +9.84000000E+020 -2.39000000E+000 +5.54300000E+003 /
SC3H5OH+CH3<=>SC4H8OH-3                           +6.40000000E+006 +1.67089580E+000 +1.02702430E+004 !\Author: WARNING !\Ref: J. ZA DOR, J.A. MILLER / PROCEEDINGS OF THE COMBUSTION INSTITUTE 34(2013) 519 C526 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONO
!___________________________________________________________________________________________________________ 
C4H8-2+O<=>CH3+C2H5CO                             +7.45000000E+006 +1.88000000E+000 +1.83000000E+002 !\Author: WARNING !\Ref: ANALOGY WITH C3H6+O !\Comment: WARNING 
C4H8-2+O=>CH2CO+C2H5+H                            +3.05000000E+006 +1.88000000E+000 +1.83000000E+002 !\Author: WARNING !\Ref: ANALOGY WITH C3H6+O !\Comment: WARNING 
C4H8-2+O=>C2H5CHCO+H+H                            +3.05000000E+006 +1.88000000E+000 +1.83000000E+002 !\Author: WARNING !\Ref: ANALOGY WITH C3H6+O !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONHO2
!___________________________________________________________________________________________________________ 
SC4H9O2<=>C4H8-2+HO2                              +7.25000000E+009 +8.00000000E-001 +2.99000000E+004 !\Author: WARNING !\Ref: VILLANO(FROM KUIWEN'S MECH) !\Comment: WARNING 
DUP
SC4H9O2<=>C4H8-2+HO2                              +1.70000000E+010 +6.70000000E-001 +3.07000000E+004 !\Author: WARNING !\Ref: VILLANO(FROM KUIWEN'S MECH) !\Comment: WARNING 
DUP

!DONG 220619!C4H8OOH1-2<=>C4H8-1+HO2                           +5.63000000E+009 +9.70000000E-001 +1.50000000E+004 !\Author: WARNING !\Ref: S.M. VILLANO !\Comment: WARNING 
!DONG 220619!C4H8OOH2-1<=>C4H8-1+HO2                           +3.56000000E+012 +2.40000000E-001 +1.57000000E+004 !A*2.0 \Author: WARNING !\Ref: S.M. VILLANO !\Comment: WARNING 

C4H8-1+HO2<=>C4H8OOH1-2                           +2.82000000E+004 +2.49000000E+000 +1.47340000E+004 !\Author: SD !\Ref: ZADOR, J., KLIPPENSTEIN, S. J., & MILLER, J. A.(2011). THE JOURNAL OF PHYSICAL CHEMISTRY A, 115(36), 10218-10225. !\Comment: WARNING 
C4H8-1+HO2<=>C4H8OOH2-1                           +1.36000000E+002 +3.00000000E+000 +1.24840000E+004 !\Author: SD !\Ref: ZADOR, J., KLIPPENSTEIN, S. J., & MILLER, J. A.(2011). THE JOURNAL OF PHYSICAL CHEMISTRY A, 115(36), 10218-10225. !\Comment: WARNING 
C4H8-2+HO2<=>C4H8OOH2-3                           +9.56000000E+003 +2.58000000E+000 +1.03470000E+004 !\Author: SD !\Ref: ZADOR, J., KLIPPENSTEIN, S. J., & MILLER, J. A.(2011). THE JOURNAL OF PHYSICAL CHEMISTRY A, 115(36), 10218-10225. !\Comment: WARNING 
C4H8-1+HO2<=>C4H8O1-2+OH                          +2.73000000E+021 -2.51000000E+000 +2.78570000E+004 !\Author: SD !\Ref: ZADOR, J., KLIPPENSTEIN, S. J., & MILLER, J. A.(2011). THE JOURNAL OF PHYSICAL CHEMISTRY A, 115(36), 10218-10225. !\Comment: WARNING 
C4H8-2+HO2<=>C4H8O2-3+OH                          +8.37000000E+020 -2.28314000E+000 +2.28380000E+004 !\Author: SD !\Ref: ZADOR, J., KLIPPENSTEIN, S. J., & MILLER, J. A.(2011). THE JOURNAL OF PHYSICAL CHEMISTRY A, 115(36), 10218-10225. !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONRO2
!___________________________________________________________________________________________________________ 
!DONG 220619!C4H8-1+CH3O2<=>C4H8O1-2+CH3O                      +1.00000000E+012 +0.00000000E+000 +1.43400000E+004 !\Author: WARNING !\Ref: IN ARAMCO(ALLARA, D. L. AND EDELSON, D., INT. J. CHEM. KINET. 7, 479(1975). !\Comment: WARNING 
!DONG 220619!C4H8-2+CH3O2<=>C4H8O2-3+CH3O                      +5.62000000E+011 +0.00000000E+000 +1.23100000E+004 !\Author: WARNING !\Ref: IN ARAMCO(SEATTLE, AUGUST, 1988) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C4H8-2
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: NC4H9OH
!\MECHCOMMENTS: BUTANOL CHEMISTRY IS INCOMPLETE, BUT NECESSARY FOR SIMULATING BUTENE ISOMERS, IT'S AN INTERGRAL PART OF C4 MECHANISM
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS/UNIMOLECULAR DECOMPOSITION
!___________________________________________________________________________________________________________ 
NC4H9OH=CH3+C3H6OH1-3                                  2.50E+16    0.000   84269 !ROSADO-REYES AND TSANG
NC4H9OH=C2H5+PC2H4OH                                   2.50E+16    0.000   81765 !ROSADO-REYES AND TSANG
NC4H9OH=NC3H7+CH2OH                                    2.50E+16    0.000   81765 !ROSADO-REYES AND TSANG
NC4H9OH=OH+PC4H9                                       6.33E+20   -1.370   94930 
NC4H9OH=H+PC4H9O                                       6.04E+14    0.100  103800 
NC4H9OH=C4H8-1+H2O                                     9.90E+13    0.000   69722 !ROSADO-REYES AND TSANG
H+PC4H8OH-1=NC4H9OH                                    4.00E+13    0.000       0 !
H+PC4H8OH-2=NC4H9OH                                    4.00E+13    0.000       0 !
H+PC4H8OH-3=NC4H9OH                                    4.00E+13    0.000       0 !
H+PC4H8OH-4=NC4H9OH                                    4.00E+13    0.000       0 !
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH_R_ABSTRACTION
!___________________________________________________________________________________________________________ 
NC4H9OH+H=PC4H8OH-4+H2                                 6.66E+05    2.540    6756 !REF:J.P. ORME ET AL., J. PHYS. CHEM. A, 110 (2006), PP. 114-131
NC4H9OH+H=PC4H8OH-3+H2                                 1.30E+06    2.400    4471 !REF:J.P. ORME ET AL., J. PHYS. CHEM. A, 110 (2006), PP. 114-131
NC4H9OH+H=PC4H8OH-2+H2                                 1.08E+05    2.690    4440 !REF:J.P. ORME ET AL., J. PHYS. CHEM. A, 110 (2006), PP. 114-131
NC4H9OH+H=PC4H8OH-1+H2                                 8.79E+04    2.680    2915 !REF:R. SIVARAMAKRISHNAN ET AL., J. PHYS. CHEM. A (2010)
NC4H9OH+H=PC4H9O+H2                                    9.45E+02    3.140    8701 !REF:R. SIVARAMAKRISHNAN ET AL., J. PHYS. CHEM. A (2010)
NC4H9OH+OH=PC4H8OH-4+H2O                               2.70E+06    2.000     513 !MC GILLEN ET AL., J. PHYS. CHEM. A 2013, 117, 4636-4656
NC4H9OH+OH=PC4H8OH-3+H2O                               1.46E+04    2.670   -1584 !MC GILLEN ET AL., J. PHYS. CHEM. A 2013, 117, 4636-4656
NC4H9OH+OH=PC4H8OH-2+H2O                               1.99E-01    4.110   -3692 !MC GILLEN ET AL., J. PHYS. CHEM. A 2013, 117, 4636-4656
NC4H9OH+OH=PC4H8OH-1+H2O                               3.84E+06    1.930   -1574 !MC GILLEN ET AL., J. PHYS. CHEM. A 2013, 117, 4636-4656
NC4H9OH+OH=PC4H9O+H2O                                  1.26E+06    2.000      46 !MC GILLEN ET AL., J. PHYS. CHEM. A 2013, 117, 4636-4656
NC4H9OH+O=PC4H8OH-4+OH                                 9.81E+05    2.430    4750 !
NC4H9OH+O=PC4H8OH-3+OH                                 5.52E+05    2.450    2830 !
NC4H9OH+O=PC4H8OH-2+OH                                 1.44E+05    2.610    3029 !
NC4H9OH+O=PC4H8OH-1+OH                                 1.45E+05    2.470     876 !
NC4H9OH+O=PC4H9O+OH                                    1.46E-03    4.730    1727 
NC4H9OH+O2=HO2+PC4H8OH-4                               3.00E+13    0.000   52340 !
NC4H9OH+O2=HO2+PC4H8OH-3                               2.00E+13    0.000   49800 !
NC4H9OH+O2=HO2+PC4H8OH-2                               2.00E+13    0.000   49800 !
NC4H9OH+O2=HO2+PC4H8OH-1                               2.00E+13    0.000   46800 !
NC4H9OH+O2=HO2+PC4H9O                                  1.00E+13    0.000   56340 
NC4H9OH+HO2=PC4H8OH-1+H2O2                             2.45E-05    5.260    7475 !\AUTHOR: SAGGESE1@LLNL.GOV!\REF: MITTAL ET AL., COMBUSTION AND FLAME, 2014
NC4H9OH+HO2=PC4H8OH-4+H2O2                             8.80E-02    4.310   17270 !ZHOU, 2011. COMBUSTION AND FLAME, 158(4), PP.726-731. 
NC4H9OH+HO2=PC4H8OH-3+H2O2                             2.19E-11    6.770    4852 !ENERGY FUELS 2019, DOI: 10.1021/ACS.ENERGYFUELS.9B02169, BETA SEC NPROP 
NC4H9OH+HO2=PC4H8OH-2+H2O2                             2.01E-03    4.170    3968 !ENERGY FUELS 2019, DOI: 10.1021/ACS.ENERGYFUELS.9B02169, BETA SEC 2BUT 
NC4H9OH+HO2=PC4H9O+H2O2                                6.47E-07    5.300   10530 !ZHOU, 2011. COMBUSTION AND FLAME, 158(4), PP.726-731. 
NC4H9OH+CH3=PC4H8OH-4+CH4                              4.53E-01    3.650    7154 !
NC4H9OH+CH3=PC4H8OH-3+CH4                              1.51E+00    3.460    5481 !
NC4H9OH+CH3=PC4H8OH-2+CH4                              8.02E+00    3.230    6461 !
NC4H9OH+CH3=PC4H8OH-1+CH4                              1.99E+01    3.370    7634 !
NC4H9OH+CH3=PC4H9O+CH4                                 1.02E+00    3.570    8221 
NC4H9OH+HCO=PC4H8OH-4+CH2O                             1.02E+05    2.500   18440 !
NC4H9OH+HCO=PC4H8OH-3+CH2O                             1.09E+07    1.900   17010 !
NC4H9OH+HCO=PC4H8OH-2+CH2O                             5.16E+05    2.250   16760 !
NC4H9OH+HCO=PC4H8OH-1+CH2O                             1.00E+07    1.900   17000 !
NC4H9OH+HCO=PC4H9O+CH2O                                3.40E+04    2.500   13500 
NC4H9OH+CH2OH=PC4H8OH-4+CH3OH                          1.01E+02    2.950   13970 !
NC4H9OH+CH2OH=PC4H8OH-3+CH3OH                          6.02E+01    2.950   11980 !
NC4H9OH+CH2OH=PC4H8OH-2+CH3OH                          1.53E+01    3.110   12210 !
NC4H9OH+CH2OH=PC4H8OH-1+CH3OH                          6.00E+01    2.950   12000 !
NC4H9OH+CH2OH=PC4H9O+CH3OH                             1.20E+02    2.760   10800 
NC4H9OH+CH3O=PC4H8OH-4+CH3OH                           2.17E+11    0.000    6458 !
NC4H9OH+CH3O=PC4H8OH-3+CH3OH                           1.45E+11    0.000    4571 !
NC4H9OH+CH3O=PC4H8OH-2+CH3OH                           3.02E+10    0.180    4703 !
NC4H9OH+CH3O=PC4H8OH-1+CH3OH                           1.50E+11    0.000    4500 !
NC4H9OH+CH3O=PC4H9O+CH3OH                              2.30E+10    0.000    2900 
NC4H9OH+CH3O2=PC4H8OH-4+CH3O2H                         2.38E+04    2.550   16490 !
NC4H9OH+CH3O2=PC4H8OH-3+CH3O2H                         9.64E+03    2.600   13910 !
NC4H9OH+CH3O2=PC4H8OH-2+CH3O2H                         1.58E+03    2.810   14050 !
NC4H9OH+CH3O2=PC4H8OH-1+CH3O2H                         3.00E+12    0.000   17500 !
NC4H9OH+CH3O2=PC4H9O+CH3O2H                            1.50E+12    0.000   15000 
NC4H9OH+C2H5=PC4H8OH-4+C2H6                            5.01E+10    0.000   13400 !
NC4H9OH+C2H5=PC4H8OH-3+C2H6                            5.01E+10    0.000   10400 !
NC4H9OH+C2H5=PC4H8OH-2+C2H6                            5.01E+10    0.000   10400 !
NC4H9OH+C2H5=PC4H8OH-1+C2H6                            2.01E+11    0.000    7900 !
NC4H9OH+C2H5=PC4H9O+C2H6                               1.67E+10    0.000   13400 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 

C4H71-1OH+H<=>PC4H8OH-1                           +4.26794970E+012 +4.92750690E-001 +4.44457660E+003 !\Author: WARNING !\Ref: J. ZA DOR, J.A. MILLER / PROCEEDINGS OF THE COMBUSTION INSTITUTE 34(2013) 519 C526 !\Comment: WARNING 
!DONG 0603!NC3H7CHO+H<=>PC4H8OH-1                            +9.80000000E+010 +1.19205560E+000 +8.78556580E+003 !\Author: WARNING !\Ref: J. ZA DOR, J.A. MILLER / PROCEEDINGS OF THE COMBUSTION INSTITUTE 34(2013) 519 C526 !\Comment: WARNING 
!DONG 0603!C2H3OH+C2H5<=>PC4H8OH-1                           +3.00000000E+006 +1.83442280E+000 +7.33792310E+003 !\Author: WARNING !\Ref: J. ZA DOR, J.A. MILLER / PROCEEDINGS OF THE COMBUSTION INSTITUTE 34(2013) 519 C526 !\Comment: WARNING 

PC4H8OH-1=C2H3OH+C2H5                                  6.29E+10    0.940   30454 !REF: ZHANG, KLIPPENSTEIN, AND LAW, 2013., THE JOURNAL OF PHYSICAL CHEMISTRY A, 117(9), PP.1890-1906. SAGGESE1@LLNL.GOV
PLOG /  1.30E-03  1.16E+60  -15.410   43331 /
PLOG /  1.30E-03  4.29E+20   -3.500   29211 /
PLOG /  1.30E-02  2.31E+57  -14.180   44035 /
PLOG /  1.30E-02  1.88E+21   -3.400   30221 /
PLOG /  1.30E-01  6.27E+51  -12.120   43824 /
PLOG /  1.30E-01  1.75E+22   -3.430   31344 /
PLOG /  1.00E+00  3.67E+66  -16.190   53687 /
PLOG /  1.00E+00  1.91E+26   -4.340   33740 /
PLOG /  1.00E+01  1.55E+53  -11.880   50091 /
PLOG /  1.00E+01  3.85E+22   -3.060   33037 /
PLOG /  1.00E+02  3.66E+38   -7.320   44842 /
PLOG /  1.00E+02  1.52E+20   -2.250   32511 /
PC4H8OH-1=NC3H7CHO+H                                   1.00E+10    1.110   34200 !REF: ZHANG, KLIPPENSTEIN, AND LAW, 2013., THE JOURNAL OF PHYSICAL CHEMISTRY A, 117(9), PP.1890-1906. - ANALOGY WITH ZADOR AND MILLER 2013., PROC. COMBUST. INST., 34(1), PP.519-526.  SAGGESE1@LLNL.GOV
PC4H8OH-1=CH2O+NC3H7                                   4.37E+68  -17.320   55042 !REF: ZHANG, KLIPPENSTEIN, AND LAW, 2013., THE JOURNAL OF PHYSICAL CHEMISTRY A, 117(9), PP.1890-1906. SAGGESE1@LLNL.GOV 
PLOG /  1.30E-03  3.23E+67  -17.960   43805 /
PLOG /  1.30E-03  1.23E+23   -4.470   27428 /
PLOG /  1.30E-02  4.01E+79  -21.340   50827 /
PLOG /  1.30E-02  3.34E+25   -4.930   29958 /
PLOG /  1.30E-01  1.83E+79  -20.820   55829 /
PLOG /  1.30E-01  1.06E+30   -6.210   33035 /
PLOG /  1.00E+00  4.37E+68  -17.320   55042 /
PLOG /  1.00E+00  2.37E+22   -3.830   32014 /
PLOG /  1.00E+01  2.15E+49  -11.230   50560 /
PLOG /  1.00E+01  1.64E+14   -1.220   32113 /
PLOG /  1.00E+02  1.87E+37   -7.360   48045 /
PLOG /  1.00E+02  2.96E-08    5.030   23953 /

!DONG 0603!C4H71-1OH+H<=>PC4H8OH-2                           +1.60000000E+010 +1.11403300E+000 +4.38923770E+003 !\Author: WARNING !\Ref: J. ZA DOR, J.A. MILLER / PROCEEDINGS OF THE COMBUSTION INSTITUTE 34(2013) 519 C526 !\Comment: WARNING 
!DONG 0603!C4H72-1OH+H<=>PC4H8OH-2                           +2.70000000E+011 -1.34331620E-001 +1.58465880E+003 !\Author: WARNING !\Ref: J. ZA DOR, J.A. MILLER / PROCEEDINGS OF THE COMBUSTION INSTITUTE 34(2013) 519 C526 !\Comment: WARNING 
!DONG 0603, DUP!PC4H8OH-2=C4H8-1+OH                                    9.43E+12    0.260   26259 !REF: ZHANG, KLIPPENSTEIN, AND LAW, 2013., THE JOURNAL OF PHYSICAL CHEMISTRY A, 117(9), PP.1890-1906. SAGGESE1@LLNL.GOV 
!DONG 0603, DUP!PLOG /  1.30E-03  3.44E+59  -15.530   37081 /
!DONG 0603, DUP!PLOG /  1.30E-03  3.99E+19   -3.260   24028 /
!DONG 0603, DUP!PLOG /  1.30E-02  1.21E+59  -15.000   38349 /
!DONG 0603, DUP!PLOG /  1.30E-02  1.26E+20   -3.110   24840 /
!DONG 0603, DUP!PLOG /  1.30E-01  4.43E+54  -13.250   38460 /
!DONG 0603, DUP!PLOG /  1.30E-01  4.70E+19   -2.720   25463 /
!DONG 0603, DUP!PLOG /  1.00E+00  5.35E+45  -10.220   36558 /
!DONG 0603, DUP!PLOG /  1.00E+00  3.94E+16   -1.620   24945 /
!DONG 0603, DUP!PLOG /  1.00E+01  2.50E+67  -16.360   50124 /
!DONG 0603, DUP!PLOG /  1.00E+01  4.13E+24   -3.660   28890 /
!DONG 0603, DUP!PLOG /  1.00E+02  1.42E+48  -10.300   43922 /
!DONG 0603, DUP!PLOG /  1.00E+02  5.32E+20   -2.350   28021 /
PC4H8OH-2=C3H5OH+CH3                                   4.01E+10    0.840   30893 !REF: ZHANG, KLIPPENSTEIN, AND LAW, 2013., THE JOURNAL OF PHYSICAL CHEMISTRY A, 117(9), PP.1890-1906. SAGGESE1@LLNL.GOV 
PLOG /  1.30E-03  5.37E+10   -1.260   25723 /
PLOG /  1.30E-03  1.17E+53  -14.310   38778 /
PLOG /  1.30E-02  4.81E+14   -2.060   27295 /
PLOG /  1.30E-02  2.02E+57  -15.080   41478 /
PLOG /  1.30E-01  1.94E+17   -2.460   29030 /
PLOG /  1.30E-01  5.65E+56  -14.380   43215 /
PLOG /  1.00E+00  3.08E+16   -1.940   29561 /
PLOG /  1.00E+00  1.56E+50  -11.950   42732 /
PLOG /  1.00E+01  5.17E+24   -3.980   33796 /
PLOG /  1.00E+01  1.03E+68  -16.840   54584 /
PLOG /  1.00E+02  1.94E+20   -2.450   32963 /
PLOG /  1.00E+02  2.99E+48  -10.600   48826 /
PC4H8OH-2=CH2O+NC3H7                                   4.37E+68  -17.320   55042 !REF: ZHANG, KLIPPENSTEIN, AND LAW, 2013., THE JOURNAL OF PHYSICAL CHEMISTRY A, 117(9), PP.1890-1906. SAGGESE1@LLNL.GOV 
PLOG /  1.30E-03  3.23E+67  -17.960   43805 /
PLOG /  1.30E-03  1.23E+23   -4.470   27428 /
PLOG /  1.30E-02  4.01E+79  -21.340   50827 /
PLOG /  1.30E-02  3.34E+25   -4.930   29958 /
PLOG /  1.30E-01  1.83E+79  -20.820   55829 /
PLOG /  1.30E-01  1.06E+30   -6.210   33035 /
PLOG /  1.00E+00  4.37E+68  -17.320   55042 /
PLOG /  1.00E+00  2.37E+22   -3.830   32014 /
PLOG /  1.00E+01  1.28E+52  -12.760   47087 /
PLOG /  1.00E+01  4.11E+16   -2.320   29845 /
PLOG /  1.00E+02  9.46E+36   -7.830   43355 /
PLOG /  1.00E+02  6.80E+11   -0.740   29882 /

!DONG 0603!C3H6+CH2OH<=>PC4H8OH-3                            +7.00000000E+003 +2.42680730E+000 +7.06351430E+003 !\Author: WARNING !\Ref: J. ZA DOR, J.A. MILLER / PROCEEDINGS OF THE COMBUSTION INSTITUTE 34(2013) 519 C526 !\Comment: WARNING 
!DONG 0603!C4H71-4OH+H<=>PC4H8OH-3                           +1.50000000E+011 +8.82811620E-001 +2.75062940E+003 !\Author: WARNING !\Ref: J. ZA DOR, J.A. MILLER / PROCEEDINGS OF THE COMBUSTION INSTITUTE 34(2013) 519 C526 !\Comment: WARNING 
PC4H8OH-3=C3H6+CH2OH                                   8.48E+10    0.820   29211 !REF: ZHANG, KLIPPENSTEIN, AND LAW, 2013., THE JOURNAL OF PHYSICAL CHEMISTRY A, 117(9), PP.1890-1906. SAGGESE1@LLNL.GOV
PLOG /  1.30E-03  9.73E+59  -15.430   42194 /
PLOG /  1.30E-03  3.18E+20   -3.480   27961 /
PLOG /  1.30E-02  9.26E+54  -13.510   41819 /
PLOG /  1.30E-02  8.29E+19   -3.030   28576 /
PLOG /  1.30E-01  3.25E+47  -10.880   40658 /
PLOG /  1.30E-01  2.22E+17   -2.040   28209 /
PLOG /  1.00E+00  1.85E+64  -15.570   51424 /
PLOG /  1.00E+00  9.78E+24   -3.980   32001 /
PLOG /  1.00E+01  1.78E+50  -11.060   47508 /
PLOG /  1.00E+01  1.84E+21   -2.710   31235 /
PLOG /  1.00E+02  3.62E+36   -6.790   42690 /
PLOG /  1.00E+02  1.25E+19   -1.970   30791 /
C4H72-1OH+H=PC4H8OH-3                                  2.50E+11    0.510    2620 !REF HENRY H ADDITION TO C3H6 TO PRODUCE NC3H7
PC4H8OH-3=CH2O+NC3H7                                   1.81E+33   -7.100   32261 !REF: ZHANG, KLIPPENSTEIN, AND LAW, 2013., THE JOURNAL OF PHYSICAL CHEMISTRY A, 117(9), PP.1890-1906. SAGGESE1@LLNL.GOV 
PLOG /  1.30E-03  4.52E+41  -10.300   31685 /
PLOG /  1.30E-03  1.20E+20   -3.700   27510 /
PLOG /  1.30E-02  2.56E+35   -8.200   29796 /
PLOG /  1.30E-02  1.82E+17   -2.730   26732 /
PLOG /  1.30E-01  5.83E+37   -8.630   33072 /
PLOG /  1.30E-01  2.29E+15   -2.090   23442 /
PLOG /  1.00E+00  1.81E+33   -7.100   32261 /
PLOG /  1.00E+00  1.23E+16   -2.160   24741 /
PLOG /  1.00E+01  7.17E+32   -6.790   33548 /
PLOG /  1.00E+01  7.30E+16   -2.160   26708 /
PLOG /  1.00E+02  1.59E+24   -4.010   30983 /

!DONG 0603!C3H6+CH2OH<=>PC4H8OH-4                            +7.00000000E+003 +2.42680730E+000 +7.06351430E+003 !\Author: WARNING !\Ref: J. ZA DOR, J.A. MILLER / PROCEEDINGS OF THE COMBUSTION INSTITUTE 34(2013) 519 C526 !\Comment: WARNING 
!DONG 0603!C4H71-4OH+H<=>PC4H8OH-4                           +1.50000000E+011 +8.82811620E-001 +2.75062940E+003 !\Author: WARNING !\Ref: J. ZA DOR, J.A. MILLER / PROCEEDINGS OF THE COMBUSTION INSTITUTE 34(2013) 519 C526 !\Comment: WARNING 
PC4H8OH-4=C2H4+PC2H4OH                                 4.76E+09    0.930   28477 !REF: ZHANG, KLIPPENSTEIN, AND LAW, 2013., THE JOURNAL OF PHYSICAL CHEMISTRY A, 117(9), PP.1890-1906. SAGGESE1@LLNL.GOV
PLOG /  1.30E-03  1.40E+47  -12.760   36350 /
PLOG /  1.30E-03  1.33E+06    0.200   23932 /
PLOG /  1.30E-02  1.04E+51  -13.290   38108 /
PLOG /  1.30E-02  2.43E+14   -1.770   26775 /
PLOG /  1.30E-01  1.79E+38   -8.520   36333 /
PLOG /  1.30E-01  9.88E+13   -1.230   27475 /
PLOG /  1.00E+00  5.82E+54  -13.010   47366 /
PLOG /  1.00E+00  6.06E+21   -3.180   31155 /
PLOG /  1.00E+01  8.32E+39   -8.150   43667 /
PLOG /  1.00E+01  4.04E+18   -2.070   30584 /
PLOG /  1.00E+02  8.19E+27   -4.400   39473 /
PLOG /  1.00E+02  7.02E+17   -1.790   30494 /
PC4H8OH-4=CH2O+NC3H7                                   7.78E+32   -6.840   24580 !REF: ZHANG, KLIPPENSTEIN, AND LAW, 2013., THE JOURNAL OF PHYSICAL CHEMISTRY A, 117(9), PP.1890-1906. SAGGESE1@LLNL.GOV 
PLOG /  1.30E-03  1.13E+43  -10.790   25022 /
PLOG /  1.30E-03  4.43E+98  -25.950   72605 /
PLOG /  1.30E-02  2.14E+38   -8.970   24243 /
PLOG /  1.30E-02  1.50E+74  -18.290   64920 /
PLOG /  1.30E-01  7.17E+34   -7.640   23965 /
PLOG /  1.30E-01  7.34E+26   -4.790   32172 /
PLOG /  1.00E+00  7.78E+32   -6.840   24580 /
PLOG /  1.00E+00  1.02E+40   -8.120   49965 /
PLOG /  1.00E+01  5.61E+33   -6.930   27059 /
PLOG /  1.00E+01  1.58E+13   -0.920   19210 /
PLOG /  1.00E+02  1.15E+31   -5.950   28878 /
PLOG /  1.00E+02  1.05E+14   -1.070   20880 /
PC4H8OH-4=C2H3OH+C2H5                                  1.43E+55  -12.870   49018 !REF: ZHANG, KLIPPENSTEIN, AND LAW, 2013., THE JOURNAL OF PHYSICAL CHEMISTRY A, 117(9), PP.1890-1906. SAGGESE1@LLNL.GOV 
PLOG /  1.30E-03  2.55E+34   -7.930   30456 /
PLOG /  1.30E-03  7.82E+22   -3.250   47130 /
PLOG /  1.30E-02  1.84E+35   -7.770   32672 /
PLOG /  1.30E-02  5.65E+21   -2.870   48020 /
PLOG /  1.30E-01  5.54E+65  -16.520   49755 /
PLOG /  1.30E-01  6.61E+24   -4.300   31016 /
PLOG /  1.00E+00  1.43E+55  -12.870   49018 /
PLOG /  1.00E+00  1.05E+18   -2.190   30030 /
PLOG /  1.00E+01  1.94E+46   -9.900   49557 /
PLOG /  1.00E+01  3.92E+13   -0.950   29537 /
PLOG /  1.00E+02  3.99E+09    0.500   30666 /
PLOG /  1.00E+02  3.16E+53  -11.660   60690 /

!DONG 0603, DUP!NC3H7CHO+H<=>PC4H9O                               +4.70000000E+009 +1.43469380E+000 +4.35789010E+003 !\Author: WARNING !\Ref: J. ZA DOR, J.A. MILLER / PROCEEDINGS OF THE COMBUSTION INSTITUTE 34(2013) 519 C526 !\Comment: WARNING 
!DONG 0603, DUP!NC3H7+CH2O<=>PC4H9O                               +5.00000000E+003 +2.42516350E+000 +3.23889520E+003 !\Author: WARNING !\Ref: J. ZA DOR, J.A. MILLER / PROCEEDINGS OF THE COMBUSTION INSTITUTE 34(2013) 519 C526 !\Comment: WARNING 
PC4H9O=CH2O+NC3H7                                      2.01E+12    0.470   15167 !REF: ZHANG, KLIPPENSTEIN, AND LAW, 2013., THE JOURNAL OF PHYSICAL CHEMISTRY A, 117(9), PP.1890-1906. SAGGESE1@LLNL.GOV
PLOG /  1.30E-03  1.56E+22   -2.910   20998 /
PLOG /  1.30E-02  1.01E+20   -3.070   16705 /
PLOG /  1.30E-01  5.09E+22   -3.850   15721 /
PLOG /  1.00E+00  6.72E+34   -7.460   19332 /
PLOG /  1.00E+01  1.48E+30   -5.620   19026 /
PLOG /  1.00E+02  1.03E+23   -3.110   17691 /
PC4H9O=H+NC3H7CHO                                      5.31E+13    0.090   23565 !REF: ZHANG, KLIPPENSTEIN, AND LAW, 2013., THE JOURNAL OF PHYSICAL CHEMISTRY A, 117(9), PP.1890-1906. SAGGESE1@LLNL.GOV
PLOG /  1.30E-03  3.13E+20   -2.940   25719 /
PLOG /  1.30E-02  1.05E+19   -3.070   22429 /
PLOG /  1.30E-01  2.15E-16    8.320   12034 /
PLOG /  1.00E+00  2.05E+35   -8.220   23916 /
PLOG /  1.00E+01  3.40E+34   -7.380   24976 /
PLOG /  1.00E+02  8.56E+33   -6.710   26653 /
PLOG /  1.00E+02  1.40E+01   -2.740   -4696 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ISOMERISATION
!___________________________________________________________________________________________________________ 

PC4H8OH-2=PC4H9O                                       2.50E+04    2.000   27814 !REF: ZHANG, KLIPPENSTEIN, AND LAW, 2013., THE JOURNAL OF PHYSICAL CHEMISTRY A, 117(9), PP.1890-1906. SAGGESE1@LLNL.GOV
PLOG /  1.30E-03  4.84E+35  -11.960   22533 /
PLOG /  1.30E-02  1.19E+35  -11.150   23970 /
PLOG /  1.30E-01  1.27E-41   14.360    5318 /
PLOG /  1.00E+00  1.59E-18    7.290   12705 /
PLOG /  1.00E+01  5.82E+07   -0.210   22972 /
PLOG /  1.00E+01  4.67E-10    0.110       0 /
PLOG /  1.00E+02  1.29E+15   -1.990   27669 /
PLOG /  1.00E+02  5.91E-10    0.100       0 /
PC4H8OH-1=PC4H9O                                       6.91E+16   -2.520   27702 !REF: ZHANG, KLIPPENSTEIN, AND LAW, 2013., THE JOURNAL OF PHYSICAL CHEMISTRY A, 117(9), PP.1890-1906. SAGGESE1@LLNL.GOV
PLOG /  1.30E-03  3.54E+35   -9.410   28014 /
PLOG /  1.30E-02  4.31E+34   -8.850   29206 /
PLOG /  1.30E-01  2.81E-02    3.260   20848 /
PLOG /  1.00E+00  6.91E+16   -2.520   27702 /
PLOG /  1.00E+01  2.75E+61  -16.180   47026 /
PLOG /  1.00E+01  2.12E-01    0.120   14443 /
PLOG /  1.00E+02  6.12E+18   -2.640   33382 /
PLOG /  1.00E+02  2.55E-23   -2.330  -23985 /
PC4H8OH-3=PC4H9O                                       5.95E+03    1.260   16911 !REF: ZHANG, KLIPPENSTEIN, AND LAW, 2013., THE JOURNAL OF PHYSICAL CHEMISTRY A, 117(9), PP.1890-1906. SAGGESE1@LLNL.GOV
PLOG /  1.30E-03  2.52E+37  -11.430   21426 /
PLOG /  1.30E-02  8.50E+37  -11.320   21803 /
PLOG /  1.30E-01  2.19E-10    5.240   12193 /
PLOG /  1.00E+00  5.95E+03    1.260   16911 /
PLOG /  1.00E+01  1.25E+25   -5.180   24920 /
PLOG /  1.00E+01  1.14E-06    0.110       0 /
PLOG /  1.00E+02  1.10E+21   -3.600   25015 /
PLOG /  1.00E+02  1.44E-42   14.640       0 /
PC4H8OH-3=PC4H8OH-4                                    2.12E+44   -9.680   67637 !REF: ZHANG, KLIPPENSTEIN, AND LAW, 2013., THE JOURNAL OF PHYSICAL CHEMISTRY A, 117(9), PP.1890-1906. SAGGESE1@LLNL.GOV
PLOG /  1.30E-03  1.14E+11   -1.930   16501 /
PLOG /  1.30E-03  4.94E+48  -13.570   29802 /
PLOG /  1.30E-02  3.48E+13   -2.390   18263 /
PLOG /  1.30E-02  1.54E+45  -12.120   29663 /
PLOG /  1.30E-01  3.03E+04    0.490   16251 /
PLOG /  1.30E-01  3.20E+33   -8.150   26835 /
PLOG /  1.00E+00  2.12E+44   -9.680   67637 /
PLOG /  1.00E+00  2.07E+25   -5.370   25370 /
PLOG /  1.00E+01  1.47E+01    2.180   17447 /
PLOG /  1.00E+02  1.53E+30   -5.530   42827 /
PLOG /  1.00E+02  2.97E+56  -15.110   38929 /
PC4H9O=PC4H8OH-4                                       1.82E+07    0.740    5004 !REF: ZHANG, KLIPPENSTEIN, AND LAW, 2013., THE JOURNAL OF PHYSICAL CHEMISTRY A, 117(9), PP.1890-1906. SAGGESE1@LLNL.GOV
PLOG /  1.30E-03  1.58E-10    5.660   -1090 /
PLOG /  1.30E-02  2.59E-13    6.960    -873 /
PLOG /  1.30E-01  5.58E+10   -0.570    5373 /
PLOG /  1.00E+00  1.82E+07    0.740    5004 /
PLOG /  1.00E+01  1.16E+08    0.560    5502 /
PLOG /  1.00E+02  6.33E+06    1.030    5358 /
PC4H8OH-4=PC4H8OH-1                                    1.35E+41   -9.430   30934 !REF: ZHANG, KLIPPENSTEIN, AND LAW, 2013., THE JOURNAL OF PHYSICAL CHEMISTRY A, 117(9), PP.1890-1906. SAGGESE1@LLNL.GOV
PLOG /  1.30E-03  3.61E+38   -9.900   22560 /
PLOG /  1.30E-03  6.79E-01   -1.540   -2936 /
PLOG /  1.30E-02  4.75E+50  -13.130   30033 /
PLOG /  1.30E-02  1.37E+23   -5.510   15403 /
PLOG /  1.30E-01  1.36E+43  -10.370   29380 /
PLOG /  1.30E-01  2.46E+53  -15.600   22622 /
PLOG /  1.00E+00  1.35E+41   -9.430   30934 /
PLOG /  1.00E+00  2.17E+02    1.670   11242 /
PLOG /  1.00E+01  3.83E+34   -7.220   29813 /
PLOG /  1.00E+01  1.72E-01    2.700   10494 /
PLOG /  1.00E+02  5.31E+24   -4.140   26258 /
PLOG /  1.00E+02  9.86E+03    1.130   11691 /

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 

PC4H8OH-1+O2=NC3H7CHO+HO2                              3.78E+20   -2.429    3090 !DA SILVA J. PHYS. CHEM. A 2009, 113, 8923
PLOG /  1.00E-03  5.26E+17   -1.637     838 /
PLOG /  1.00E-02  5.26E+17   -1.637     838 /
PLOG /  1.00E-01  5.26E+17   -1.637     838 /
PLOG /  1.00E+00  5.28E+17   -1.638     839 /
PLOG /  1.00E+01  1.54E+18   -1.771    1120 /
PLOG /  1.00E+02  3.78E+20   -2.429    3090 /
PC4H8OH-1+O2=PC4H8OH-1O2                               1.00E+00    0.000       0 !WAGNON1@LLNL.GOV! AS SC2H4OH+O2=CC(O[O])O DA SILVA J.PHYS.CHEM.A 113 (2009) 8923-8933
PLOG /  1.00E-03  1.71E+53  -18.150    7140 /
PLOG /  1.00E-02  2.48E+77  -25.358   15100 /
PLOG /  1.00E-01 8.29E+102  -33.022   20630 /
PLOG /  1.00E+00 5.63E+109  -34.200   21190 /
PLOG /  1.00E+01  8.48E+94  -27.983   18390 /
PLOG /  1.00E+02  8.17E+87  -25.058   17750 /
PC4H8OH-3+O2=PC4H8OH-3O2                               3.49E+14   -0.816    -536 !SECONDARY - CARB_RATE_RULE_MIYOSHI_TABLE IV_J PHYS. CHEM., A 2011,115,3301-3325
PC4H8OH-4+O2=PC4H8OH-4O2                               6.87E+16   -1.627     199 !PRIMARY - CARB_RATE_RULE_MIYOSHI_TABLE IV_J PHYS. CHEM., A 2011,115,3301-3325

PC4H8OH-2+O2<=>PC4H8OH-2O2                        +3.48700000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: JB !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
PC4H8OH-1+HO2=PC4H8OH-1O+OH                            1.00E+12    0.269    -688 !! CH3+HO2=CH3O+OH 
PC4H8OH-2+HO2=PC4H8OH-2O+OH                            1.00E+12    0.269    -688 !! CH3+HO2=CH3O+OH 
PC4H8OH-3+HO2=PC4H8OH-3O+OH                            1.00E+12    0.269    -688 !! CH3+HO2=CH3O+OH 
PC4H8OH-4+HO2=PC4H8OH-4O+OH                            1.00E+12    0.269    -688 !! CH3+HO2=CH3O+OH 
PC4H8OH-1+CH3O2=PC4H8OH-1O+CH3O                        5.00E+11    0.268    -688 !! 
PC4H8OH-2+CH3O2=PC4H8OH-2O+CH3O                        5.00E+11    0.268    -688 !! 
PC4H8OH-3+CH3O2=PC4H8OH-3O+CH3O                        5.00E+11    0.268    -688 !! 
PC4H8OH-4+CH3O2=PC4H8OH-4O+CH3O                        5.00E+11    0.268    -688 !! 

PC4H8OH-1+PC4H8OH-1O2=PC4H8OH-1O+PC4H8OH-1O            5.00E+11    0.268    -688 
PC4H8OH-1+PC4H8OH-2O2=PC4H8OH-1O+PC4H8OH-2O            5.00E+11    0.268    -688 
PC4H8OH-1+PC4H8OH-3O2=PC4H8OH-1O+PC4H8OH-3O            5.00E+11    0.268    -688 
PC4H8OH-1+PC4H8OH-4O2=PC4H8OH-1O+PC4H8OH-4O            5.00E+11    0.268    -688 
PC4H8OH-2+PC4H8OH-1O2=PC4H8OH-2O+PC4H8OH-1O            5.00E+11    0.268    -688 
PC4H8OH-2+PC4H8OH-2O2=PC4H8OH-2O+PC4H8OH-2O            5.00E+11    0.268    -688 
PC4H8OH-2+PC4H8OH-3O2=PC4H8OH-2O+PC4H8OH-3O            5.00E+11    0.268    -688 
PC4H8OH-2+PC4H8OH-4O2=PC4H8OH-2O+PC4H8OH-4O            5.00E+11    0.268    -688 
PC4H8OH-3+PC4H8OH-1O2=PC4H8OH-3O+PC4H8OH-1O            5.00E+11    0.268    -688 
PC4H8OH-3+PC4H8OH-2O2=PC4H8OH-3O+PC4H8OH-2O            5.00E+11    0.268    -688 
PC4H8OH-3+PC4H8OH-3O2=PC4H8OH-3O+PC4H8OH-3O            5.00E+11    0.268    -688 
PC4H8OH-3+PC4H8OH-4O2=PC4H8OH-3O+PC4H8OH-4O            5.00E+11    0.268    -688 
PC4H8OH-4+PC4H8OH-1O2=PC4H8OH-4O+PC4H8OH-1O            5.00E+11    0.268    -688 
PC4H8OH-4+PC4H8OH-2O2=PC4H8OH-4O+PC4H8OH-2O            5.00E+11    0.268    -688 
PC4H8OH-4+PC4H8OH-3O2=PC4H8OH-4O+PC4H8OH-3O            5.00E+11    0.268    -688 
PC4H8OH-4+PC4H8OH-4O2=PC4H8OH-4O+PC4H8OH-4O            5.00E+11    0.268    -688 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>QOOH
!___________________________________________________________________________________________________________ 

PC4H8OH-1O2=C4H7OH-1OOH-2                              1.92E+07    1.530   28600 !A*2(DEG) 4S VILLANO VOL.115 JPC 2011 SAGGESE1@LLNL.GOV
PC4H8OH-1O2=C4H7OH-1OOH-3                              9.34E+07    1.080   18600 !A*2(DEG) 5S VILLANO VOL.115 JPC 2011 SAGGESE1@LLNL.GOV

PC4H8OH-2O2<=>SQC4H8OP                            +2.61000000E+010 +2.90000000E-001 +2.03780000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
SQC4H8OP=>C2H5CHO+CH2O+OH                         +1.99000000E+019 -1.50000000E+000 +1.08200000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
PC4H8OH-2O2<=>SQC4H7OHP-1                         +1.76000000E+003 +2.69000000E+000 +2.14980000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
PC4H8OH-2O2<=>SQC4H7OHP-3                         +2.77000000E-001 +3.77000000E+000 +2.39920000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
PC4H8OH-2O2<=>SQC4H7OHP-4                         +6.23000000E+003 +2.35000000E+000 +1.84300000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 

!DONG 0603!PC4H8OH-2O2=>C2H5CHO+CH2O+OH                           2.50E+10    0.000   21886 ! WADDINGTON MECH RATE
!DONG 0603!PC4H8OH-2O2=C4H7OH-2OOH-3                              2.77E-01    3.770   23992 !4S, TABLE S3C - LIZARDO-HUERTA PCCP 18 (2016) 12231-12251, SAGGESE1@LLNL.GOV
!DONG 0603!PC4H8OH-2O2=C4H7OH-2OOH-1                              1.52E+03    2.640   22082 !4T, ALPHA (TERTIARY C), TABLE S3C - LIZARDO-HUERTA PCCP 18 (2016) 12231-12251, SAGGESE1@LLNL.GOV

PC4H8OH-3O2=C4H7OH-3OOH-1                              4.77E+06    1.350   13588 !5T, ALPHA (TERTIARY C), TABLE S3A - LIZARDO-HUERTA PCCP 18 (2016) 12231-12251, SAGGESE1@LLNL.GOV
PC4H8OH-3O2=C4H7OH-3OOH-4                              6.51E+06    1.730   32000 !4P - RATE RULE*3 - VILLANO VOL.115 JPC 2011 SAGGESE1@LLNL.GOV
PC4H8OH-3O2=C4H7OH-3OOH-2                              9.56E+07    1.360   28600 !4S - RATE RULE*2 - VILLANO VOL.115 JPC 2011 SAGGESE1@LLNL.GOV
PC4H8OH-4O2=C4H7OH-4OOH-3                              1.92E+07    1.530   28600 !A*2(DEG) 4S VILLANO VOL.115 JPC 2011 SAGGESE1@LLNL.GOV
PC4H8OH-4O2=C4H7OH-4OOH-2                              9.34E+07    1.080   18600 !A*2(DEG) 5S VILLANO VOL.115 JPC 2011 SAGGESE1@LLNL.GOV
PC4H8OH-4O2=C4H7OH-4OOH-1                              9.76E+05    1.400   20500 !A*2(DEG) 6P, ALPHA, VILLANO VOL.115 JPC 2011 SAGGESE1@LLNL.GOV
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: HO2_ELIMINATION_FROM_RO2
!___________________________________________________________________________________________________________ 
PC4H8OH-2O2<=>C4H71-1OH+HO2                       +2.07000000E+013 +0.00000000E+000 +3.29990000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
PC4H8OH-2O2<=>C4H72-1OH+HO2                       +3.15000000E+007 +1.58000000E+000 +2.87440000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 

PC4H8OH-1O2=C4H71-1OH+HO2                              1.26E+08    1.380   28900 !A*2(DEG) TABLE 4, VILLANO VOL.115 JPC 2011 SAGGESE1@LLNL.GOV
PC4H8OH-3O2=HO2+C4H72-1OH                              3.15E+07    1.580   28744 !S, TABLE S3D, LIZARDO-HUERTA PCCP 18 (2016) 12231-12251, SAGGESE1@LLNL.GOV
PC4H8OH-3O2=C4H71-4OH+HO2                              3.86E+07    1.480   29631 !P, TABLE S3D, LIZARDO-HUERTA PCCP 18 (2016) 12231-12251, SAGGESE1@LLNL.GOV
PC4H8OH-4O2=HO2+C4H71-4OH                              1.26E+08    1.380   28900 !A*2(DEG) TABLE 4, VILLANO VOL.115 JPC 2011 SAGGESE1@LLNL.GOV
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2+RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 

PC4H8OH-2O2+HO2=PC4H8OH-2O2H+O2                        1.75E+10    0.000   -3275 !
PC4H8OH-4O2+HO2=PC4H8OH-4O2H+O2                        1.75E+10    0.000   -3275 !
PC4H8OH-2O2+H2O2=PC4H8OH-2O2H+HO2                      2.40E+12    0.000   10000 !
PC4H8OH-4O2+H2O2=PC4H8OH-4O2H+HO2                      2.40E+12    0.000   10000 !
PC4H8OH-1O2+CH3O2=>PC4H8OH-1O+CH3O+O2                  1.40E+16   -1.610    1860 !
PC4H8OH-2O2+CH3O2=>PC4H8OH-2O+CH3O+O2                  1.40E+16   -1.610    1860 !
PC4H8OH-3O2+CH3O2=>PC4H8OH-3O+CH3O+O2                  1.40E+16   -1.610    1860 !
PC4H8OH-4O2+CH3O2=>PC4H8OH-4O+CH3O+O2                  1.40E+16   -1.610    1860 !
PC4H8OH-1O2+PC4H8OH-1O2=>PC4H8OH-1O+PC4H8OH-1O+O2      1.40E+16   -1.610    1860 !
PC4H8OH-1O2+PC4H8OH-2O2=>PC4H8OH-1O+PC4H8OH-2O+O2      1.40E+16   -1.610    1860 !
PC4H8OH-1O2+PC4H8OH-3O2=>PC4H8OH-1O+PC4H8OH-3O+O2      1.40E+16   -1.610    1860 !
PC4H8OH-1O2+PC4H8OH-4O2=>PC4H8OH-1O+PC4H8OH-4O+O2      1.40E+16   -1.610    1860 !
PC4H8OH-2O2+PC4H8OH-2O2=>PC4H8OH-2O+PC4H8OH-2O+O2      1.40E+16   -1.610    1860 !
PC4H8OH-2O2+PC4H8OH-3O2=>PC4H8OH-2O+PC4H8OH-3O+O2      1.40E+16   -1.610    1860 !
PC4H8OH-2O2+PC4H8OH-4O2=>PC4H8OH-2O+PC4H8OH-4O+O2      1.40E+16   -1.610    1860 !
PC4H8OH-3O2+PC4H8OH-3O2=>PC4H8OH-3O+PC4H8OH-3O+O2      1.40E+16   -1.610    1860 !
PC4H8OH-3O2+PC4H8OH-4O2=>PC4H8OH-3O+PC4H8OH-4O+O2      1.40E+16   -1.610    1860 !
PC4H8OH-4O2+PC4H8OH-4O2=>PC4H8OH-4O+PC4H8OH-4O+O2      1.40E+16   -1.610    1860 !

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: HOQOOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 

PC4H8OH-2O2H=>PC4H8OH-2O+OH                            1.50E+16    0.000   43000 !SAGGESE1@LLNL.GOV!
PC4H8OH-4O2H=>PC4H8OH-4O+OH                            1.50E+16    0.000   43000 !SAGGESE1@LLNL.GOV!
HOCHO+NC3H7=PC4H8OH-1O                                 1.00E+11    0.000   11900 !
C2H5CHO+CH2OH=PC4H8OH-2O                               1.00E+11    0.000   11900 !
CH3CHO+PC2H4OH=PC4H8OH-3O                              1.00E+11    0.000   11900 !
CH2O+C3H6OH1-1=PC4H8OH-4O                              1.00E+11    0.000   11900 !
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 

SQC4H7OHP-1<=>C4H71-1OH+HO2                       +5.22000000E+014 -2.40000000E-001 +1.66580000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
SQC4H7OHP-3<=>C4H72-1OH+HO2                       +1.97000000E+010 +7.40000000E-001 +1.42800000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
PQC4H7OHS-2<=>C4H71-2OH+HO2                       +5.46000000E+010 +9.20000000E-001 +1.48810000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
SQC4H7OHP-4=>HOCH2CHO+C2H4+OH                     +3.08100000E+013 +0.00000000E+000 +2.56387900E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
PQC4H7OHS-3=>CH2O+SC3H5OH+OH                      +3.08100000E+013 +0.00000000E+000 +2.62530600E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 

C4H7OH-1OOH-2=>C4H7OH1O1-2+OH                         1.71E+09    1.060   10900 !VILLANO 3M TABLE 3 JPC 2012, SAGGESE1@LLNL.GOV
C4H7OH-1OOH-3=>C4H7OHCYO1-3+OH                         1.67E+11   -0.090   16142 !4M RING, TABLE S3E, LIZARDO-HUERTA PCCP 18 (2016) 12231-12251, SAGGESE1@LLNL.GOV
!DONG 0603, DUP!SQC4H7OHP-1=>C4H7OH1O1-2+OH                         1.71E+09    1.060   10900 !VILLANO 3M TABLE 3 JPC 2012, SAGGESE1@LLNL.GOV
!DONG 0603, DUP!SQC4H7OHP-3=>C4H7OH1O2-3+OH                         1.71E+09    1.060   10900 !VILLANO 3M TABLE 3 JPC 2012, SAGGESE1@LLNL.GOV
C4H7OH-3OOH-1=>C4H7OHCYO1-3+OH                         1.67E+11   -0.090   16142 !4M RING, TABLE S3E, LIZARDO-HUERTA PCCP 18 (2016) 12231-12251, SAGGESE1@LLNL.GOV
C4H7OH-3OOH-2=>C4H7OH1O2-3+OH                         1.71E+09    1.060   10900 !VILLANO 3M TABLE 3 JPC 2012, SAGGESE1@LLNL.GOV
C4H7OH-3OOH-4=>C4H7OHCYO3-4+OH                         1.71E+09    1.060   10900 !VILLANO 3M TABLE 3 JPC 2012, SAGGESE1@LLNL.GOV
C4H7OH-4OOH-1=>C4H7OHCYO1-4+OH                         1.72E+08    0.760   11100 !5M RING, TABLE 3, VILLANO JPC 116 (2012) 5068-5089, SAGGESE1@LLNL.GOV
C4H7OH-4OOH-2=>CY(CCCO)COH+OH                          1.67E+11   -0.090   16142 !4M RING, TABLE S3E, LIZARDO-HUERTA PCCP 18 (2016) 12231-12251, SAGGESE1@LLNL.GOV
C4H7OH-4OOH-3=>C4H7OHCYO3-4+OH                         1.71E+09    1.060   10900 !VILLANO 3M TABLE 3 JPC 2012, SAGGESE1@LLNL.GOV
C4H7OH-1OOH-2=C4H71-1OH+HO2                            1.97E+10    0.740   14280 !TABLE S3G, LIZARDO-HUERTA PCCP 18 (2016) 12231-12251, SAGGESE1@LLNL.GOV
!DONG 0603, DUP!SQC4H7OHP-1=C4H71-1OH+HO2                            1.97E+10    0.740   14280 !TABLE S3G, LIZARDO-HUERTA PCCP 18 (2016) 12231-12251, SAGGESE1@LLNL.GOV
!DONG 0603, DUP!SQC4H7OHP-3=C4H72-1OH+HO2                            1.97E+10    0.740   14280 !TABLE S3G, LIZARDO-HUERTA PCCP 18 (2016) 12231-12251, SAGGESE1@LLNL.GOV
C4H7OH-3OOH-2=C4H72-1OH+HO2                            1.97E+10    0.740   14280 !TABLE S3G, LIZARDO-HUERTA PCCP 18 (2016) 12231-12251, SAGGESE1@LLNL.GOV
C4H7OH-3OOH-4=C4H71-4OH+HO2                            1.97E+10    0.740   14280 !TABLE S3G, LIZARDO-HUERTA PCCP 18 (2016) 12231-12251, SAGGESE1@LLNL.GOV
C4H7OH-4OOH-3=C4H71-4OH+HO2                            1.97E+10    0.740   14280 !TABLE S3G, LIZARDO-HUERTA PCCP 18 (2016) 12231-12251, SAGGESE1@LLNL.GOV
C4H7OH-1OOH-3=>OH+HOCHO+C3H6                           1.23E+09    1.300   24900 !TABLE 5, VILLANO JPC 116 (2012) 5068-5089, SAGGESE1@LLNL.GOV  
C4H7OH-3OOH-1=>OH+CH3CHO+C2H3OH                        1.23E+09    1.300   24900 !TABLE 5, VILLANO JPC 116 (2012) 5068-5089, SAGGESE1@LLNL.GOV  
C4H7OH-4OOH-2=>OH+CH2O+C3H5OH                          1.23E+09    1.300   24900 !TABLE 5, VILLANO JPC 116 (2012) 5068-5089, SAGGESE1@LLNL.GOV  

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH<=>CYCETH+OH
!___________________________________________________________________________________________________________ 
SQC4H7OHP-1<=>C4H7OH1O1-2+OH                      +3.90000000E+012 +2.00000000E-002 +9.53200000E+003 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
SQC4H7OHP-3<=>C4H7OH1O2-3+OH                      +2.76000000E+009 +1.01000000E+000 +8.03100000E+003 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
SQC4H7OHP-4<=>CY(CCCO)COH+OH                      +1.67000000E+011 -9.00000000E-002 +1.61420000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
PQC4H7OHS-2<=>C4H7OH2O1-2+OH                      +8.62000000E+010 +5.60000000E-001 +9.18400000E+003 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
PQC4H7OHS-3<=>CCY(COCC)OH+OH                      +6.83000000E+013 -5.90000000E-001 +1.84100000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
PQC4H7OHS-4<=>C4H7OH2O1-4+OH                      +1.93000000E+012 -4.20000000E-001 +1.26890000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: CYCETHDECOMPOSITIONS
!___________________________________________________________________________________________________________ 
C4H7OH1O1-2+OH=>H2O+CHOCHO+C2H5                   +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C4H7OH1O2-3+OH=>H2O+CH3CHCO+CH2OH                 +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
CY(CCCO)COH+OH=>H2O+HCO+C3H5OH                    +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C4H7OH2O1-2+OH=>H2O+CH3+CH2COHCHO                 +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
CCY(COCC)OH+OH=>H2O+CH3CO+C2H3OH                  +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C4H7OH2O1-4+OH=>H2O+CH2CHO+C2H3OH                 +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
CCY(COC)OHC+OH=>H2O+CH3+CH3COHCO                  +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C4H7OH1O1-2+HO2=>H2O2+CHOCHO+C2H5                 +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C4H7OH1O2-3+HO2=>H2O2+CH3CHCO+CH2OH               +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
CY(CCCO)COH+HO2=>H2O2+HCO+C3H5OH                  +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C4H7OH2O1-2+HO2=>H2O2+CH3+CH2COHCHO               +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
CCY(COCC)OH+HO2=>H2O2+CH3CO+C2H3OH                +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C4H7OH2O1-4+HO2=>H2O2+CH2CHO+C2H3OH               +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
CCY(COC)OHC+HO2=>H2O2+CH3+CH3COHCO                +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 

C4H7OH1O1-2+OH=>C3H5-S+HOCHO+H2O                      2.50E+12    0.000       0 !
C4H7OHCYO1-3+OH=>C3H5-A+HOCHO+H2O                      2.50E+12    0.000       0 !
C4H7OHCYO1-4+OH=>C3H5-A+HOCHO+H2O                      2.50E+12    0.000       0 !
C4H7OH1O2-3+OH=>C2H3CHO+CH2OH+H2O                     2.50E+12    0.000       0 !
CY(CCCO)COH+OH=>C2H3CHO+CH2OH+H2O                      2.50E+12    0.000       0 !
C4H7OHCYO3-4+OH=>PC2H4OH+CH2CO+H2O                     2.50E+12    0.000       0 !
C4H7OH1O1-2+HO2=>C3H5-S+HOCHO+H2O2                    5.00E+12    0.000   17700 !
C4H7OHCYO1-3+HO2=>C3H5-A+HOCHO+H2O2                    5.00E+12    0.000   17700 !
C4H7OHCYO1-4+HO2=>C3H5-A+HOCHO+H2O2                    5.00E+12    0.000   17700 !
C4H7OH1O2-3+HO2=>C2H3CHO+CH2OH+H2O2                   5.00E+12    0.000   17700 !
CY(CCCO)COH+HO2=>C2H3CHO+CH2OH+H2O2                    5.00E+12    0.000   17700 !
C4H7OHCYO3-4+HO2=>PC2H4OH+CH2CO+H2O2                   5.00E+12    0.000   17700 !
HOCH2CHO+CH3O=HOCH2CO+CH3OH                            1.15E+11    0.000    1280 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH+O2<=>O2QOOH
!___________________________________________________________________________________________________________ 
SQC4H7OHP-3+O2<=>SQC4H7OHP-3O2                    +1.22000000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
SQC4H7OHP-4+O2<=>SQC4H7OHP-4O2                    +2.40200000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PQC4H7OHS-3+O2<=>PQC4H7OHS-3O2                    +1.22000000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PQC4H7OHS-4+O2<=>PQC4H7OHS-4O2                    +2.40200000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!DONG 220619!SQC4H7OHP-3+O2<=>SQC4H7OHP-3O2                    +1.74300000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 220619!SQC4H7OHP-4+O2<=>SQC4H7OHP-4O2                    +3.43100000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 220619!PQC4H7OHS-3+O2<=>PQC4H7OHS-3O2                    +1.74300000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 220619!PQC4H7OHS-4+O2<=>PQC4H7OHS-4O2                    +3.43100000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

C4H7OH-1OOH-2+O2=C4H7OH-1OOH-2O2                       1.75E+14   -0.816    -536 !A*0.5 SECONDARY - CARB_RATE_RULE_MIYOSHI_TABLE 3_J PHYS. CHEM., A 2011,115,3301-3325 
C4H7OH-1OOH-3+O2=C4H7OH-1OOH-3O2                       1.75E+14   -0.816    -536 !A*0.5 SECONDARY - CARB_RATE_RULE_MIYOSHI_TABLE 3_J PHYS. CHEM., A 2011,115,3301-3325 
SQC4H7OHP-1+O2=C4H7OH-2OOH-1O2                       1.00E+00    0.000       0 !WAGNON1@LLNL.GOV! AS SC2H4OH+O2=CC(O[O])O DA SILVA J.PHYS.CHEM.A 113 (2009) 8923-8933
PLOG /  1.00E-03  1.71E+53  -18.150    7140 /
PLOG /  1.00E-02  2.48E+77  -25.358   15100 /
PLOG /  1.00E-01 8.29E+102  -33.022   20630 /
PLOG /  1.00E+00 5.63E+109  -34.200   21190 /
PLOG /  1.00E+01  8.48E+94  -27.983   18390 /
PLOG /  1.00E+02  8.17E+87  -25.058   17750 /
C4H7OH-3OOH-1+O2=C4H7OH-3OOH-1O2                       1.00E+00    0.000       0 !WAGNON1@LLNL.GOV! AS SC2H4OH+O2=CC(O[O])O DA SILVA J.PHYS.CHEM.A 113 (2009) 8923-8933
PLOG /  1.00E-03  1.71E+53  -18.150    7140 /
PLOG /  1.00E-02  2.48E+77  -25.358   15100 /
PLOG /  1.00E-01 8.29E+102  -33.022   20630 /
PLOG /  1.00E+00 5.63E+109  -34.200   21190 /
PLOG /  1.00E+01  8.48E+94  -27.983   18390 /
PLOG /  1.00E+02  8.17E+87  -25.058   17750 /
C4H7OH-4OOH-2+O2=C4H7OH-4OOH-2O2                       1.75E+14   -0.820    -536 !A*0.5 SECONDARY - CARB_RATE_RULE_MIYOSHI_TABLE 3_J PHYS. CHEM., A 2011,115,3301-3325 

SQC4H7OHP-1+O2=NC4KET12+HO2                          3.78E+20   -2.429    3090 !DA SILVA J. PHYS. CHEM. A 2009, 113, 8923
PLOG /  1.00E-03  5.26E+17   -1.637     838 /
PLOG /  1.00E-02  5.26E+17   -1.637     838 /
PLOG /  1.00E-01  5.26E+17   -1.637     838 /
PLOG /  1.00E+00  5.28E+17   -1.638     839 /
PLOG /  1.00E+01  1.54E+18   -1.771    1120 /
PLOG /  1.00E+02  3.78E+20   -2.429    3090 /
C4H7OH-3OOH-1+O2=NC4KET13+HO2                          3.78E+20   -2.429    3090 !DA SILVA J. PHYS. CHEM. A 2009, 113, 8923
PLOG /  1.00E-03  5.26E+17   -1.637     838 /
PLOG /  1.00E-02  5.26E+17   -1.637     838 /
PLOG /  1.00E-01  5.26E+17   -1.637     838 /
PLOG /  1.00E+00  5.28E+17   -1.638     839 /
PLOG /  1.00E+01  1.54E+18   -1.771    1120 /
PLOG /  1.00E+02  3.78E+20   -2.429    3090 /
C4H7OH-4OOH-1+O2=NC4KET14+HO2                          3.78E+20   -2.429    3090 !DA SILVA J. PHYS. CHEM. A 2009, 113, 8923
PLOG /  1.00E-03  5.26E+17   -1.637     838 /
PLOG /  1.00E-02  5.26E+17   -1.637     838 /
PLOG /  1.00E-01  5.26E+17   -1.637     838 /
PLOG /  1.00E+00  5.28E+17   -1.638     839 /
PLOG /  1.00E+01  1.54E+18   -1.771    1120 /
PLOG /  1.00E+02  3.78E+20   -2.429    3090 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: A-HYDROXYPEROXY_RADICAL+O2
!___________________________________________________________________________________________________________ 
!DONG 0603, DUP!SQC4H7OHP-1+O2<=>NC4KET12+HO2                     +1.68300000E+010 +7.61000000E-001 -1.63586000E+003 !\Author: WARNING !\Ref: J. ZADOR ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 271-277 !\Comment: WARNING 
PQC4H7OHS-2+O2<=>NC4KET21+HO2                     +3.36600000E+010 +7.61000000E-001 -1.63586000E+003 !\Author: WARNING !\Ref: J. ZADOR ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 271-277 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: O2QOOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 

C4H7OH-1OOH-2O2=>C2H5CHO+HO2CHO+OH                     2.50E+10    0.000   21886 ! WADDINGTON MECH RATE
C4H7OH-4OOH-2O2=>C3KET13+CH2O+OH                       2.50E+10    0.000   21886 ! WADDINGTON MECH RATE
C4H7OH-1OOH-2O2=>NC4KET12OH-1+OH                       5.25E-01    3.730   20500 !5ST, ALPHA (TERTIARY C), S.Y. MOHAMED, J. PHYS. CHEM. A  122(2018) 3626-3639, SAGGESE1@LLNL.GOV
C4H7OH-1OOH-3O2=>NC4KET13OH-1+OH                       1.75E+02    3.100   17500 !6SS SHARMA 2010, SAGGESE1@LLNL.GOV
!DONG 0603!C4H7OH-1OOH-4O2=>NC4KET14OH-1+OH                       2.54E+02    2.600   16200 !7SS SHARMA 2010, SAGGESE1@LLNL.GOV
C4H7OH-2OOH-1O2=>NC4KET21OH-1+OH                       5.25E-01    3.730   20500 !5ST, ALPHA (TERTIARY C), S.Y. MOHAMED, J. PHYS. CHEM. A  122(2018) 3626-3639, SAGGESE1@LLNL.GOV
C4H7OH-3OOH-1O2=>NC4KET31OH-1+OH                       1.75E+02    3.100   17500 !6SS SHARMA 2010, SAGGESE1@LLNL.GOV
C4H7OH-4OOH-2O2=>NC4KET42OH-1+OH                       9.80E+01    2.980   15600 !A*2(DEG) 6PS, S.Y. MOHAMED, J. PHYS. CHEM. A  122(2018) 3626-3639, SAGGESE1@LLNL.GOV

SQC4H7OHP-3O2<=>C4H6OHOOH1-4-3+HO2                +3.60600000E+009 +1.13000000E+000 +3.06000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
SQC4H7OHP-4O2<=>C4H6OHOOH1-4-3+HO2                +3.87000000E+007 +1.58000000E+000 +2.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PQC4H7OHS-3O2<=>C4H6OHOOH2-2-1+HO2                +6.12000000E+014 -4.70000000E-001 +3.45160000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
PQC4H7OHS-3O2<=>C4H6OHOOH1-3-4+HO2                +3.60600000E+009 +1.13000000E+000 +3.06000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PQC4H7OHS-4O2<=>C4H6OHOOH1-3-4+HO2                +3.87000000E+007 +1.58000000E+000 +2.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
SQC4H7OHP-3O2<=>C4H6OH1KET2-3+OH                  +1.74800000E+008 +1.70000000E+000 +2.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
SQC4H7OHP-4O2<=>NC4KET24OH-1+OH                   +1.75400000E+002 +3.10000000E+000 +1.75000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PQC4H7OHS-3O2<=>NC4KET13OH-2+OH                   +1.09800000E+004 +2.40000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PQC4H7OHS-4O2<=>C4H6OH2KET1-4+OH                  +1.25600000E+003 +2.20000000E+000 +1.74000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

C4H6OH1KET2-3=>CH3CHO+OH+CO+CH2OH                 +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC4KET24OH-1=>CH2O+OH+CH2CO+CH2OH                 +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC4KET13OH-2=>HOCHCHO+CH3CHO+OH                   +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H6OH2KET1-4=>CH2O+C2H3OH+HCO+OH                 +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

NC4KET12OH-1=>OH+OCHO+C2H5CHO                          1.50E+16    0.000   43000 !SAGGESE1@LLNL.GOV, AS ALKANE RATE RULE JASPER 2009 
NC4KET13OH-1=>OH+CH2OCHO+CH3CHO                        1.50E+16    0.000   43000 
!DONG 220428, Lone Reaction Species!NC4KET14OH-1=>OH+C2H4+OCHO+CH2O                        1.50E+16    0.000   43000 
NC4KET21OH-1=>OH+HOCHO+C2H5CO                          1.50E+16    0.000   43000 
!DONG 0603!NC4KET24OH-1=>OH+CH2CO+CH2OH+CH2O                      1.50E+16    0.000   43000 
NC4KET31OH-1=>OH+HOCHO+CH3COCH2                        1.50E+16    0.000   43000 
NC4KET42OH-1=>OH+HOCH2CHO+CH2CHO                       1.50E+16    0.000   43000 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: POOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C4H7O2-1,3OOH=>C3KET12+CH2O+OH                    +5.36000000E+012 -8.00000000E-002 +1.07900000E+004 !\Author: WARNING !\Ref: H. SUN, ET AL., J. PHYS. CHEM. A., 2007, 111, 4974. !\Comment: WARNING 
C4H7O2-1,3OOH=>HO2CH2CHO+CH3CHO+OH                +6.70000000E+039 -8.38000000E+000 +2.27820000E+004 !\Author: WARNING !\Ref: H. SUN, ET AL., J. PHYS. CHEM. A., 2007, 111, 4974. !\Comment: WARNING 
!===========================================================================================================
!\SUBSPECIES: C4H71-1OH\C4H71-2OH\C4H71-4OH\C4H72-1OH\C4H5OH-13
!===========================================================================================================

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 

C4H72-1OH=C4H71-3+OH                                   2.37E+20   -1.189   94340 !
C4H72-1OH=C3H5-A+CH2OH                                 6.64E+19   -1.132   74590 !
C4H71-4OH=C4H71-4+OH                                   2.37E+20   -1.189   94340 !
C4H71-4OH=C2H3+PC2H4OH                                 6.64E+20   -1.132  101000 !WAGNON1@LLNL.GOV! A*10, E=101KCAL/MOL AS SARATHY PROG.ENERGY.COMBUST. 44 (2014) 40-102
C4H71-2OH=C4H71-2+OH                                   5.89E+19   -0.956  110000 !WAGNON1@LLNL.GOV! E=110KCAL/MOL AS SARATHY PROG.ENERGY.COMBUST. 44 (2014) 40-102
C4H71-2OH=C2H5+CH2CHO                                  2.21E+22   -1.576   97520 !
C4H71-1OH=C2H5+CH2CHO                                  2.21E+22   -1.576   97520 !
C4H71-1OH=C4H71-1+OH                                   5.89E+19   -0.956  110000 !WAGNON1@LLNL.GOV! E=110KCAL/MOL AS SARATHY PROG.ENERGY.COMBUST. 44 (2014) 40-102
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: H_ADDITION_PRODUCTS
!___________________________________________________________________________________________________________ 

C4H71-1OH+H=C4H8-1+OH                                  6.26E+13    0.000    4500 !
C4H71-1OH+H=C2H3OH+C2H5                                6.26E+13    0.000    4500 !
C4H71-2OH+H=C4H8-1+OH                                  6.26E+13    0.000    4500 !
C4H71-2OH+H=C2H3OH+C2H5                                6.26E+13    0.000    4500 !
C4H71-4OH+H=C2H4+PC2H4OH                               6.26E+13    0.000    4500 !
C4H72-1OH+H=C3H6+CH2OH                                 6.26E+13    0.000    4500 !
C4H72-1OH+H=C4H8-2+OH                                  6.26E+13    0.000    4500 !
C4H72-1OH+H=SC3H5OH+CH3                                6.26E+13    0.000    4500 !

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C4H71-1OH+OH<=>C4H63,1-1OH+H2O                    +2.02000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: WARNING !\Ref: !ANALOGY WITH C4H8-1+OH !\Comment: WARNING 
C4H71-1OH+HO2<=>C4H63,1-1OH+H2O2                  +3.91000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: WARNING !\Ref: !ANALOGY WITH C4H8-1+OH !\Comment: WARNING 

C4H71-1OH+H=C4H63,1-1OH+H2                             3.38E+05    2.360     207 !
C4H71-1OH+O=C4H63,1-1OH+OH                             9.59E+12    0.000    1967 !
C4H71-1OH+CH3=C4H63,1-1OH+CH4                          3.69E+00    3.310    4002 !
C4H71-1OH+CH3O2=C4H63,1-1OH+CH3O2H                     4.82E+03    2.550   10530 !
C4H71-1OH+CH3O=C4H63,1-1OH+CH3OH                       4.00E+01    2.900    8609 !

C4H71-1OH+HO2=NC3H7CHO+HO2                             1.49E+05    1.670    6810 !
C4H71-1OH+HOCHO=NC3H7CHO+HOCHO                         2.81E-02    3.286   -4509 !
REV /  7.04E+04    1.209     556 /
C4H71-1OH=NC3H7CHO                                     8.59E+11    0.318   55900 !

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 

C4H71-2OH+H<=>C4H63,1-2OH+H2                            +4.53300000E+005 +2.48700000E+000 +2.48324000E+003 !C5H10-1+H<=>C5H91-3+H2\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C4H71-2OH+O<=>C4H63,1-2OH+OH                            +6.47000000E-003 +4.54000000E+000 -4.66980000E+003 !C5H10-1+O<=>C5H91-3+OH\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C4H71-2OH+O2<=>C4H63,1-2OH+HO2                          +6.06000000E+001 +3.45000000E+000 +3.46000000E+004 !C5H10-1+O2<=>C5H91-3+HO2\Author: SD !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C4H71-2OH+OH<=>C4H63,1-2OH+H2O                          +2.02000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: WARNING !\Ref: ANALOGY WITH C4H8-1+OH !\Comment: WARNING 
C4H71-2OH+HO2<=>C4H63,1-2OH+H2O2                        +3.91000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: WARNING !\Ref: ANALOGY WITH C4H8-1+OH !\Comment: WARNING 
C4H71-2OH+CH3<=>C4H63,1-2OH+CH4                         +1.69400000E+002 +3.12000000E+000 +5.78000000E+003 !C5H10-1+CH3<=>C5H91-3+CH4\Author: SD !\Ref: WANG, KUN, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.9(2015) !\Comment: WARNING 
C4H71-2OH+CH3O<=>C4H63,1-2OH+CH3OH                      +2.17000000E+011 +0.00000000E+000 +4.85800000E+003 !C5H10-2+CH3O<=>C5H91-3+CH3OH\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H71-2OH+CH3O2<=>C4H63,1-2OH+CH3O2H                    +7.82000000E-001 +3.97000000E+000 +1.37020000E+004 !C5H10-1+CH3O2<=>C5H91-3+CH3O2H\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 

!C4H6OHOOH1-2-3  !C=C(O)C(OO)C, InChI=1S/C4H8O3/c1-3(5)4(2)7-6/h4-6H,1H2,2H3
!C4H61,3O-2OH    !C=C(O)C([O])C, InChI=1S/C4H7O2/c1-3(5)4(2)6/h4-5H,1H2,2H3

C4H63,1-2OH+HO2<=>C4H6OHOOH1-2-3                      +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: SD !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
!DONG 211117!C4H63,1-2OH+HO2<=>C4H61,3O-2OH+OH                     +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: SD !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
!DONG 211117!C4H61,3O-2OH<=>CH3CHO+CH2CHO                          +8.52000000E+025 -3.61000000E+000 +2.38634000E+004 !\Author: SD !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325-3346 !\Comment: WARNING 

C4H63,1-2OH+O2<=>C4H61-2OH-3O2                        +9.14000000E+002 +2.17900000E+000 -2.20000000E+003 !C5H91-3+O2<=>C5H91-3O2\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C4H61-2OH-3O2<=>C4H61OOH3-2O                          +2.61000000E+010 +2.90000000E-001 +2.03780000E+004 !C5H10OH-2O2<=>C5H10OOH2-1O\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C4H61OOH3-2O=>CH2CO+CH3CHO+OH                         +1.99000000E+019 -1.50000000E+000 +1.08200000E+004 !C5H10OOH2-1O=>NC3H7CHO+CH2O+OH\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 

C4H71-2OH+H<=>C2H5COCH2+H2                            +1.05900000E+004 +2.98000000E+000 +3.37790000E+003 !C5H10-2+H<=>C5H91-3+H2\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C4H71-2OH+O<=>C2H5COCH2+OH                            +9.68000000E-003 +4.54000000E+000 -2.46980000E+003 !C5H10-2+O<=>C5H91-3+OH\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C4H71-2OH+O2<=>C2H5COCH2+HO2                          +3.87000000E+001 +3.52000000E+000 +3.62000000E+004 !C5H10-2+O2<=>C5H91-3+HO2\Author: WARNING !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C4H71-2OH+OH<=>C2H5COCH2+H2O                          +4.46000000E+006 +2.07200000E+000 +1.05080000E+003 !C5H10-2+OH<=>C5H91-3+H2O\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H71-2OH+HO2<=>C2H5COCH2+H2O2                        +3.44000000E-001 +4.00000000E+000 +1.21030000E+004 !C5H10-2+HO2<=>C5H91-3+H2O2\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C4H71-2OH+CH3<=>C2H5COCH2+CH4                         +7.89000000E+001 +3.24000000E+000 +7.03000000E+003 !C5H10-2+CH3<=>C5H91-3+CH4\Author: SD !\Ref: WANG, KUN, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.9(2015) !\Comment: WARNING 
C4H71-2OH+CH3O<=>C2H5COCH2+CH3OH                      +2.17000000E+011 +0.00000000E+000 +4.85800000E+003 !C5H10-2+CH3O<=>C5H91-3+CH3OH\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H71-2OH+CH3O2<=>C2H5COCH2+CH3O2H                    +3.44000000E-001 +4.00000000E+000 +1.41030000E+004 !C5H10-2+CH3O2<=>C5H91-3+CH3O2H\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
!C4H71-4OH+OH<=>C4H64,2-1OH+H2O                    +2.02000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: WARNING !\Ref: ANALOGY WITH C4H8-1+OH !\Comment: WARNING 
!C4H71-4OH+HO2<=>C4H64,2-1OH+H2O2                  +3.91000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: WARNING !\Ref: ANALOGY WITH C4H8-1+OH !\Comment: WARNING 
!C4H71-4OH+H=C4H64,2-1OH+H2                             3.38E+05    2.360     207 !
!C4H71-4OH+O=C4H64,2-1OH+OH                             9.59E+12    0.000    1967 !
!C4H71-4OH+CH3=C4H64,2-1OH+CH4                          3.69E+00    3.310    4002 !
!C4H71-4OH+CH3O2=C4H64,2-1OH+CH3O2H                     4.82E+03    2.550   10530 !
!C4H71-4OH+CH3O=C4H64,2-1OH+CH3OH                       4.00E+01    2.900    8609 !
!C4H71-4OH+O2=C4H64,2-1OH+HO2                           6.00E+12    0.000   37190 !

C4H71-4OH+H<=>C4H64,2-1OH+H2                            +4.53300000E+005 +2.48700000E+000 +2.48324000E+003 !C5H10-1+H<=>C5H91-3+H2\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C4H71-4OH+O<=>C4H64,2-1OH+OH                            +6.47000000E-003 +4.54000000E+000 -4.66980000E+003 !C5H10-1+O<=>C5H91-3+OH\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C4H71-4OH+O2<=>C4H64,2-1OH+HO2                          +6.06000000E+001 +3.45000000E+000 +3.46000000E+004 !C5H10-1+O2<=>C5H91-3+HO2\Author: SD !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C4H71-4OH+OH<=>C4H64,2-1OH+H2O                          +2.02000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: WARNING !\Ref: ANALOGY WITH C4H8-1+OH !\Comment: WARNING 
C4H71-4OH+HO2<=>C4H64,2-1OH+H2O2                        +3.91000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: WARNING !\Ref: ANALOGY WITH C4H8-1+OH !\Comment: WARNING 
C4H71-4OH+CH3<=>C4H64,2-1OH+CH4                         +1.69400000E+002 +3.12000000E+000 +5.78000000E+003 !C5H10-1+CH3<=>C5H91-3+CH4\Author: SD !\Ref: WANG, KUN, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.9(2015) !\Comment: WARNING 
C4H71-4OH+CH3O<=>C4H64,2-1OH+CH3OH                      +2.17000000E+011 +0.00000000E+000 +4.85800000E+003 !C5H10-2+CH3O<=>C5H91-3+CH3OH\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H71-4OH+CH3O2<=>C4H64,2-1OH+CH3O2H                    +7.82000000E-001 +3.97000000E+000 +1.37020000E+004 !C5H10-1+CH3O2<=>C5H91-3+CH3O2H\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 

!C4H72-1OH+H=C4H64,2-1OH+H2                             1.73E+05    2.500    2492 !
!C4H72-1OH+O=C4H64,2-1OH+OH                             5.24E+11    0.700    5884 !
!C4H72-1OH+CH3=C4H64,2-1OH+CH4                          3.69E+00    3.310    4002 !
!C4H72-1OH+CH3O2=C4H64,2-1OH+CH3O2H                     2.70E+04    2.500   12340 !
!C4H72-1OH+O2=C4H64,2-1OH+HO2                           6.00E+12    0.000   37190 !

C4H72-1OH+H<=>C4H64,2-1OH+H2                            +1.05900000E+004 +2.98000000E+000 +3.37790000E+003 !C5H10-2+H<=>C5H91-3+H2\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C4H72-1OH+O<=>C4H64,2-1OH+OH                            +9.68000000E-003 +4.54000000E+000 -2.46980000E+003 !C5H10-2+O<=>C5H91-3+OH\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C4H72-1OH+O2<=>C4H64,2-1OH+HO2                          +3.87000000E+001 +3.52000000E+000 +3.62000000E+004 !C5H10-2+O2<=>C5H91-3+HO2\Author: WARNING !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C4H72-1OH+OH<=>C4H64,2-1OH+H2O                          +4.46000000E+006 +2.07200000E+000 +1.05080000E+003 !C5H10-2+OH<=>C5H91-3+H2O\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H72-1OH+HO2<=>C4H64,2-1OH+H2O2                        +3.44000000E-001 +4.00000000E+000 +1.21030000E+004 !C5H10-2+HO2<=>C5H91-3+H2O2\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C4H72-1OH+CH3<=>C4H64,2-1OH+CH4                         +7.89000000E+001 +3.24000000E+000 +7.03000000E+003 !C5H10-2+CH3<=>C5H91-3+CH4\Author: SD !\Ref: WANG, KUN, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.9(2015) !\Comment: WARNING 
C4H72-1OH+CH3O<=>C4H64,2-1OH+CH3OH                      +2.17000000E+011 +0.00000000E+000 +4.85800000E+003 !C5H10-2+CH3O<=>C5H91-3+CH3OH\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H72-1OH+CH3O2<=>C4H64,2-1OH+CH3O2H                    +3.44000000E-001 +4.00000000E+000 +1.41030000E+004 !C5H10-2+CH3O2<=>C5H91-3+CH3O2H\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 

!C4H72-1OH+OH<=>C4H63,1-1OH+H2O                    +2.69000000E+006 +2.20000000E+000 -4.36920000E+002 !\Author: WARNING !\Ref: !ANALOGY WITH C4H8-2+OH(CONSIDER THE NUMBER OF H ATOM AND OH GROUP AFFACT *2) !\Comment: WARNING 
!C4H72-1OH+HO2<=>C4H63,1-1OH+H2O2                  +2.30000000E-001 +4.00000000E+000 +1.21030000E+004 !\Author: WARNING !\Ref: !ANALOGY WITH C4H8-2+OH(CONSIDER THE NUMBER OF H ATOM AND OH GROUP AFFACT *2) !\Comment: WARNING 

!ALLYLIC ALPHA SITE ON PRENOL
C4H72-1OH+O2<=>C4H63,1-1OH+HO2                           2.44E+13    0.000   34374 !BC5H9-DOH+O2=BC5H8DJ-DOH+HO2, WAGNON1@LLNL.GOV! A*EXP(-2) FOR ALLYLIC, A=DEG*9E+13, E=DH298+2RT, T=1000K
C4H72-1OH+H<=>C4H63,1-1OH+H2                             1.19E+09    1.580    2210 !BC5H9-DOH+H=BC5H8DJ-DOH+H2, WAGNON1@LLNL.GOV! SUP.MAT. CBS-QB3 DEBRUYCKER COMBUST.FLAME 171 (2016) 237-251
C4H72-1OH+O<=>C4H63,1-1OH+OH                             9.54E+01    3.374   -1826 !BC5H9-DOH+O=BC5H8DJ-DOH+OH, WAGNON1@LLNL.GOV! A*0.66(DEG),E-2KCAL/MOL FOR WEAKER BDE, AS C3H6+O=C3H5-A+OH TABLE S3 CAVALLOTTI J.PHYS.CHEM.LETT. 5 (2014) 4213-4218
C4H72-1OH+OH<=>C4H63,1-1OH+H2O                           2.02E+06    2.200   -1437 !BC5H9-DOH+OH=BC5H8DJ-DOH+H2O, WAGNON1@LLNL.GOV! E-1KCAL/MOL FOR WEAKER BDE, AS C4H8-1+OH=C4H71-3+H2O VASU J.PHYS.CHEM.A 115 (2011) 2549-2556
C4H72-1OH+HO2<=>C4H63,1-1OH+H2O2                         2.70E-01    3.790    5800 !BC5H9-DOH+HO2=BC5H8DJ-DOH+H2O2, WAGNON1@LLNL.GOV! SUP.MAT. CBS-QB3 DEBRUYCKER COMBUST.FLAME 171 (2016) 237-251
C4H72-1OH+CH3<=>C4H63,1-1OH+CH4                          5.56E+02    3.010    4943 !BC5H9-DOH+CH3=BC5H8DJ-DOH+CH4, WAGNON1@LLNL.GOV! SUP.MAT. CBS-QB3 DEBRUYCKER COMBUST.FLAME 171 (2016) 237-251

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C4H63,1-1OH<=>C4H5OH-13+H                         +7.72200000E+012 +4.88000000E-001 +4.39400000E+004 !\Author: WARNING !\Ref: S.M. SARATHY ET AL. / COMBUSTION AND FLAME 159(2012) 2028 C2055 !\Comment: WARNING 
C4H612+OH=C4H63,1-2OH                             +5.29000000E+008 +1.20000000E+000 -8.25000000E+002 !\Author: WARNING !\Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
!DONG 211117!C4H5OH-13<=>C4H5-N+OH                             +5.61000000E+021 -1.61200000E+000 +1.06000000E+005 !\Author: WARNING !\Ref: S.M. SARATHY ET AL. / COMBUSTION AND FLAME 159(2012) 2028 C2055 !\Comment: WARNING 
!DONG 211117!C4H5OH-13<=>C2H3+CH2CHO                           +2.81600000E+024 -2.38100000E+000 +9.01300000E+004 !\Author: WARNING !\Ref: S.M. SARATHY ET AL. / COMBUSTION AND FLAME 159(2012) 2028 C2055 !\Comment: WARNING 

C4H63,1-1OH+O2<=>SC3H5CHO+HO2                            1.00E+00    0.000       0 !BC5H8DJ-DOH+O2=IC5D2Y4+HO2, WAGNON1@LLNL.GOV! AS SC2H4OH+O2=CH3CHO+HO2 DA SILVA J.PHYS.CHEM.A 113 (2009) 8923-8933
PLOG /  1.00E-03  5.26E+17   -1.637     838 /
PLOG /  1.00E-02  5.26E+17   -1.637     838 /
PLOG /  1.00E-01  5.26E+17   -1.637     838 /
PLOG /  1.00E+00  5.28E+17   -1.638     839 /
PLOG /  1.00E+01  1.54E+18   -1.771    1120 /
PLOG /  1.00E+02  3.78E+20   -2.429    3090 /

C4H5OH-13(+M)<=>AC3H5CHO(+M)                      +9.66000000E+023 -3.29000000E+000 +5.99875300E+004 !C2H3OH(+M)<=>CH3CHO(+M)\Author: SP !\Ref: E.E. DAMES, INT. J. CHEM. KINET. 46(2014) 176-188 !\Comment: WARNING 
LOW /                                             +2.87000000E+043 -8.12000000E+000 +5.21984900E+004 /
TROE /                           +5.00000000E-001 +8.63000000E+002 +3.20000000E+002 +1.00000000E+005 /
C4H5OH-13+HO2<=>AC3H5CHO+HO2                      +1.49000000E+005 +1.67000000E+000 +6.81000000E+003 !C2H3OH+HO2<=>CH3CHO+HO2\Author: SD !\Ref: DA SILVA BOZZELLI CHEMICAL PHYSICS LETTERS 483(2009) 25-29 !\Comment: WARNING 
C4H5OH-13+OH<=>CH2CHCHCHO+H2O                     +3.33000000E+009 +1.10000000E+000 +5.40500000E+002 !C2H3OH+OH<=>CH2CHO+H2O\Author: SD !\Ref: ETHENOL CHEMISTRY FROM CURRAN / YASUNAGA !\Comment: WARNING 

C4H5OH-13+OH<=>CH2OHCHCHCHOH                      +1.28991142E+09 +1.11613223E+00 -2.73701734E+03 !C4H6+OH<=>C4H64,2-1OH \Author: SD !\Ref: Bai J, Cavallotti C, Zhou C W. Combustion and Flame, 2020, 221: 228-240. !\Comment:
PLOG / +1.00000E-02 +1.32824962E+43 -1.00967871E+01 +5.94201268E+03/ ! Mean Error = 12.37 Max Error = 24.94
PLOG / +1.00000E-01 +2.24759210E+35 -7.42703371E+00 +4.36930460E+03/ ! Mean Error = 15.24 Max Error = 27.61
PLOG / +1.00000E+00 +1.07973940E+27 -4.65704995E+00 +2.36828707E+03/ ! Mean Error = 15.24 Max Error = 30.41
PLOG / +1.00000E+01 +2.25206899E+21 -2.78168648E+00 +9.47046328E+02/ ! Mean Error = 14.40 Max Error = 33.79
PLOG / +1.00000E+02 +1.77988060E+17 -1.44327119E+00 -1.38973732E+02/ ! Mean Error = 12.96 Max Error = 35.05

CH2OHCHCHCHOH+O2<=>CHOC3H4OH+HO2                        +5.26000000E+017 -1.63800000E+000 +8.69000000E+002 !\Author: WARNING !\Ref: ANALOGY WITH SC2H4OH REACTIONS !\Comment: WARNING 

C4H51,3OH2(+M)<=>C2H3COCH3(+M)                      +9.66000000E+023 -3.29000000E+000 +5.99875300E+004 !C2H3OH(+M)<=>CH3CHO(+M)\Author: SP !\Ref: E.E. DAMES, INT. J. CHEM. KINET. 46(2014) 176-188 !\Comment: WARNING 
LOW /                                             +2.87000000E+043 -8.12000000E+000 +5.21984900E+004 /
TROE /                           +5.00000000E-001 +8.63000000E+002 +3.20000000E+002 +1.00000000E+005 /
C4H51,3OH2+HO2<=>C2H3COCH3+HO2                    +1.49000000E+005 +1.67000000E+000 +6.81000000E+003 !C2H3OH+HO2<=>CH3CHO+HO2\Author: SD !\Ref: DA SILVA BOZZELLI CHEMICAL PHYSICS LETTERS 483(2009) 25-29 !\Comment: WARNING 
C4H51,3OH2+OH<=>C2H3COCH2+H2O                     +3.33000000E+009 +1.10000000E+000 +5.40500000E+002 !C2H3OH+OH<=>CH2CHO+H2O\Author: SD !\Ref: ETHENOL CHEMISTRY FROM CURRAN / YASUNAGA !\Comment: WARNING 

!===========================================================================================================
!\ENDSUBSPECIES: C4H71-1OH\C4H71-2OH\C4H71-4OH\C4H72-1OH\C4H5OH-13
!===========================================================================================================

!===========================================================================================================
!\SUBSPECIES: NC4KET12OH\NC4KET21OH
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
NC4KET12OH+H<=>C2H5CHOHCO+H2                      +1.00000000E+005 +2.58000000E+000 +1.22000000E+003 !\Author: WARNING !\Ref: M. PELUCCHI ET AL. COMBUSTION AND FLAME(2015) 162(2) 265 C286. !\Comment: WARNING 
NC4KET12OH+OH<=>C2H5CHOHCO+H2O                    +1.70000000E+012 +0.00000000E+000 -6.19000000E+002 !\Author: WARNING !\Ref: M. PELUCCHI ET AL. COMBUSTION AND FLAME(2015) 162(2) 265 C286. !\Comment: WARNING 
NC4KET12OH+O<=>C2H5CHOHCO+OH                      +5.94000000E+012 +0.00000000E+000 +1.86800000E+003 !\Author: WARNING !\Ref: M. PELUCCHI ET AL. COMBUSTION AND FLAME(2015) 162(2) 265 C286. !\Comment: WARNING 
NC4KET12OH+HO2<=>C2H5CHOHCO+H2O2                  +9.50000000E+003 +2.70000000E+000 +1.15200000E+004 !\Author: WARNING !\Ref: M. PELUCCHI ET AL. COMBUSTION AND FLAME(2015) 162(2) 265 C286. !\Comment: WARNING 
NC4KET12OH+CH3<=>C2H5CHOHCO+CH4                   +1.42000000E-003 +4.58000000E+000 +1.96600000E+003 !\Author: WARNING !\Ref: M. PELUCCHI ET AL. COMBUSTION AND FLAME(2015) 162(2) 265 C286. !\Comment: WARNING 
NC4KET12OH+C2H5<=>C2H5CHOHCO+C2H6                 +7.36000000E+004 +2.00000000E+000 +5.91709000E+003 !\Author: WARNING !\Ref: M. PELUCCHI ET AL. COMBUSTION AND FLAME(2015) 162(2) 265 C286. !\Comment: WARNING 
NC4KET12OH+CH3O<=>C2H5CHOHCO+CH3OH                +1.00000000E+012 +0.00000000E+000 +3.30000000E+003 !\Author: WARNING !\Ref: M. PELUCCHI ET AL. COMBUSTION AND FLAME(2015) 162(2) 265 C286. !\Comment: WARNING 
NC4KET12OH+CH3O2<=>C2H5CHOHCO+CH3O2H              +3.01000000E+012 +0.00000000E+000 +1.19200000E+004 !\Author: WARNING !\Ref: M. PELUCCHI ET AL. COMBUSTION AND FLAME(2015) 162(2) 265 C286. !\Comment: WARNING 
NC4KET12OH+O2<=>C2H5CHOHCO+HO2                    +9.03000000E+013 +0.00000000E+000 +4.33200000E+004 !\Author: WARNING !\Ref: M. PELUCCHI ET AL. COMBUSTION AND FLAME(2015) 162(2) 265 C286. !\Comment: WARNING 
NC4KET12OH+C2H3<=>C2H5CHOHCO+C2H4                 +3.25600000E+005 +2.00000000E+000 +3.96569000E+003 !\Author: WARNING !\Ref: M. PELUCCHI ET AL. COMBUSTION AND FLAME(2015) 162(2) 265 C286. !\Comment: WARNING 
NC4KET12OH+C2H5O<=>C2H5CHOHCO+C2H5OH              +6.03000000E+011 +0.00000000E+000 +3.30000000E+003 !\Author: WARNING !\Ref: M. PELUCCHI ET AL. COMBUSTION AND FLAME(2015) 162(2) 265 C286. !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C2H5CHOHCO<=>C3H6OH1-1+CO                         +5.78000000E+014 +0.00000000E+000 +1.68435100E+004 !\Author: WARNING !\Ref: M. PELUCCHI ET AL. COMBUSTION AND FLAME(2015) 162(2) 265 C286. !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>RH+RH
!___________________________________________________________________________________________________________ 
HOCHCHO+O<=>CHOCHO+OH                             +1.46000000E-003 +4.73000000E+000 +1.72700000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C2H5OH+OH<=>C2H5O+H2O !\Comment: WARNING 
HOCHCHO+OH<=>CHOCHO+H2O                           +5.81000000E-003 +4.28000000E+000 -3.56000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C2H5OH+OH<=>C2H5O+H2O !\Comment: WARNING 
HOCHCHO+H<=>CHOCHO+H2                             +9.45000000E+002 +3.14000000E+000 +8.70110000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C2H5OH+OH<=>C2H5O+H2O !\Comment: WARNING 
HOCHCHO+HO2<=>CHOCHO+H2O2                         +6.47000000E-007 +5.30000000E+000 +1.05331000E+004 !\Author: WARNING !\Ref: ANALOGY WITH C2H5OH+OH<=>C2H5O+H2O !\Comment: WARNING 
HOCHCHO+CH3<=>CHOCHO+CH4                          +2.03500000E+000 +3.57000000E+000 +7.72100000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C2H5OH+OH<=>C2H5O+H2O !\Comment: WARNING 
HOCHCHO+CH3O2<=>CHOCHO+CH3O2H                     +3.23600000E-007 +5.30000000E+000 +1.05331000E+004 !\Author: WARNING !\Ref: ANALOGY WITH C2H5OH+OH<=>C2H5O+H2O !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
NC4KET21OH+OH<=>C2H4COCH2OH+H2O                   +8.45000000E+011 +0.00000000E+000 -2.28000000E+002 !\Author: WARNING !\Ref: ANALOGY WITH C2H5COCH3 REACTIONS !\Comment: WARNING 
NC4KET21OH+HO2<=>C2H4COCH2OH+H2O2                 +2.00000000E+011 +0.00000000E+000 +8.69800000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C2H5COCH3 REACTIONS !\Comment: WARNING 
NC4KET21OH+O<=>C2H4COCH2OH+OH                     +3.07000000E+013 +0.00000000E+000 +3.40000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C2H5COCH3 REACTIONS !\Comment: WARNING 
NC4KET21OH+H<=>C2H4COCH2OH+H2                     +4.46000000E+006 +2.00000000E+000 +3.20000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C2H5COCH3 REACTIONS !\Comment: WARNING 
NC4KET21OH+O2<=>C2H4COCH2OH+HO2                   +1.55000000E+013 +0.00000000E+000 +4.19700000E+004 !\Author: WARNING !\Ref: ANALOGY WITH C2H5COCH3 REACTIONS !\Comment: WARNING 
NC4KET21OH+CH3<=>C2H4COCH2OH+CH4                  +1.74000000E+000 +3.46000000E+000 +3.68000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C2H5COCH3 REACTIONS !\Comment: WARNING 
NC4KET21OH+CH3O<=>C2H4COCH2OH+CH3OH               +1.45000000E+011 +0.00000000E+000 +2.77100000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C2H5COCH3 REACTIONS !\Comment: WARNING 
NC4KET21OH+CH3O2<=>C2H4COCH2OH+CH3O2H             +2.00000000E+012 +0.00000000E+000 +1.52500000E+004 !\Author: WARNING !\Ref: ANALOGY WITH C2H5COCH3 REACTIONS !\Comment: WARNING 
NC4KET21OH+C2H3<=>C2H4COCH2OH+C2H4                +3.00000000E+011 +0.00000000E+000 +3.40000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C2H5COCH3 REACTIONS !\Comment: WARNING 
NC4KET21OH+C2H5<=>C2H4COCH2OH+C2H6                +3.00000000E+010 +0.00000000E+000 +8.60000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C2H5COCH3 REACTIONS !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C2H4COCH2OH<=>CH3CHCO+CH2OH                       +9.44000000E+029 -4.93000000E+000 +3.83300000E+004 !\Author: WARNING !\Ref: ANALOGY WITH SC4H9<=>C3H6+CH3 !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: NC4KET12OH\NC4KET21OH
!===========================================================================================================

!===========================================================================================================
!\SUBSPECIES: HOCH2CHO
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
HOCH2CHO+O2<=>HOCH2CO+HO2                         +3.01000000E+013 +0.00000000E+000 +3.91500000E+004 !\Author: WARNING !\Ref: ANALOGY WITH CH3CHO ABSTRACTION REACTIONS !\Comment: WARNING 
HOCH2CHO+O<=>HOCH2CO+OH                           +5.94000000E+012 +0.00000000E+000 +1.86800000E+003 !\Author: WARNING !\Ref: ANALOGY WITH CH3CHO ABSTRACTION REACTIONS !\Comment: WARNING 
HOCH2CHO+H<=>HOCH2CO+H2                           +1.31000000E+005 +2.58000000E+000 +1.22000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH CH3CHO ABSTRACTION REACTIONS !\Comment: WARNING 
HOCH2CHO+OH<=>HOCH2CO+H2O                         +3.73000000E+004 +2.60000000E+000 -2.30000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH CH3CHO ABSTRACTION REACTIONS !\Comment: WARNING 
!DONG 220622!HOCH2CHO+HO2<=>HOCH2CO+H2O2                       +3.01000000E+012 +0.00000000E+000 +1.19200000E+004 !\Author: WARNING !\Ref: ANALOGY WITH CH3CHO ABSTRACTION REACTIONS !\Comment: WARNING 
!DONG 220623!HOCH2CHO+HO2<=>HOCH2CO+H2O2                       +1.70000000E+013 +0.00000000E+000 +1.62930000E+004 !\Author: WARNING !\Ref: CH3CHO+HO2=CH3CO+H2O2 !\Comment: WARNING 

HOCH2CHO+CH3<=>HOCH2CO+CH4                        +7.08000000E-004 +4.58000000E+000 +1.96600000E+003 !\Author: WARNING !\Ref: ANALOGY WITH CH3CHO ABSTRACTION REACTIONS !\Comment: WARNING 
HOCH2CHO+CH3O2<=>HOCH2CO+CH3O2H                   +3.01000000E+012 +0.00000000E+000 +1.19200000E+004 !\Author: WARNING !\Ref: ANALOGY WITH CH3CHO ABSTRACTION REACTIONS !\Comment: WARNING 
HOCH2CHO+CH3CO3<=>HOCH2CO+CH3CO3H                 +3.01000000E+012 +0.00000000E+000 +1.19200000E+004 !\Author: WARNING !\Ref: ANALOGY WITH CH3CHO ABSTRACTION REACTIONS !\Comment: WARNING 

!DONG 211207!
CH2CO+OH=HOCHCHO    8.86E+34 -7.8893 20011 !\Author: SD !\Ref: Savchenkova AS, ET AL. Combust Flame 2020;218:28  41. !\Comment: WARNING ! Konnov 20200318
PLOG / 0.01 9.70E+35 -9.0729 15071 /
PLOG / 0.01 5.05E+26 -6.8017 7811.8 /
PLOG / 0.1 1.14E+36 -8.6445 17504 /
PLOG / 0.1 1.69E+22 -5.1099 7383.1 /
PLOG / 1 8.86E+34 -7.8893 20011 /
PLOG / 1 1.61E+16 -2.9667 6411.3 /
PLOG / 10 1.71E+32 -6.7099 22164 /
PLOG / 10 3.51E+10 -0.98867 5391.3 /
PLOG / 100 6.16E+27 -5.1009 23479 /
PLOG / 100 6.91E+05 0.6385 4518.1 /

HOCH2CHO+OH<=>HOCHCHO+H2O                         +2.36000000E+002 +3.15000000E+000 -5.05004500E+003 !EA-2KCAL, C2H5CHO+OH<=>CH3CHCHO+H2O\Author: SP !\Ref: ZHANG ET AL. !\Comment: ANALOGY WITH 2-BUTANONE, C.-W. ZHOU, PHYS. CHEM. CHEM. PHYS. 13(2011) 11175-11192. 
HOCH2CHO+HO2<=>HOCHCHO+H2O2                       +2.02000000E-001 +3.82000000E+000 +7.34883000E+003 !EA-2KCAL, C2H5CHO+HO2<=>CH3CHCHO+H2O2\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

HOCHCHO+O2<=>CHOCHO+HO2                           +5.26000000E+017 -1.63800000E+000 +8.69000000E+002 !\Author: WARNING !\Ref: ANALOGY WITH SC2H4OH REACTIONS !\Comment: WARNING 
!DONG 220622!CHOCHO+HO2<=>HOCHCHO+O2                      +1.00000000E+03 +1.00000000E+03 +1.00000000E+03
!DONG 220622!PLOG / +1.00000E-02 +1.51708718E+10 +3.64547958E-01 +1.15609648E+04/ ! Fitting from 298.15 to 2000.00 K, Mean Error = 1.08 % Max Error = 2.51 %
!DONG 220622!PLOG / +1.00000E-01 +1.51749767E+10 +3.64513479E-01 +1.15610013E+04/ ! Fitting from 298.15 to 2000.00 K, Mean Error = 1.08 % Max Error = 2.51 %
!DONG 220622!PLOG / +1.00000E+00 +1.54533914E+10 +3.62238466E-01 +1.15653121E+04/ ! Fitting from 298.15 to 2000.00 K, Mean Error = 1.07 % Max Error = 2.49 %
!DONG 220622!PLOG / +1.00000E+01 +1.02175341E+11 +1.29073652E-01 +1.20942602E+04/ ! Fitting from 298.15 to 2000.00 K, Mean Error = 0.55 % Max Error = 1.21 %
!DONG 220622!PLOG / +1.00000E+02 +1.39924782E+12 -1.54644565E-01 +1.37133725E+04/ ! Fitting from 298.15 to 2000.00 K, Mean Error = 4.90 % Max Error = 13.17%


C5H9OH1-4,3<=>C4H61-3+CH2OH                          +3.32412168E+027 -3.80442204E+000 +4.74978973E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.19785116E+070 -1.75086009E+001 +6.02034408E+004 /
PLOG /                           +1.00000000E-001 +1.05806977E+065 -1.56256154E+001 +6.03772419E+004 /
PLOG /                           +1.00000000E+000 +7.97696504E+055 -1.25952424E+001 +5.83744948E+004 /
PLOG /                           +1.00000000E+001 +4.67282037E+043 -8.72898395E+000 +5.43044152E+004 /
PLOG /                           +1.00000000E+002 +3.32412168E+027 -3.80442204E+000 +4.74978973E+004 /

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ALPHA_SCISSION
!___________________________________________________________________________________________________________ 
HOCH2CO(+M)<=>CH2OH+CO(+M)                        +1.07000000E+012 +6.30000000E-001 +1.69000000E+004 !\Author: WARNING !\Ref: J. PHYS. CHEM. A 2006, 110, 5772-5781 !\Comment: ANALOGY WITH CH3CO<=>CH3+CO 
LOW /                                             +5.65000000E+018 -9.70000000E-001 +1.46000000E+004 /
TROE /                           +6.29000000E-001 +8.73000000E+009 +5.52000000E+000 +7.60000000E+007 /
!===========================================================================================================
!\ENDSUBSPECIES: HOCH2CHO
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: NC4KET24OH-1NC4KET24OH-3
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
NC4KET24OH-3=>CH2O+CH3COCHOH+OH                   +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ISOMERISATION
!___________________________________________________________________________________________________________ 
CH3COCHOH<=>CH3COCH2O                             +5.48000000E+045 -1.16300000E+001 +4.43280000E+004 !\Author: WARNING !\Ref: ANALOGY WITH SC2H4OH REACTIONS !\Comment: WARNING 
CH3COCHOH<=>CH3COCHO+H                            +5.69000000E+052 -1.33800000E+001 +4.50490000E+004 !\Author: WARNING !\Ref: ANALOGY WITH SC2H4OH REACTIONS !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CH3COCHOH+O2<=>CH3COCHO+HO2                       +5.26000000E+017 -1.63800000E+000 +8.69000000E+002 !\Author: WARNING !\Ref: ANALOGY WITH SC2H4OH REACTIONS !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: NC4KET24OH-1\NC4KET24OH-3
!===========================================================================================================
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: NC4H9OH
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: SC4H9OH
!\MECHCOMMENTS: BUTANOL CHEMISTRY IS INCOMPLETE, BUT NECESSARY FOR SIMULATING BUTENE ISOMERS, IT'S AN INTERGRAL PART OF C4 MECHANISM
!\MECHCOMMENTS: C4H71-3OH AND RELATED ALCOHOL SPECIES HAVE NO CHEMISTRY, MUST ADD FROM 16_09
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>RO2
!___________________________________________________________________________________________________________ 
SC4H8OH-1+O2<=>SC4H8OH-1O2                        +6.86300000E+016 -1.62700000E+000 +1.99000000E+002 !\Author: SD !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
SC4H8OH-1O2<=>PQC4H8OS                            +1.18000000E+010 +3.90000000E-001 +2.03220000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
PQC4H8OS=>C2H5CHO+CH2O+OH                         +8.69000000E+021 -2.37000000E+000 +1.26290000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
SC4H8OH-1O2<=>PQC4H7OHS-2                         +1.92000000E+005 +2.03000000E+000 +2.01900000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
SC4H8OH-1O2<=>PQC4H7OHS-3                         +5.76000000E+006 +1.54000000E+000 +1.79440000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
SC4H8OH-1O2<=>PQC4H7OHS-4                         +8.48000000E+005 +1.59000000E+000 +1.95150000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
SC4H8OH-1O2<=>C4H71-2OH+HO2                       +3.65000000E+013 -1.50000000E-001 +3.47900000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: O2QOOH<=>POOH
!___________________________________________________________________________________________________________ 
SQC4H7OHS-4O2<=>C4H7O2-1,3OOH                     +9.30000000E+010 -3.60000000E-002 +2.28900000E+004 !\Author: WARNING !\Ref: H. SUN, ET AL., J. PHYS. CHEM. A., 2007, 111, 4974. !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C2H3OH+C2H5<=>SC4H8OH-1                           +6.40000000E+006 +1.67089580E+000 +1.02702430E+004 !\Author: WARNING !\Ref: J. ZA DOR, J.A. MILLER / PROCEEDINGS OF THE COMBUSTION INSTITUTE 34(2013) 519 C526 !\Comment: WARNING 
C4H71-2OH+H<=>SC4H8OH-2                           +1.40000000E+008 +1.51550210E+000 +2.18841420E+002 !\Author: WARNING !\Ref: J. ZA DOR, J.A. MILLER / PROCEEDINGS OF THE COMBUSTION INSTITUTE 34(2013) 519 C526 !\Comment: WARNING 
C2H5COCH3+H<=>SC4H8OH-2                           +7.00000000E+007 +1.80134210E+000 +1.32231220E+004 !\Author: WARNING !\Ref: J. ZA DOR, J.A. MILLER / PROCEEDINGS OF THE COMBUSTION INSTITUTE 34(2013) 519 C526 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>QOOH
!___________________________________________________________________________________________________________ 
SC4H8OH-3O2<=>SQC4H8OS                            +1.80000000E+011 +1.00000000E-001 +2.03300000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
SC4H8OH-3O2<=>SQC4H7OHS-4                         +4.12000000E+004 +2.20000000E+000 +1.97840000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
SC4H8OH-3O2<=>SQC4H7OHS-3                         +2.85000000E+005 +2.00000000E+000 +1.95600000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
SQC4H8OS=>CH3CHO+CH3CHO+OH                        +4.72000000E+020 -2.06000000E+000 +9.46500000E+003 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
SQC4H7OHS-4<=>CCY(COCC)OH+OH                      +1.00000000E+016 -1.33000000E+000 +1.98820000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
SQC4H7OHS-4=>OH+CH3CHO+C2H3OH                     +3.08000000E+008 +1.50000000E+000 +2.35000000E+004 !\Author: WARNING !\Ref: VILLANO(FROM KUIWEN'S MECH) !\Comment: WARNING 
SQC4H7OHS-3<=>CCY(COC)OHC+OH                      +1.00000000E+016 -1.33000000E+000 +1.98820000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ISOMERISATION
!___________________________________________________________________________________________________________ 
SC4H8OH-1<=>PC4H8OH-3                             +2.90000000E+008 +1.37714320E+000 +3.78659710E+004 !\Author: WARNING !\Ref: J. ZA DOR, J.A. MILLER / PROCEEDINGS OF THE COMBUSTION INSTITUTE 34(2013) 519 C526 !\Comment: WARNING 
SC4H8OH-1<=>PC4H8OH-4                             +2.90000000E+008 +1.37714320E+000 +3.78659710E+004 !\Author: WARNING !\Ref: J. ZA DOR, J.A. MILLER / PROCEEDINGS OF THE COMBUSTION INSTITUTE 34(2013) 519 C526 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH+O2<=>O2QOOH
!___________________________________________________________________________________________________________ 
SQC4H7OHS-4+O2<=>SQC4H7OHS-4O2                    +3.43300000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>RO2
!___________________________________________________________________________________________________________ 
SC4H8OH-3+O2<=>SC4H8OH-3O2                        +3.48700000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: JB !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: O2QOOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
SQC4H7OHS-4O2<=>NC4KET24OH-3+OH                   +5.79000000E+001 +2.90000000E+000 +1.70000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 !\Comment: WARNING 
SQC4H7OHS-4O2<=>NC4KET13OH-2+OH                   +1.49000000E+009 +1.09000000E-001 +4.13900000E+004 !\Author: WARNING !\Ref: H. SUN, ET AL., J. PHYS. CHEM. A., 2007, 111, 4974. !\Comment: WARNING 
SQC4H7OHS-4O2<=>C4H6OHOOH1-2-3+HO2                +2.44000000E+013 -2.53000000E-001 +3.25900000E+004 !\Author: WARNING !\Ref: H. SUN, ET AL., J. PHYS. CHEM. A., 2007, 111, 4974. !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
SC4H8OH-3O2<=>C4H71-3OH+HO2                       +3.86000000E+007 +1.48000000E+000 +2.96310000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
SC4H8OH-3O2<=>C4H72-2OH+HO2                       +6.12000000E+014 -4.70000000E-001 +3.45160000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
SC4H8OH-3O2<=>NC4KET23OH+OH                       +1.49000000E+009 +1.09000000E-001 +4.13900000E+004 !\Author: WARNING !\Ref: H. SUN, ET AL., J. PHYS. CHEM. A., 2007, 111, 4974. !\Comment: WARNING 
!===========================================================================================================
!\SUBSPECIES: C4H71-3OHC4H72-2OH
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C4H71-3OH+OH<=>C4H63,1-3OH+H2O                    +2.02000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: \Ref !\Ref: WARNING !\Comment: WARNING 
C4H71-3OH+HO2<=>C4H63,1-3OH+H2O2                  +3.91000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: \Ref !\Ref: WARNING !\Comment: WARNING 
C4H72-2OH+OH<=>C4H63,1-3OH+H2O                    +2.02000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: \Ref !\Ref: WARNING !\Comment: WARNING 
C4H72-2OH+HO2<=>C4H63,1-3OH+H2O2                  +3.91000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: \Ref !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
!DONG 0504!C4H63,1-3OH<=>C4H6+OH                             +7.03500000E+016 -1.01200000E+000 +3.60700000E+004 !\Author: WARNING !\Ref: S.M. SARATHY ET AL. / COMBUSTION AND FLAME 159(2012) 2028 C2055 !\Comment: WARNING 

C4H63,1-3OH+O2=C2H3COCH3+HO2                             1.00E+00    0.000       0 !WAGNON1@LLNL.GOV! AS SC2H4OH+O2=CH3CHO+HO2 DA SILVA J.PHYS.CHEM.A 113 (2009) 8923-8933
PLOG /  1.00E-03  5.26E+17   -1.637     838 /
PLOG /  1.00E-02  5.26E+17   -1.637     838 /
PLOG /  1.00E-01  5.26E+17   -1.637     838 /
PLOG /  1.00E+00  5.28E+17   -1.638     839 /
PLOG /  1.00E+01  1.54E+18   -1.771    1120 /
PLOG /  1.00E+02  3.78E+20   -2.429    3090 /

C4H63,1-3OH+HO2=C4H61-3OH-3O+OH                        1.00E+00    0.000       0 !WAGNON1@LLNL.GOV! A/2(DEG) AS C3H5-A+HO2=C3H5O+OH GOLDSMITH PROC.COMBUST.INST. 33 (2011) 273-282
PLOG /  1.00E-01  3.99E+09    0.783   -2330 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 0%, MEAN = 0%, MAX = 2% @551K
PLOG /  1.00E+00  5.05E+12   -0.087     -11 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 2%, MEAN = 2%, MAX = 4% @2000K
PLOG /  1.00E+01  8.05E+17   -1.503    4824 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 1%, MEAN = 1%, MAX = 4% @2000K
PLOG /  1.00E+02  2.41E+17   -1.228    7798 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 7%, MEAN = 7%, MAX = 21% @551K

C4H61-3OH-3O=C2H3COCH3+OH                                1.00E+00    0.000       0 !WAGNON1@LLNL.GOV! AS C3H5O=C2H3+CH2O GOLDSMITH PROC.COMBUST.INST. 33 (2011) 273-282
PLOG /  1.00E-01  6.06E+16   -2.106   20436 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 7%, MEAN = 6%, MAX = 20% @2000K
PLOG /  1.00E+00  3.16E+17   -2.026   20588 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 6%, MEAN = 6%, MAX = 21% @2000K
PLOG /  1.00E+01  2.39E+22   -3.176   22993 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 6%, MEAN = 6%, MAX = 19% @2000K
PLOG /  1.00E+02  3.92E+28   -4.661   27643 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 4%, MEAN = 4%, MAX = 17% @2000K

!===========================================================================================================
!\ENDSUBSPECIES: C4H71-3OHC4H72-2OH
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: NC4KET23OH
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
NC4KET23OH+OH<=>CH3COCOHCH3+H2O                   +8.45000000E+011 +0.00000000E+000 -2.28000000E+002 !\Author: WARNING !\Ref: ANALOGY WITH C2H5COCH3 REACTIONS !\Comment: WARNING 
NC4KET23OH+HO2<=>CH3COCOHCH3+H2O2                 +2.00000000E+011 +0.00000000E+000 +8.69800000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C2H5COCH3 REACTIONS !\Comment: WARNING 
NC4KET23OH+O<=>CH3COCOHCH3+OH                     +3.07000000E+013 +0.00000000E+000 +3.40000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C2H5COCH3 REACTIONS !\Comment: WARNING 
NC4KET23OH+H<=>CH3COCOHCH3+H2                     +4.46000000E+006 +2.00000000E+000 +3.20000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C2H5COCH3 REACTIONS !\Comment: WARNING 
NC4KET23OH+O2<=>CH3COCOHCH3+HO2                   +1.55000000E+013 +0.00000000E+000 +4.19700000E+004 !\Author: WARNING !\Ref: ANALOGY WITH C2H5COCH3 REACTIONS !\Comment: WARNING 
NC4KET23OH+CH3<=>CH3COCOHCH3+CH4                  +1.74000000E+000 +3.46000000E+000 +3.68000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C2H5COCH3 REACTIONS !\Comment: WARNING 
NC4KET23OH+CH3O<=>CH3COCOHCH3+CH3OH               +1.45000000E+011 +0.00000000E+000 +2.77100000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C2H5COCH3 REACTIONS !\Comment: WARNING 
NC4KET23OH+CH3O2<=>CH3COCOHCH3+CH3O2H             +2.00000000E+012 +0.00000000E+000 +1.52500000E+004 !\Author: WARNING !\Ref: ANALOGY WITH C2H5COCH3 REACTIONS !\Comment: WARNING 
NC4KET23OH+C2H3<=>CH3COCOHCH3+C2H4                +3.00000000E+011 +0.00000000E+000 +3.40000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C2H5COCH3 REACTIONS !\Comment: WARNING 
NC4KET23OH+C2H5<=>CH3COCOHCH3+C2H6                +3.00000000E+010 +0.00000000E+000 +8.60000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C2H5COCH3 REACTIONS !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
CH3COHCO+CH3<=>CH3COCOHCH3                        +1.23000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C2H5COCH3 REACTIONS !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONMISC
!___________________________________________________________________________________________________________ 
CH3COHCO+OH<=>SC2H4OH+CO2                         +1.73000000E+012 +0.00000000E+000 -1.01000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C2H5COCH3 REACTIONS !\Comment: WARNING 
CH3COHCO+H<=>SC2H4OH+CO                           +4.40000000E+012 +0.00000000E+000 +1.45900000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C2H5COCH3 REACTIONS !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: NC4KET23OH
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: C4H6OHOOH1-2-3C4H6OHOOH1-3-4\C4H6OHOOH1-4-3\C4H6OHOOH2-2-1
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: KHP_HOMOLYTIC_FISSION
!___________________________________________________________________________________________________________ 
C4H6OHOOH1-2-3=>CH2COHCHO+CH3+OH                  +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 !\Comment: WARNING 
C4H6OHOOH1-2-3=>CH3CHO+SC2H2OH+OH                 +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 !\Comment: WARNING 
C4H6OHOOH1-3-4=>CH2O+CH2CHCHOH+OH                 +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 !\Comment: WARNING 
!DONG 0504!C4H6OHOOH1-4-3=>C2H3CHO+CH2OH+OH                  +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 !\Comment: WARNING 
!DONG 0504!C4H6OHOOH1-4-3=>HOCH2CHO+C2H3+OH                  +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 !\Comment: WARNING 
C4H6OHOOH2-2-1=>CH2O+PC3H4OH-1+OH                 +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: C4H6OHOOH1-2-3C4H6OHOOH1-3-4\C4H6OHOOH1-4-3\C4H6OHOOH2-2-1
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: CH2COHCHO
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
SC2H2OH+HCO<=>CH2COHCHO                           +1.81000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ANALOGY WITH C2H3CHO REACTIONS !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
CH2COHCHO+H<=>CH2COHCO+H2                         +1.34000000E+013 +0.00000000E+000 +3.30000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C2H3CHO REACTIONS !\Comment: WARNING 
CH2COHCHO+O<=>CH2COHCO+OH                         +5.94000000E+012 +0.00000000E+000 +1.86800000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C2H3CHO REACTIONS !\Comment: WARNING 
CH2COHCHO+OH<=>CH2COHCO+H2O                       +9.24000000E+006 +1.50000000E+000 -9.62000000E+002 !\Author: WARNING !\Ref: ANALOGY WITH C2H3CHO REACTIONS !\Comment: WARNING 
CH2COHCHO+O2<=>CH2COHCO+HO2                       +1.00500000E+013 +0.00000000E+000 +4.07000000E+004 !\Author: WARNING !\Ref: ANALOGY WITH C2H3CHO REACTIONS !\Comment: WARNING 
CH2COHCHO+HO2<=>CH2COHCO+H2O2                     +3.01000000E+012 +0.00000000E+000 +1.19200000E+004 !\Author: WARNING !\Ref: ANALOGY WITH C2H3CHO REACTIONS !\Comment: WARNING 
CH2COHCHO+CH3<=>CH2COHCO+CH4                      +2.60800000E+006 +1.78000000E+000 +5.91100000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C2H3CHO REACTIONS !\Comment: WARNING 
CH2COHCHO+C2H3<=>CH2COHCO+C2H4                    +1.74000000E+012 +0.00000000E+000 +8.44000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C2H3CHO REACTIONS !\Comment: WARNING 
CH2COHCHO+CH3O<=>CH2COHCO+CH3OH                   +1.00000000E+012 +0.00000000E+000 +3.30000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C2H3CHO REACTIONS !\Comment: WARNING 
CH2COHCHO+CH3O2<=>CH2COHCO+CH3O2H                 +3.01000000E+012 +0.00000000E+000 +1.19200000E+004 !\Author: WARNING !\Ref: ANALOGY WITH C2H3CHO REACTIONS !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ALPHA_SCISSION
!___________________________________________________________________________________________________________ 
SC2H2OH+CO<=>CH2COHCO                             +1.51000000E+011 +0.00000000E+000 +4.81000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH C2H3CHO REACTIONS !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: CH2COHCHO
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: SC2H2OH
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ISOMERISATION
!___________________________________________________________________________________________________________ 
SC2H2OH<=>C2H2OH                                  +2.65000000E+036 -8.86000000E+000 +5.10190000E+004 !\Author: WARNING !\Ref: ANALOGY WITH SC2H4OH REACTIONS !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
SC2H2OH<=>CH2CO+H                                 +5.69000000E+052 -1.33800000E+001 +4.50490000E+004 !\Author: WARNING !\Ref: ANALOGY WITH SC2H4OH REACTIONS !\Comment: WARNING 
SC2H2OH=HCCOH+H                                   +1.57200000E+012 +6.40000000E-001 +5.02920000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
SC2H2OH+O2<=>CH2CO+HO2                            +5.26000000E+017 -1.63800000E+000 +8.69000000E+002 !\Author: WARNING !\Ref: ANALOGY WITH SC2H4OH REACTIONS !\Comment: WARNING 
SC2H2OH+O2<=>HCCOH+HO2                            +5.51200000E+003 +2.49500000E+000 -4.14000000E+002 !\Author: WARNING !\Ref: ANALOGY WITH SC2H4OH REACTIONS !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: SC2H2OH
!===========================================================================================================
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: SC4H9OH
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: IC4H9OH
!\MECHCOMMENTS: BUTANOL CHEMISTRY IS INCOMPLETE, BUT NECESSARY FOR SIMULATING BUTENE ISOMERS, IT'S AN INTERGRAL PART OF C4 MECHANISM
!----------------------------------------------------------------------------------------------------------------------------------

!DONG 220428, Lone Reaction Species!IC4H8OH-C+O2=IC3H7CHO+HO2                              3.78E+20   -2.429    3090 !DA SILVA J. PHYS. CHEM. A 2009, 113, 8923
!DONG 220428, Lone Reaction Species!PLOG /  1.00E-03  5.26E+17   -1.637     838 /
!DONG 220428, Lone Reaction Species!PLOG /  1.00E-02  5.26E+17   -1.637     838 /
!DONG 220428, Lone Reaction Species!PLOG /  1.00E-01  5.26E+17   -1.637     838 /
!DONG 220428, Lone Reaction Species!PLOG /  1.00E+00  5.28E+17   -1.638     839 /
!DONG 220428, Lone Reaction Species!PLOG /  1.00E+01  1.54E+18   -1.771    1120 /
!DONG 220428, Lone Reaction Species!PLOG /  1.00E+02  3.78E+20   -2.429    3090 /

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>RO2
!___________________________________________________________________________________________________________ 
IC4H8OH-IT+O2<=>TQJC4H8OH                         +3.16000000E+070 -1.84800000E+001 +1.72870000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.05000000E+114 -3.38100000E+001 +2.47410000E+004 /
PLOG /                           +1.00000000E-002 +2.13000000E+114 -3.34400000E+001 +2.64480000E+004 /
PLOG /                           +1.00000000E-001 +1.62000000E+110 -3.17500000E+001 +2.66120000E+004 /
PLOG /                           +1.00000000E+000 +6.00000000E+101 -2.87900000E+001 +2.51970000E+004 /
PLOG /                           +1.00000000E+001 +5.36000000E+089 -2.47600000E+001 +2.24020000E+004 /
PLOG /                           +4.00000000E+001 +1.55000000E+081 -2.19500000E+001 +2.01970000E+004 /
PLOG /                           +1.00000000E+002 +1.51000000E+075 -2.00000000E+001 +1.85780000E+004 /
PLOG /                           +2.00000000E+002 +3.16000000E+070 -1.84800000E+001 +1.72870000E+004 /
IC4H8OH-TI+O2<=>IQJC4H8OH                         +1.30000000E+056 -1.38600000E+001 +1.31590000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +3.34000000E+111 -3.26700000E+001 +2.51430000E+004 /
PLOG /                           +1.00000000E-002 +4.84000000E+107 -3.10500000E+001 +2.54600000E+004 /
PLOG /                           +1.00000000E-001 +2.41000000E+100 -2.84200000E+001 +2.44740000E+004 /
PLOG /                           +1.00000000E+000 +4.55000000E+089 -2.47800000E+001 +2.21760000E+004 /
PLOG /                           +1.00000000E+001 +1.14000000E+076 -2.03100000E+001 +1.87210000E+004 /
PLOG /                           +4.00000000E+001 +9.25000000E+066 -1.73500000E+001 +1.62380000E+004 /
PLOG /                           +1.00000000E+002 +6.20000000E+060 -1.53600000E+001 +1.44990000E+004 /
PLOG /                           +2.00000000E+002 +1.30000000E+056 -1.38600000E+001 +1.31590000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>QOOH
!___________________________________________________________________________________________________________ 
IC4H8OH-IT+O2<=>TQC4H8OI                          +2.06000000E+111 -3.34800000E+001 +2.91970000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +6.36000000E+104 -3.37400000E+001 +2.23900000E+004 /
PLOG /                           +1.00000000E-002 +7.96000000E+103 -3.30100000E+001 +2.29660000E+004 /
PLOG /                           +1.00000000E-001 +6.99000000E+096 -3.04800000E+001 +2.05840000E+004 /
PLOG /                           +1.00000000E+000 +1.04000000E+088 -2.74700000E+001 +1.66290000E+004 /
PLOG /                           +1.00000000E+001 +3.13000000E+096 -2.96200000E+001 +2.03460000E+004 /
PLOG /                           +4.00000000E+001 +2.79000000E+105 -3.20400000E+001 +2.49710000E+004 /
PLOG /                           +1.00000000E+002 +4.64000000E+109 -3.31200000E+001 +2.76570000E+004 /
PLOG /                           +2.00000000E+002 +2.06000000E+111 -3.34800000E+001 +2.91970000E+004 /
IC4H8OH-IT+O2<=>QC4H7OHP                          +2.98000000E+079 -2.20900000E+001 +3.28020000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.18000000E+118 -3.76000000E+001 +2.62290000E+004 /
PLOG /                           +1.00000000E-002 +1.91000000E+131 -4.07300000E+001 +3.40790000E+004 /
PLOG /                           +1.00000000E-001 +5.81000000E+138 -4.21700000E+001 +4.07500000E+004 /
PLOG /                           +1.00000000E+000 +5.05000000E+134 -4.01900000E+001 +4.35800000E+004 /
PLOG /                           +1.00000000E+001 +2.07000000E+117 -3.42600000E+001 +4.15160000E+004 /
PLOG /                           +4.00000000E+001 +1.71000000E+101 -2.90400000E+001 +3.80940000E+004 /
PLOG /                           +1.00000000E+002 +1.25000000E+089 -2.51500000E+001 +3.52030000E+004 /
PLOG /                           +2.00000000E+002 +2.98000000E+079 -2.20900000E+001 +3.28020000E+004 /
IC4H8OH-IT+O2<=>TQC4H7OHI                         +4.58000000E+122 -3.68600000E+001 +3.63740000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.76000000E+053 -1.98700000E+001 +9.01900000E+003 /
PLOG /                           +1.00000000E-002 +4.68000000E+067 -2.39200000E+001 +1.18920000E+004 /
PLOG /                           +1.00000000E-001 +2.07000000E+091 -3.05800000E+001 +1.73470000E+004 /
PLOG /                           +1.00000000E+000 +2.84000000E+100 -3.24000000E+001 +2.00410000E+004 /
PLOG /                           +1.00000000E+001 +1.16000000E+115 -3.58100000E+001 +2.76560000E+004 /
PLOG /                           +4.00000000E+001 +4.87000000E+123 -3.78300000E+001 +3.33140000E+004 /
PLOG /                           +1.00000000E+002 +7.95000000E+124 -3.78200000E+001 +3.56830000E+004 /
PLOG /                           +2.00000000E+002 +4.58000000E+122 -3.68600000E+001 +3.63740000E+004 /
IC4H8OH-TI+O2<=>IQC4H8OT                          +1.39000000E+107 -3.22000000E+001 +2.94460000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.12000000E+102 -3.24000000E+001 +2.34960000E+004 /
PLOG /                           +1.00000000E-002 +4.23000000E+095 -3.00400000E+001 +2.20670000E+004 /
PLOG /                           +1.00000000E-001 +3.45000000E+083 -2.60800000E+001 +1.71140000E+004 /
PLOG /                           +1.00000000E+000 +8.16000000E+082 -2.56100000E+001 +1.61980000E+004 /
PLOG /                           +1.00000000E+001 +1.04000000E+097 -2.95400000E+001 +2.26480000E+004 /
PLOG /                           +4.00000000E+001 +7.25000000E+103 -3.14200000E+001 +2.64870000E+004 /
PLOG /                           +1.00000000E+002 +2.48000000E+106 -3.20600000E+001 +2.83970000E+004 /
PLOG /                           +2.00000000E+002 +1.39000000E+107 -3.22000000E+001 +2.94460000E+004 /
IC4H8OH-TI+O2<=>IQC4H7OHT                         +4.70000000E+077 -2.14100000E+001 +2.84400000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.03000000E+115 -3.51300000E+001 +2.54070000E+004 /
PLOG /                           +1.00000000E-002 +1.10000000E+129 -3.88900000E+001 +3.28910000E+004 /
PLOG /                           +1.00000000E-001 +5.15000000E+135 -4.03800000E+001 +3.85730000E+004 /
PLOG /                           +1.00000000E+000 +7.27000000E+129 -3.81300000E+001 +3.99330000E+004 /
PLOG /                           +1.00000000E+001 +4.50000000E+112 -3.24900000E+001 +3.70450000E+004 /
PLOG /                           +4.00000000E+001 +7.72000000E+097 -2.77900000E+001 +3.36120000E+004 /
PLOG /                           +1.00000000E+002 +5.17000000E+086 -2.42600000E+001 +3.07990000E+004 /
PLOG /                           +2.00000000E+002 +4.70000000E+077 -2.14100000E+001 +2.84400000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
IC4H8OH-IT+O2<=>IC4H7OH+HO2                       +1.93000000E+013 -7.10000000E-001 +1.03400000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.21000000E+026 -5.09000000E+000 +5.75500000E+003 /
PLOG /                           +1.00000000E-003 +2.45000000E+021 -4.19000000E+000 +6.83700000E+003 /
PLOG /                           +1.00000000E-002 +1.41000000E+031 -6.55000000E+000 +8.78100000E+003 /
PLOG /                           +1.00000000E-002 +1.40000000E+030 -6.75000000E+000 +1.15540000E+004 /
PLOG /                           +1.00000000E-001 +5.08000000E+034 -7.53000000E+000 +1.17020000E+004 /
PLOG /                           +1.00000000E-001 +9.11000000E+039 -9.56000000E+000 +1.78340000E+004 /
PLOG /                           +1.00000000E+000 +1.67000000E+034 -7.27000000E+000 +1.34180000E+004 /
PLOG /                           +1.00000000E+000 +5.16000000E+042 -1.01700000E+001 +2.24120000E+004 /
PLOG /                           +1.00000000E+001 +2.82000000E+028 -5.41000000E+000 +1.33180000E+004 /
PLOG /                           +1.00000000E+001 +6.07000000E+032 -6.94000000E+000 +2.27380000E+004 /
PLOG /                           +4.00000000E+001 +2.50000000E+022 -3.52000000E+000 +1.23140000E+004 /
PLOG /                           +4.00000000E+001 +3.88000000E+020 -3.14000000E+000 +2.06770000E+004 /
PLOG /                           +1.00000000E+002 +2.82000000E+017 -1.99000000E+000 +1.12860000E+004 /
PLOG /                           +1.00000000E+002 +3.32000000E+010 -3.00000000E-002 +1.85520000E+004 /
PLOG /                           +2.00000000E+002 +1.93000000E+013 -7.10000000E-001 +1.03400000E+004 /
PLOG /                           +2.00000000E+002 +1.22000000E+002 +2.57000000E+000 +1.66230000E+004 /
IC4H8OH-IT+O2<=>SC4H7OH-I+HO2                     +1.32000000E+012 -2.50000000E-001 +1.02850000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.26000000E+025 -4.69000000E+000 +5.75500000E+003 /
PLOG /                           +1.00000000E-003 +3.22000000E+023 -4.69000000E+000 +5.34100000E+003 /
PLOG /                           +1.00000000E-002 +1.44000000E+030 -6.15000000E+000 +8.78500000E+003 /
PLOG /                           +1.00000000E-002 +4.80000000E+028 -6.18000000E+000 +8.46100000E+003 /
PLOG /                           +1.00000000E-001 +4.78000000E+033 -7.11000000E+000 +1.16950000E+004 /
PLOG /                           +1.00000000E-001 +1.71000000E+032 -7.16000000E+000 +1.14100000E+004 /
PLOG /                           +1.00000000E+000 +1.40000000E+033 -6.84000000E+000 +1.33950000E+004 /
PLOG /                           +1.00000000E+000 +1.53000000E+032 -7.02000000E+000 +1.33780000E+004 /
PLOG /                           +1.00000000E+001 +2.12000000E+027 -4.96000000E+000 +1.32770000E+004 /
PLOG /                           +1.00000000E+001 +5.55000000E+029 -6.14000000E+000 +1.51000000E+004 /
PLOG /                           +4.00000000E+001 +1.78000000E+021 -3.07000000E+000 +1.22650000E+004 /
PLOG /                           +4.00000000E+001 +1.72000000E+026 -4.97000000E+000 +1.58490000E+004 /
PLOG /                           +1.00000000E+002 +1.97000000E+016 -1.53000000E+000 +1.12340000E+004 /
PLOG /                           +1.00000000E+002 +4.46000000E+021 -3.51000000E+000 +1.56440000E+004 /
PLOG /                           +2.00000000E+002 +1.32000000E+012 -2.50000000E-001 +1.02850000E+004 /
PLOG /                           +2.00000000E+002 +5.06000000E+016 -1.96000000E+000 +1.49790000E+004 /
IC4H8OH-IT+O2=>CH3COCH3+CH2O+OH                   +3.74000000E+025 -4.06000000E+000 +1.51180000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +3.03000000E+037 -8.35000000E+000 +6.94000000E+003 /
PLOG /                           +1.00000000E-002 +1.07000000E+042 -9.64000000E+000 +9.96500000E+003 /
PLOG /                           +1.00000000E-001 +9.22000000E+043 -1.01200000E+001 +1.24270000E+004 /
PLOG /                           +1.00000000E+000 +1.14000000E+042 -9.42000000E+000 +1.38060000E+004 /
PLOG /                           +1.00000000E+001 +1.80000000E+038 -8.13000000E+000 +1.51310000E+004 /
PLOG /                           +4.00000000E+001 +1.61000000E+034 -6.80000000E+000 +1.56910000E+004 /
PLOG /                           +1.00000000E+002 +7.00000000E+029 -5.41000000E+000 +1.55520000E+004 /
PLOG /                           +2.00000000E+002 +3.74000000E+025 -4.06000000E+000 +1.51180000E+004 /
IC4H8OH-IT+O2<=>CCY(CCO)COH+OH                    +2.30000000E-004 +4.73000000E+000 +1.60370000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +2.11000000E+018 -2.87000000E+000 +6.87000000E+003 /
PLOG /                           +1.00000000E-002 +3.02000000E+027 -5.54000000E+000 +1.18420000E+004 /
PLOG /                           +1.00000000E-001 +1.36000000E+037 -8.29000000E+000 +1.81650000E+004 /
PLOG /                           +1.00000000E+000 +1.21000000E+039 -8.66000000E+000 +2.25170000E+004 /
PLOG /                           +1.00000000E+001 +1.53000000E+028 -5.13000000E+000 +2.25300000E+004 /
PLOG /                           +4.00000000E+001 +2.72000000E+015 -1.16000000E+000 +2.02830000E+004 /
PLOG /                           +1.00000000E+002 +1.06000000E+005 +2.06000000E+000 +1.80440000E+004 /
PLOG /                           +2.00000000E+002 +2.30000000E-004 +4.73000000E+000 +1.60370000E+004 /
IC4H8OH-IT+O2<=>C2CY(COC)OH+OH                    +3.31000000E+022 -3.37000000E+000 +1.46060000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.42000000E+032 -6.95000000E+000 +6.21000000E+003 /
PLOG /                           +1.00000000E-002 +5.19000000E+036 -8.24000000E+000 +9.23300000E+003 /
PLOG /                           +1.00000000E-001 +5.77000000E+038 -8.76000000E+000 +1.17150000E+004 /
PLOG /                           +1.00000000E+000 +2.86000000E+036 -7.95000000E+000 +1.28230000E+004 /
PLOG /                           +1.00000000E+001 +1.37000000E+032 -6.51000000E+000 +1.36460000E+004 /
PLOG /                           +4.00000000E+001 +2.15000000E+029 -5.56000000E+000 +1.45410000E+004 /
PLOG /                           +1.00000000E+002 +1.20000000E+026 -4.51000000E+000 +1.47780000E+004 /
PLOG /                           +2.00000000E+002 +3.31000000E+022 -3.37000000E+000 +1.46060000E+004 /
IC4H8OH-TI+O2<=>IC3H6OHCHO+OH                     +3.03000000E+004 +2.08000000E+000 +1.38540000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.59000000E+015 -1.63000000E+000 +8.94700000E+003 /
PLOG /                           +1.00000000E-002 +5.07000000E+020 -3.24000000E+000 +1.19380000E+004 /
PLOG /                           +1.00000000E-001 +5.00000000E+025 -4.66000000E+000 +1.52510000E+004 /
PLOG /                           +1.00000000E+000 +3.18000000E+026 -4.79000000E+000 +1.73880000E+004 /
PLOG /                           +1.00000000E+001 +6.00000000E+020 -2.95000000E+000 +1.72970000E+004 /
PLOG /                           +4.00000000E+001 +1.70000000E+014 -9.10000000E-001 +1.60990000E+004 /
PLOG /                           +1.00000000E+002 +7.91000000E+008 +7.30000000E-001 +1.49130000E+004 /
PLOG /                           +2.00000000E+002 +3.03000000E+004 +2.08000000E+000 +1.38540000E+004 /
IC4H8OH-TI+O2=>CH3COCH3+CH2O+OH                   +7.18000000E+024 -3.99000000E+000 +1.67470000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +4.39000000E+048 -1.18800000E+001 +1.16030000E+004 /
PLOG /                           +1.00000000E-002 +9.82000000E+050 -1.24900000E+001 +1.41430000E+004 /
PLOG /                           +1.00000000E-001 +3.43000000E+049 -1.19400000E+001 +1.55610000E+004 /
PLOG /                           +1.00000000E+000 +2.43000000E+045 -1.05600000E+001 +1.64150000E+004 /
PLOG /                           +1.00000000E+001 +4.98000000E+039 -8.68000000E+000 +1.74730000E+004 /
PLOG /                           +4.00000000E+001 +7.99000000E+033 -6.83000000E+000 +1.75020000E+004 /
PLOG /                           +1.00000000E+002 +1.02000000E+029 -5.28000000E+000 +1.71650000E+004 /
PLOG /                           +2.00000000E+002 +7.18000000E+024 -3.99000000E+000 +1.67470000E+004 /
IC4H8OH-TI+O2<=>CH3+C3KET21                       +2.16000000E+019 -2.12000000E+000 +1.69250000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +2.91000000E+040 -9.23000000E+000 +1.08300000E+004 /
PLOG /                           +1.00000000E-002 +9.66000000E+043 -1.02000000E+001 +1.36980000E+004 /
PLOG /                           +1.00000000E-001 +1.34000000E+044 -1.01300000E+001 +1.56610000E+004 /
PLOG /                           +1.00000000E+000 +2.57000000E+041 -9.18000000E+000 +1.70470000E+004 /
PLOG /                           +1.00000000E+001 +1.82000000E+036 -7.46000000E+000 +1.83300000E+004 /
PLOG /                           +4.00000000E+001 +8.82000000E+029 -5.44000000E+000 +1.82050000E+004 /
PLOG /                           +1.00000000E+002 +1.74000000E+024 -3.65000000E+000 +1.76000000E+004 /
PLOG /                           +2.00000000E+002 +2.16000000E+019 -2.12000000E+000 +1.69250000E+004 /
IC4H8OH-TI+O2=>IC3H5OH+CH2O+OH                    +1.27000000E-021 +1.04100000E+001 +1.37330000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +5.10000000E+024 -4.31000000E+000 +1.30090000E+004 /
PLOG /                           +1.00000000E-002 +6.91000000E+033 -6.97000000E+000 +1.79350000E+004 /
PLOG /                           +1.00000000E-001 +1.74000000E+041 -9.03000000E+000 +2.36130000E+004 /
PLOG /                           +1.00000000E+000 +2.26000000E+036 -7.32000000E+000 +2.56330000E+004 /
PLOG /                           +1.00000000E+001 +3.15000000E+017 -1.40000000E+000 +2.27820000E+004 /
PLOG /                           +4.00000000E+001 +9.35000000E+000 +3.71000000E+000 +1.91140000E+004 /
PLOG /                           +1.00000000E+002 +5.59000000E-012 +7.46000000E+000 +1.61560000E+004 /
PLOG /                           +2.00000000E+002 +1.27000000E-021 +1.04100000E+001 +1.37330000E+004 /
IC4H8OH-TI+O2<=>CCY(CCOC)OH+OH                    +8.64000000E-022 +1.02100000E+001 +1.01260000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +3.06000000E+033 -7.24000000E+000 +1.14760000E+004 /
PLOG /                           +1.00000000E-002 +6.56000000E+042 -9.92000000E+000 +1.71970000E+004 /
PLOG /                           +1.00000000E-001 +8.24000000E+046 -1.09500000E+001 +2.20900000E+004 /
PLOG /                           +1.00000000E+000 +4.48000000E+038 -8.22000000E+000 +2.30190000E+004 /
PLOG /                           +1.00000000E+001 +1.01000000E+018 -1.77000000E+000 +1.94960000E+004 /
PLOG /                           +4.00000000E+001 +1.16000000E+001 +3.44000000E+000 +1.56370000E+004 /
PLOG /                           +1.00000000E+002 +4.85000000E-012 +7.23000000E+000 +1.25990000E+004 /
PLOG /                           +2.00000000E+002 +8.64000000E-022 +1.02100000E+001 +1.01260000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>QOOH
!___________________________________________________________________________________________________________ 
TQJC4H8OH<=>TQC4H8OI                              +9.08000000E+021 -3.25000000E+000 +2.51310000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +3.78000000E+050 -1.29100000E+001 +3.15390000E+004 /
PLOG /                           +1.00000000E-002 +1.42000000E+045 -1.09400000E+001 +3.08640000E+004 /
PLOG /                           +1.00000000E-001 +1.50000000E+040 -9.21000000E+000 +2.99320000E+004 /
PLOG /                           +1.00000000E+000 +3.12000000E+035 -7.64000000E+000 +2.88640000E+004 /
PLOG /                           +1.00000000E+001 +2.73000000E+029 -5.67000000E+000 +2.72430000E+004 /
PLOG /                           +4.00000000E+001 +8.88000000E+025 -4.54000000E+000 +2.62720000E+004 /
PLOG /                           +1.00000000E+002 +4.60000000E+023 -3.80000000E+000 +2.56220000E+004 /
PLOG /                           +2.00000000E+002 +9.08000000E+021 -3.25000000E+000 +2.51310000E+004 /
TQJC4H8OH<=>QC4H7OHP                              +1.77000000E+029 -5.57000000E+000 +4.11730000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +9.16000000E+062 -1.80200000E+001 +4.52970000E+004 /
PLOG /                           +1.00000000E-002 +2.56000000E+062 -1.71000000E+001 +4.73930000E+004 /
PLOG /                           +1.00000000E-001 +1.25000000E+059 -1.56100000E+001 +4.79840000E+004 /
PLOG /                           +1.00000000E+000 +1.97000000E+053 -1.34900000E+001 +4.72810000E+004 /
PLOG /                           +1.00000000E+001 +1.91000000E+043 -1.01500000E+001 +4.49260000E+004 /
PLOG /                           +4.00000000E+001 +7.68000000E+036 -8.05000000E+000 +4.32670000E+004 /
PLOG /                           +1.00000000E+002 +3.49000000E+032 -6.64000000E+000 +4.20890000E+004 /
PLOG /                           +2.00000000E+002 +1.77000000E+029 -5.57000000E+000 +4.11730000E+004 /
TQJC4H8OH<=>TQC4H7OHI                             +1.34000000E+026 -4.59000000E+000 +3.20350000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +9.57000000E+058 -1.59900000E+001 +3.82930000E+004 /
PLOG /                           +1.00000000E-002 +7.27000000E+054 -1.42500000E+001 +3.85930000E+004 /
PLOG /                           +1.00000000E-001 +8.30000000E+049 -1.24400000E+001 +3.80310000E+004 /
PLOG /                           +1.00000000E+000 +1.90000000E+044 -1.05100000E+001 +3.69050000E+004 /
PLOG /                           +1.00000000E+001 +2.18000000E+036 -7.90000000E+000 +3.48650000E+004 /
PLOG /                           +4.00000000E+001 +4.10000000E+031 -6.36000000E+000 +3.35810000E+004 /
PLOG /                           +1.00000000E+002 +3.00000000E+028 -5.35000000E+000 +3.27040000E+004 /
PLOG /                           +2.00000000E+002 +1.34000000E+026 -4.59000000E+000 +3.20350000E+004 /
IQJC4H8OH<=>IQC4H8OT                              +1.44000000E+017 -2.01000000E+000 +2.47400000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.04000000E+045 -1.12000000E+001 +3.17550000E+004 /
PLOG /                           +1.00000000E-002 +2.90000000E+040 -9.62000000E+000 +3.09450000E+004 /
PLOG /                           +1.00000000E-001 +4.85000000E+035 -8.01000000E+000 +2.98500000E+004 /
PLOG /                           +1.00000000E+000 +2.62000000E+030 -6.28000000E+000 +2.84980000E+004 /
PLOG /                           +1.00000000E+001 +3.37000000E+024 -4.37000000E+000 +2.68730000E+004 /
PLOG /                           +4.00000000E+001 +9.75000000E+020 -3.23000000E+000 +2.58610000E+004 /
PLOG /                           +1.00000000E+002 +5.61000000E+018 -2.52000000E+000 +2.52080000E+004 /
PLOG /                           +2.00000000E+002 +1.44000000E+017 -2.01000000E+000 +2.47400000E+004 /
IQJC4H8OH<=>IQC4H7OHT                             +3.69000000E+017 -2.09000000E+000 +2.89000000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.36000000E+050 -1.29300000E+001 +3.67430000E+004 /
PLOG /                           +1.00000000E-002 +3.36000000E+045 -1.12700000E+001 +3.61430000E+004 /
PLOG /                           +1.00000000E-001 +1.13000000E+040 -9.41000000E+000 +3.49900000E+004 /
PLOG /                           +1.00000000E+000 +5.93000000E+033 -7.33000000E+000 +3.34380000E+004 /
PLOG /                           +1.00000000E+001 +4.24000000E+026 -5.00000000E+000 +3.15020000E+004 /
PLOG /                           +4.00000000E+001 +1.97000000E+022 -3.61000000E+000 +3.02750000E+004 /
PLOG /                           +1.00000000E+002 +3.43000000E+019 -2.72000000E+000 +2.94770000E+004 /
PLOG /                           +2.00000000E+002 +3.69000000E+017 -2.09000000E+000 +2.89000000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
TQJC4H8OH<=>SC4H7OH-I+HO2                         +2.30000000E+016 -8.20000000E-001 +3.36420000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TQJC4H8OH<=>IC4H7OH+HO2                           +9.46000000E+031 -6.28000000E+000 +3.78490000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +9.73000000E+065 -1.85000000E+001 +4.29750000E+004 /
PLOG /                           +1.00000000E-003 +5.27000000E+064 -1.80000000E+001 +4.28720000E+004 /
PLOG /                           +1.00000000E-002 +1.04000000E+064 -1.72500000E+001 +4.44190000E+004 /
PLOG /                           +1.00000000E-002 +4.82000000E+062 -1.67400000E+001 +4.42840000E+004 /
PLOG /                           +1.00000000E-001 +7.90000000E+059 -1.55900000E+001 +4.45040000E+004 /
PLOG /                           +1.00000000E-001 +3.42000000E+058 -1.50700000E+001 +4.43480000E+004 /
PLOG /                           +1.00000000E+000 +9.35000000E+053 -1.34900000E+001 +4.35660000E+004 /
PLOG /                           +1.00000000E+000 +4.05000000E+052 -1.29700000E+001 +4.34020000E+004 /
PLOG /                           +1.00000000E+001 +4.13000000E+044 -1.03900000E+001 +4.12790000E+004 /
PLOG /                           +1.00000000E+001 +1.93000000E+043 -9.88000000E+000 +4.11200000E+004 /
PLOG /                           +4.00000000E+001 +6.57000000E+038 -8.49000000E+000 +3.97450000E+004 /
PLOG /                           +4.00000000E+001 +3.28000000E+037 -7.99000000E+000 +3.95930000E+004 /
PLOG /                           +1.00000000E+002 +8.32000000E+034 -7.23000000E+000 +3.86750000E+004 /
PLOG /                           +1.00000000E+002 +4.35000000E+033 -6.74000000E+000 +3.85270000E+004 /
PLOG /                           +2.00000000E+002 +9.46000000E+031 -6.28000000E+000 +3.78490000E+004 /
PLOG /                           +2.00000000E+002 +5.13000000E+030 -5.79000000E+000 +3.77060000E+004 /
IQJC4H8OH<=>IC3H6OHCHO+OH                         +2.72000000E+029 -5.41000000E+000 +4.64860000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +3.58000000E+071 -2.06200000E+001 +5.26560000E+004 /
PLOG /                           +1.00000000E-002 +9.67000000E+071 -2.00800000E+001 +5.49350000E+004 /
PLOG /                           +1.00000000E-001 +3.39000000E+067 -1.81800000E+001 +5.53300000E+004 /
PLOG /                           +1.00000000E+000 +7.26000000E+058 -1.50900000E+001 +5.40160000E+004 /
PLOG /                           +1.00000000E+001 +4.57000000E+046 -1.10100000E+001 +5.11720000E+004 /
PLOG /                           +4.00000000E+001 +4.31000000E+038 -8.38000000E+000 +4.90540000E+004 /
PLOG /                           +1.00000000E+002 +2.12000000E+033 -6.66000000E+000 +4.75870000E+004 /
PLOG /                           +2.00000000E+002 +2.72000000E+029 -5.41000000E+000 +4.64860000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
TQC4H8OI=>CH3COCH3+CH2O+OH                        +7.63000000E+035 -7.17000000E+000 +2.06410000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +8.09000000E+038 -9.91000000E+000 +1.90960000E+004 /
PLOG /                           +1.00000000E-002 +9.09000000E+039 -9.93000000E+000 +1.91350000E+004 /
PLOG /                           +1.00000000E-001 +1.89000000E+041 -1.00200000E+001 +1.94070000E+004 /
PLOG /                           +1.00000000E+000 +7.47000000E+023 -4.10000000E+000 +1.46580000E+004 /
PLOG /                           +1.00000000E+001 +2.95000000E+033 -6.75000000E+000 +1.86850000E+004 /
PLOG /                           +4.00000000E+001 +4.24000000E+036 -7.56000000E+000 +2.03070000E+004 /
PLOG /                           +1.00000000E+002 +7.83000000E+036 -7.54000000E+000 +2.07470000E+004 /
PLOG /                           +2.00000000E+002 +7.63000000E+035 -7.17000000E+000 +2.06410000E+004 /
QC4H7OHP<=>IC4H7OH+HO2                            +1.12000000E+030 -5.80000000E+000 +2.40500000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +3.29000000E+057 -1.56400000E+001 +2.85760000E+004 /
PLOG /                           +1.00000000E-002 +9.65000000E+058 -1.57500000E+001 +2.99270000E+004 /
PLOG /                           +1.00000000E-001 +2.19000000E+050 -1.26600000E+001 +2.85470000E+004 /
PLOG /                           +1.00000000E+000 +1.67000000E+049 -1.20500000E+001 +2.92040000E+004 /
PLOG /                           +1.00000000E+001 +7.08000000E+040 -9.26000000E+000 +2.71880000E+004 /
PLOG /                           +4.00000000E+001 +1.32000000E+030 -5.82000000E+000 +2.40710000E+004 /
PLOG /                           +1.00000000E+002 +1.15000000E+030 -5.80000000E+000 +2.40530000E+004 /
PLOG /                           +2.00000000E+002 +1.12000000E+030 -5.80000000E+000 +2.40500000E+004 /
QC4H7OHP<=>CCY(CCO)COH+OH                         +5.15000000E+029 -5.28000000E+000 +2.50780000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.11000000E+051 -1.29700000E+001 +2.84970000E+004 /
PLOG /                           +1.00000000E-002 +5.58000000E+051 -1.28700000E+001 +2.95290000E+004 /
PLOG /                           +1.00000000E-001 +3.03000000E+044 -1.02800000E+001 +2.83260000E+004 /
PLOG /                           +1.00000000E+000 +1.42000000E+044 -9.98000000E+000 +2.89860000E+004 /
PLOG /                           +1.00000000E+001 +9.69000000E+037 -7.93000000E+000 +2.74910000E+004 /
PLOG /                           +4.00000000E+001 +5.90000000E+029 -5.30000000E+000 +2.50950000E+004 /
PLOG /                           +1.00000000E+002 +5.27000000E+029 -5.29000000E+000 +2.50810000E+004 /
PLOG /                           +2.00000000E+002 +5.15000000E+029 -5.28000000E+000 +2.50780000E+004 /
TQC4H7OHI<=>C2CY(COC)OH+OH                        +2.13000000E+033 -6.45000000E+000 +1.71700000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.10000000E+031 -7.21000000E+000 +1.46400000E+004 /
PLOG /                           +1.00000000E-002 +1.37000000E+032 -7.24000000E+000 +1.47160000E+004 /
PLOG /                           +1.00000000E-001 +3.34000000E+033 -7.35000000E+000 +1.51270000E+004 /
PLOG /                           +1.00000000E+000 +1.86000000E+023 -3.68000000E+000 +1.28640000E+004 /
PLOG /                           +1.00000000E+001 +9.88000000E+031 -6.23000000E+000 +1.60400000E+004 /
PLOG /                           +4.00000000E+001 +1.25000000E+034 -6.78000000E+000 +1.70560000E+004 /
PLOG /                           +1.00000000E+002 +7.73000000E+033 -6.67000000E+000 +1.71760000E+004 /
PLOG /                           +2.00000000E+002 +2.13000000E+033 -6.45000000E+000 +1.71700000E+004 /
TQC4H7OHI<=>SC4H7OH-I+HO2                         +2.94000000E+024 -4.18000000E+000 +1.72850000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +6.01000000E+027 -7.27000000E+000 +1.46580000E+004 /
PLOG /                           +1.00000000E-002 +7.78000000E+028 -7.30000000E+000 +1.47330000E+004 /
PLOG /                           +1.00000000E-001 +3.27000000E+030 -7.48000000E+000 +1.51910000E+004 /
PLOG /                           +1.00000000E+000 +2.81000000E+017 -2.82000000E+000 +1.23360000E+004 /
PLOG /                           +1.00000000E+001 +1.92000000E+026 -5.22000000E+000 +1.61460000E+004 /
PLOG /                           +4.00000000E+001 +7.61000000E+027 -5.49000000E+000 +1.74830000E+004 /
PLOG /                           +1.00000000E+002 +1.91000000E+026 -4.86000000E+000 +1.74290000E+004 /
PLOG /                           +2.00000000E+002 +2.94000000E+024 -4.18000000E+000 +1.72850000E+004 /
IQC4H7OHT=>IC3H5OH+CH2O+OH                        +1.37000000E+013 -3.70000000E-001 +2.52330000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +4.25000000E+016 -3.66000000E+000 +1.93640000E+004 /
PLOG /                           +1.00000000E-002 +2.98000000E+033 -8.01000000E+000 +2.71060000E+004 /
PLOG /                           +1.00000000E-001 +3.46000000E+038 -8.83000000E+000 +3.14120000E+004 /
PLOG /                           +1.00000000E+000 +7.07000000E+028 -5.46000000E+000 +2.96330000E+004 /
PLOG /                           +1.00000000E+001 +2.01000000E+013 -4.30000000E-001 +2.52780000E+004 /
PLOG /                           +4.00000000E+001 +1.43000000E+013 -3.80000000E-001 +2.52380000E+004 /
PLOG /                           +1.00000000E+002 +1.38000000E+013 -3.80000000E-001 +2.52340000E+004 /
PLOG /                           +2.00000000E+002 +1.37000000E+013 -3.70000000E-001 +2.52330000E+004 /
IQC4H7OHT<=>CCY(CCOC)OH+OH                        +1.77000000E+017 -2.01000000E+000 +2.07820000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.12000000E+025 -5.59000000E+000 +1.93490000E+004 /
PLOG /                           +1.00000000E-002 +7.20000000E+032 -7.60000000E+000 +2.30930000E+004 /
PLOG /                           +1.00000000E-001 +2.22000000E+034 -7.65000000E+000 +2.51300000E+004 /
PLOG /                           +1.00000000E+000 +2.40000000E+027 -5.28000000E+000 +2.36630000E+004 /
PLOG /                           +1.00000000E+001 +2.24000000E+017 -2.04000000E+000 +2.08100000E+004 /
PLOG /                           +4.00000000E+001 +1.82000000E+017 -2.01000000E+000 +2.07860000E+004 /
PLOG /                           +1.00000000E+002 +1.78000000E+017 -2.01000000E+000 +2.07830000E+004 /
PLOG /                           +2.00000000E+002 +1.77000000E+017 -2.01000000E+000 +2.07820000E+004 /
IQC4H7OHT<=>IC4H7OOH+OH                           +1.37000000E+016 -1.48000000E+000 +3.26490000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +6.07000000E+013 -4.21000000E+000 +2.24780000E+004 /
PLOG /                           +1.00000000E-002 +9.74000000E+039 -1.08900000E+001 +3.36160000E+004 /
PLOG /                           +1.00000000E-001 +2.18000000E+049 -1.26500000E+001 +4.03590000E+004 /
PLOG /                           +1.00000000E+000 +3.32000000E+037 -8.42000000E+000 +3.85390000E+004 /
PLOG /                           +1.00000000E+001 +2.34000000E+016 -1.56000000E+000 +3.27120000E+004 /
PLOG /                           +4.00000000E+001 +1.44000000E+016 -1.49000000E+000 +3.26560000E+004 /
PLOG /                           +1.00000000E+002 +1.38000000E+016 -1.48000000E+000 +3.26510000E+004 /
PLOG /                           +2.00000000E+002 +1.37000000E+016 -1.48000000E+000 +3.26490000E+004 /
IQC4H8OT=>CH3COCH3+CH2O+OH                        +1.34000000E+040 -8.38000000E+000 +2.27820000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +2.00000000E+040 -9.95000000E+000 +2.07370000E+004 /
PLOG /                           +1.00000000E-002 +2.40000000E+041 -9.97000000E+000 +2.08140000E+004 /
PLOG /                           +1.00000000E-001 +5.20000000E+042 -1.00700000E+001 +2.12290000E+004 /
PLOG /                           +1.00000000E+000 +5.26400000E+032 -6.47000000E+000 +1.91390000E+004 /
PLOG /                           +1.00000000E+001 +2.64000000E+040 -8.68000000E+000 +2.21200000E+004 /
PLOG /                           +4.00000000E+001 +8.08000000E+041 -9.03000000E+000 +2.30000000E+004 /
PLOG /                           +1.00000000E+002 +1.80000000E+041 -8.77000000E+000 +2.30080000E+004 /
PLOG /                           +2.00000000E+002 +1.34000000E+040 -8.38000000E+000 +2.27820000E+004 /
IQC4H8OT<=>CH3+C3KET21                            +2.67000000E+034 -6.63000000E+000 +2.26720000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +2.04000000E+037 -9.27000000E+000 +2.07410000E+004 /
PLOG /                           +1.00000000E-002 +2.54000000E+038 -9.29000000E+000 +2.08210000E+004 /
PLOG /                           +1.00000000E-001 +7.13000000E+039 -9.42000000E+000 +2.12670000E+004 /
PLOG /                           +1.00000000E+000 +2.95200000E+028 -5.34000000E+000 +1.88910000E+004 /
PLOG /                           +1.00000000E+001 +1.31000000E+036 -7.46000000E+000 +2.21060000E+004 /
PLOG /                           +4.00000000E+001 +2.19000000E+037 -7.68000000E+000 +2.30840000E+004 /
PLOG /                           +1.00000000E+002 +1.40000000E+040 -7.22000000E+000 +2.30180000E+004 /
PLOG /                           +2.00000000E+002 +2.67000000E+034 -6.63000000E+000 +2.26720000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH+O2<=>O2QOOH
!___________________________________________________________________________________________________________ 
TQC4H7OHI+O2<=>TQC4H7OHIO2                        +3.49000000E+014 -8.16000000E-001 -5.36490000E+002 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
IQC4H7OHT+O2<=>IQC4H7OHTO2                        +6.87000000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: O2QOOH<=>O2QOOH
!___________________________________________________________________________________________________________ 
TQC4H7OHIO2<=>TQC4H7OHTO2                         +2.95600000E+009 +4.00000000E-002 +1.63500000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: O2QOOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
TQC4H7OHTO2<=>HOCOCQ(CH3)2+OH                     +1.75000000E+008 +1.70000000E+000 +2.60000000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
IQC4H7OHTO2<=>CHOC(CH3)OHCH2Q+OH                  +1.20000000E+010 +3.50000000E-001 +1.57000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: O2QOOH<=>POOH
!___________________________________________________________________________________________________________ 
TQC4H7OHIO2<=>TQC4H7OHIQ-I                        +2.56000000E+012 -1.30000000E-001 +3.43600000E+004 !\Author: WARNING !\Ref: C ZHOU ESTIMATED SECOND-O2 ADDITION FROM F. GOLDSMITH CALCULATION. !\Comment: !ANALOGY TO O2+QOOH_2 
TQC4H7OHIO2<=>TQC4H7OHIQ-P                        +5.69000000E+008 +7.80000000E-001 +2.18500000E+004 !\Author: WARNING !\Ref: C ZHOU ESTIMATED SECOND-O2 ADDITION FROM F. GOLDSMITH CALCULATION. !\Comment: !ANALOGY TO O2+QOOH_2 
IQC4H7OHTO2<=>IQC4H7OHTQ-P                        +2.06300000E+007 +1.00000000E+000 +2.10700000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
IQC4H7OHTO2<=>IQC4H8OTQ-I                         +4.13000000E+007 +1.00000000E+000 +2.10700000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: POOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
TQC4H7OHIQ-I=>HO2CHO+CH3COCH3+OH                  +5.81900000E+005 +2.40000000E+000 +2.27900000E+004 !\Author: WARNING !\Ref: C ZHOU ESTIMATED SECOND-O2 ADDITION FROM F. GOLDSMITH CALCULATION. !\Comment: !ANALOGY TO O2+QOOH_2 
TQC4H7OHIQ-I<=>IC4KETIT+HO2                       +1.82900000E+010 +7.90000000E-001 +1.51000000E+004 !\Author: WARNING !\Ref: C ZHOU ESTIMATED SECOND-O2 ADDITION FROM F. GOLDSMITH CALCULATION. !\Comment: !ANALOGY TO O2+QOOH_2 
TQC4H7OHIQ-P<=>IC3H5COHQ+HO2                      +1.83000000E+010 +7.90000000E-001 +1.51000000E+004 !\Author: WARNING !\Ref: C ZHOU ESTIMATED SECOND-O2 ADDITION FROM F. GOLDSMITH CALCULATION. !\Comment: !ANALOGY TO O2+QOOH_2 
TQC4H7OHIQ-P<=>CH2CQCOHQ+CH3                      +5.38000000E+011 +7.00000000E-002 +2.48000000E+004 !\Author: WARNING !\Ref: C ZHOU ESTIMATED SECOND-O2 ADDITION FROM F. GOLDSMITH CALCULATION. !\Comment: !ANALOGY TO O2+QOOH_2 
TQC4H7OHIQ-P=>IC3H5Q+HOCHO+OH                     +5.38000000E+011 +7.00000000E-002 +2.48000000E+004 !\Author: WARNING !\Ref: C ZHOU ESTIMATED SECOND-O2 ADDITION FROM F. GOLDSMITH CALCULATION. !\Comment: !ANALOGY TO O2+QOOH_2 
TQC4H7OHIQ-P<=>COHQCYC(COC)+OH                    +2.28000000E+008 +1.29000000E+000 +9.89000000E+003 !\Author: WARNING !\Ref: C ZHOU ESTIMATED SECOND-O2 ADDITION FROM F. GOLDSMITH CALCULATION. !\Comment: !ANALOGY TO O2+QOOH_2 
TQC4H7OHIQ-P<=>QCYC(CCOC)OH+OH                    +4.58000000E+015 -1.08000000E+000 +1.84400000E+004 !\Author: WARNING !\Ref: C ZHOU ESTIMATED SECOND-O2 ADDITION FROM F. GOLDSMITH CALCULATION. !\Comment: !ANALOGY TO O2+QOOH_2 
IQC4H7OHTQ-P=>OH+CH2O+CH2COHCH2OOH                +1.20000000E+010 +3.50000000E-001 +1.57000000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
IQC4H7OHTQ-P<=>OH+IC4H6Q2-II                      +1.95000000E+010 +1.54000000E-001 +2.56120000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.53000000E+040 -9.91000000E+000 +3.26314000E+004 /
PLOG /                           +1.00000000E-001 +2.54000000E+037 -8.72000000E+000 +3.29095000E+004 /
PLOG /                           +1.00000000E+000 +1.12000000E+031 -6.53000000E+000 +3.18066000E+004 /
PLOG /                           +1.00000000E+001 +1.98000000E+021 -3.34000000E+000 +2.91378000E+004 /
PLOG /                           +1.00000000E+002 +1.95000000E+010 +1.54000000E-001 +2.56120000E+004 /
IQC4H8OTQ-I=>OH+CH2O+C3KET21                      +1.20000000E+010 +3.50000000E-001 +1.57000000E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
IQC4H8OTQ-I<=>CH3+CO(CH2OOH)2                     +2.74000000E+013 +2.40000000E-001 +2.98300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!===========================================================================================================
!\SUBSPECIES: IC4KETITIC3H5COHQ\CH2CQCOHQ\IC3H5Q\COHQCYC(COC)\QCYC(CCOC)OH\HOCOCQ(CH3)2\CH2COHCH2OOH\IC4H6Q2-II\CO(CH2OOH)2\CHOC(CH3)OHCH2Q
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: KHP_HOMOLYTIC_FISSION
!___________________________________________________________________________________________________________ 
IC3H5COHQ=>HOCHO+C3H5-T+OH                        +1.59000000E+020 -1.50000000E+000 +4.28794600E+004 !\Author: WARNING !\Ref: C ZHOU ESTIMATED SECOND-O2 ADDITION FROM F. GOLDSMITH CALCULATION. !\Comment: !ANALOGY TO O2+QOOH_2 
CH2CQCOHQ=>HOCHO+CH2CO+2OH                        +1.59000000E+020 -1.50000000E+000 +4.28794600E+004 !\Author: WARNING !\Ref: C ZHOU ESTIMATED SECOND-O2 ADDITION FROM F. GOLDSMITH CALCULATION. !\Comment: !ANALOGY TO O2+QOOH_2 
CH2CQCOHQ=>HCO+CH2CO+3OH                          +1.59000000E+020 -1.50000000E+000 +4.28794600E+004 !\Author: WARNING !\Ref: C ZHOU ESTIMATED SECOND-O2 ADDITION FROM F. GOLDSMITH CALCULATION. !\Comment: !ANALOGY TO O2+QOOH_2 
IC3H5Q=>CH2CO+CH3+OH                              +1.59000000E+020 -1.50000000E+000 +4.28794600E+004 !\Author: WARNING !\Ref: C ZHOU ESTIMATED SECOND-O2 ADDITION FROM F. GOLDSMITH CALCULATION. !\Comment: !ANALOGY TO O2+QOOH_2 
COHQCYC(COC)=>HOCHO+CH2O+C2H3+OH                  +1.59000000E+020 -1.50000000E+000 +4.28794600E+004 !\Author: WARNING !\Ref: C ZHOU ESTIMATED SECOND-O2 ADDITION FROM F. GOLDSMITH CALCULATION. !\Comment: !ANALOGY TO O2+QOOH_2 
QCYC(CCOC)OH=>HOCHO+CH2CO+CH3+OH                  +1.59000000E+020 -1.50000000E+000 +4.28794600E+004 !\Author: WARNING !\Ref: C ZHOU ESTIMATED SECOND-O2 ADDITION FROM F. GOLDSMITH CALCULATION. !\Comment: !ANALOGY TO O2+QOOH_2 
HOCOCQ(CH3)2=>CO+CH3COCH3+2OH                     +1.59000000E+020 -1.50000000E+000 +4.28794600E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
IC4H6Q2-II=>OH+CH2O+HO2+C3H4-A                    +1.59000000E+020 -1.50000000E+000 +4.28794600E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
CO(CH2OOH)2=>2OH+2CH2O+CO                         +1.59000000E+020 -1.50000000E+000 +4.28794600E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
CHOC(CH3)OHCH2Q=>OH+CH2O+H+CH3COCHO               +1.59000000E+020 -1.50000000E+000 +4.28794600E+004 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
CH3COCHO+OH=>2CO+CH3+H2O                          +6.13299480E+004 +2.65419000E+000 -4.58640000E+003 !\Author: !\Ref !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
IC4KETIT+OH<=>TC3H6O2HCO+H2O                      +6.13299480E+004 +2.65419000E+000 -4.58640000E+003 !\Author: WARNING !\Ref: C ZHOU ESTIMATED SECOND-O2 ADDITION FROM F. GOLDSMITH CALCULATION. !\Comment: !ANALOGY TO O2+QOOH_2 
IC4KETIT+HO2<=>TC3H6O2HCO+H2O2                    +1.17730000E-004 +4.91966000E+000 +3.68427440E+003 !\Author: WARNING !\Ref: C ZHOU ESTIMATED SECOND-O2 ADDITION FROM F. GOLDSMITH CALCULATION. !\Comment: !ANALOGY TO O2+QOOH_2 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
TC3H6O2HCO=>CH3COCH3+CO+OH                        +1.27800000E+020 -1.89000000E+000 +3.44600000E+004 !\Author: WARNING !\Ref: C ZHOU ESTIMATED SECOND-O2 ADDITION FROM F. GOLDSMITH CALCULATION. !\Comment: !ANALOGY TO O2+QOOH_2 
!===========================================================================================================
!\ENDSUBSPECIES: IC4KETITIC3H5COHQ\CH2CQCOHQ\IC3H5Q\COHQCYC(COC)\QCYC(CCOC)OH\HOCOCQ(CH3)2\CH2COHCH2OOH\IC4H6Q2-II\CO(CH2OOH)2\CHOC(CH3)OHCH2Q
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: C2CY(COC)OHCCY(CCO)COH\CCY(CCO)COH\CCY(CCOC)OH
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTIONLUMPED
!___________________________________________________________________________________________________________ 
C2CY(COC)OH+OH=>IC3H6CO+OH+H2O                    +2.26000000E+003 +2.73000000E+000 -4.68800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2CY(COC)OH+HO2=>IC3H6CO+OH+H2O2                  +8.60000000E+000 +3.46000000E+000 +9.73232600E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CCY(CCO)COH+OH=>IC3H5CHO+OH+H2O                   +5.66000000E+002 +2.93000000E+000 -4.03940000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CCY(CCO)COH+HO2=>IC3H5CHO+OH+H2O2                 +1.81000000E-001 +3.98000000E+000 +9.05670000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CCY(CCO)COH+OH=>PC3H4OH-2+CH2O+H2O                +1.26000000E+003 +2.97000000E+000 -2.66060000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CCY(CCO)COH+HO2=>PC3H4OH-2+CH2O+H2O2              +1.40000000E-005 +5.26000000E+000 +8.26790000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CCY(CCOC)OH+OH=>CH2O+SC3H4OH+H2O                  +5.66000000E+002 +2.93000000E+000 -4.03940000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CCY(CCOC)OH+HO2=>CH2O+SC3H4OH+H2O2                +1.81000000E-001 +3.98000000E+000 +9.05670000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: C2CY(COC)OHCCY(CCO)COH\CCY(CCO)COH\CCY(CCOC)OH
!===========================================================================================================
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: IC4H9OH
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: H15DE2M
!\MECHCOMMENTS: OTHER IC4H7O DECOMPOSITIONS ARE IN THE IC4H8 MECAHNISM
!\MECHCOMMENTS: IC4H8OH HAS NOT CONSUMPTION PATHWAYS, KPS, 12 / 05 / 2016
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
IC4H7+IC4H7<=>C3H4-A+AC5H10                       +1.31000000E+054 -1.29950000E+001 +1.67420000E+004 !\Author: NL !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +3.90000000E-002 +3.76000000E+065 -1.59350000E+001 +2.02510000E+004 /
PLOG /                           +7.80000000E-002 +8.65000000E+058 -1.44900000E+001 +1.85660000E+004 /
PLOG /                           +1.56000000E-001 +1.31000000E+054 -1.29950000E+001 +1.67420000E+004 /
IC4H7+IC4H7<=>H15DE25DM                           +1.25000000E+034 -6.32000000E+000 +9.78632700E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +7.99000000E-002 +1.80000000E+055 -1.26190000E+001 +2.02679640E+004 /
PLOG /                           +1.86700000E-001 +1.53000000E+060 -1.40320000E+001 +2.32187840E+004 /
PLOG /                           +3.46700000E-001 +1.25000000E+034 -6.32000000E+000 +9.78632700E+003 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
H15DE25DM+H<=>H15DE25DM-S+H2                      +2.42000000E+003 +3.05000000E+000 +1.99500000E+003 !\Author: NL_C4H8-1 ANALOGY !\Ref: WARNING !\Comment: WARNING 
H15DE25DM+O2<=>H15DE25DM-S+HO2                    +4.88000000E+001 +3.48000000E+000 +3.48000000E+004 !\Author: NL_C4H8-1 ANALOGY !\Ref: WARNING !\Comment: WARNING 
H15DE25DM+O<=>H15DE25DM-S+OH                      +1.75000000E+011 +7.00000000E-001 +5.88400000E+003 !\Author: NL_C4H8-1 ANALOGY !\Ref: WARNING !\Comment: WARNING 
H15DE25DM+OH<=>H15DE25DM-S+H2O                    +7.76900000E+005 +2.20000000E+000 -4.37180000E+002 !\Author: NL_C4H8-1 ANALOGY !\Ref: WARNING !\Comment: WARNING 
H15DE25DM+HO2<=>H15DE25DM-S+H2O2                  +7.82000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: NL_C4H8-1 ANALOGY !\Ref: WARNING !\Comment: WARNING 
H15DE25DM+CH3<=>H15DE25DM-S+CH4                   +2.21000000E+000 +3.50000000E+000 +5.67500000E+003 !\Author: NL_C4H8-1 ANALOGY !\Ref: WARNING !\Comment: WARNING 
H15DE25DM+H<=>H15DE25DM-A+H2                      +2.24000000E+007 +2.04000000E+000 +2.84000000E+003 !\Author: NL_IC4H8 ANALOGY !\Ref: WARNING !\Comment: WARNING 
H15DE25DM+O2<=>H15DE25DM-A+HO2                    +1.03000000E+003 +3.19000000E+000 +3.79000000E+004 !\Author: NL_IC4H8 ANALOGY !\Ref: WARNING !\Comment: WARNING 
H15DE25DM+O<=>H15DE25DM-A+OH                      +1.93600000E-002 +4.54000000E+000 -2.46840000E+003 !\Author: NL_IC4H8 ANALOGY !\Ref: WARNING !\Comment: WARNING 
H15DE25DM+OH<=>H15DE25DM-A+H2O                    +4.20000000E+007 +1.77000000E+000 +2.71400000E+002 !\Author: NL_IC4H8 ANALOGY !\Ref: WARNING !\Comment: WARNING 
H15DE25DM+HO2<=>H15DE25DM-A+H2O2                  +2.92000000E-001 +4.12000000E+000 +1.28020000E+004 !\Author: NL_IC4H8 ANALOGY !\Ref: WARNING !\Comment: WARNING 
H15DE25DM+CH3<=>H15DE25DM-A+CH4                   +4.42000000E+000 +3.50000000E+000 +5.67500000E+003 !\Author: NL_IC4H8 ANALOGY !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C3H5-T+B13DE2M<=>H15DE25DM-S                      +7.07000000E+003 +2.48000000E+000 +6.13000000E+003 !\Author: WARNING !\Ref: C ZHOU ESTIMATEDG !\Comment: WARNING 
C3H4-A+AC5H9-D<=>H15DE25DM-A                      +2.84000000E+004 +2.50000000E+000 +8.84750000E+003 !\Author: WARNING !\Ref: C ZHOU CALCULATED AT QCISD(T)/ CBS / / M062X / 6-311++G(D,P) LEVEL OF THEORY !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+HO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
H15DE25DM-A+HO2<=>H15DE25DM-AO+OH                 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: NL !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
H15DE25DM-S+HO2<=>H15DE25DM-SO+OH                 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: NL !\Ref !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
H15DE25DM-AO=H15DE2M-T+CH2O                       +3.92000000E+028 -4.66100000E+000 +2.76430000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +6.06000000E+016 -2.10600000E+000 +2.04360000E+004 /
PLOG /                           +1.00000000E+000 +3.16000000E+017 -2.02600000E+000 +2.05880000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+022 -3.17600000E+000 +2.29930000E+004 /
PLOG /                           +1.00000000E+002 +3.92000000E+028 -4.66100000E+000 +2.76430000E+004 /
H15DE2M-T=C3H4-A+IC4H7                            +5.58000000E+045 -9.38000000E+000 +5.14900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.91000000E+073 -1.90800000E+001 +5.39700000E+004 /
PLOG /                           +1.00000000E-002 +2.81000000E+038 -8.55000000E+000 +3.84900000E+004 /
PLOG /                           +1.00000000E-001 +6.02000000E+062 -1.53900000E+001 +5.18600000E+004 /
PLOG /                           +1.00000000E-001 +7.08000000E+035 -7.62000000E+000 +3.80600000E+004 /
PLOG /                           +1.00000000E+000 +1.02000000E+057 -1.32900000E+001 +5.17300000E+004 /
PLOG /                           +1.00000000E+000 +3.89000000E+031 -6.14000000E+000 +3.72600000E+004 /
PLOG /                           +1.00000000E+001 +2.47000000E+051 -1.13100000E+001 +5.16400000E+004 /
PLOG /                           +1.00000000E+001 +7.17000000E+026 -4.50000000E+000 +3.63400000E+004 /
PLOG /                           +1.00000000E+002 +5.58000000E+045 -9.38000000E+000 +5.14900000E+004 /
PLOG /                           +1.00000000E+002 +7.36000000E+021 -2.79000000E+000 +3.53100000E+004 /
H15DE25DM-SO<=>IC3H5CHO+IC4H7                     +2.00000000E+012 +0.00000000E+000 +1.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
H15DE25DM-SO<=>C3H5-T+IC4H7CHO                    +2.00000000E+012 +0.00000000E+000 +1.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H7CHO+O2=>IC4H7CO+HO2                          +9.00000000E+013 +0.00000000E+000 +4.58740000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H7CHO+H=>IC4H7CO+H2                            +7.15000000E+005 +2.40000000E+000 +1.57700000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H7CHO+O=>IC4H7CO+OH                            +1.44000000E+007 +1.85800000E+000 +3.31100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H7CHO+OH=>IC4H7CO+H2O                          +3.73000000E+004 +2.60000000E+000 -2.30000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H7CHO+HO2=>IC4H7CO+H2O2                        +1.18000000E-004 +4.90000000E+000 +3.68400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H7CHO+CH3=>IC4H7CO+CH4                         +2.50000000E+000 +3.60000000E+000 +4.32900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H7CO=>CO+IC4H7                                 +1.37000000E+021 -2.17900000E+000 +3.94100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H7CHO+O2=>IC4H7CHO-A+HO2                       +1.03000000E+003 +3.19000000E+000 +3.79000000E+004 !\Author: NL_IC4H8 ANALOGY !\Ref: WARNING !\Comment: WARNING 
IC4H7CHO+H=>IC4H7CHO-A+H2                         +2.24000000E+007 +2.04000000E+000 +2.84000000E+003 !\Author: NL_IC4H8 ANALOGY !\Ref: WARNING !\Comment: WARNING 
IC4H7CHO+O=>IC4H7CHO-A+OH                         +1.93600000E-002 +4.54000000E+000 -2.46840000E+003 !\Author: NL_IC4H8 ANALOGY !\Ref: WARNING !\Comment: WARNING 
IC4H7CHO+OH=>IC4H7CHO-A+H2O                       +4.20000000E+007 +1.77000000E+000 +2.71400000E+002 !\Author: NL_IC4H8 ANALOGY !\Ref: WARNING !\Comment: WARNING 
IC4H7CHO+HO2=>IC4H7CHO-A+H2O2                     +2.92000000E-001 +4.12000000E+000 +1.28020000E+004 !\Author: NL_IC4H8 ANALOGY !\Ref: WARNING !\Comment: WARNING 
IC4H7CHO+CH3=>IC4H7CHO-A+CH4                      +4.42000000E+000 +3.50000000E+000 +5.67500000E+003 !\Author: NL_IC4H8 ANALOGY !\Ref: WARNING !\Comment: WARNING 
IC4H7CHO-A=>C3H4-A+CH2CHO                         +1.25800000E+011 +1.22866000E+000 +5.67255774E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!===========================================================================================================
!\SUBSPECIES: IC4H7OH
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
IC4H7+OH<=>IC4H7OH                                +3.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
IC4H7O+H<=>IC4H7OH                                +4.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ANALOGY WITH C3H5-A+X -->PRODUCTS. LITERATURE VALUES !\Comment: WARNING 
IC4H6OH+H<=>IC4H7OH                               +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
CH2CCH2OH+CH3<=>IC4H7OH                           +3.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
IC4H7OH+O2<=>IC4H6OH+HO2                          +6.00000000E+013 +0.00000000E+000 +3.99000000E+004 !\Author: WARNING !\Ref: INGHAM,T.; WALKER,R.W.; WOOLFORD,R.E., SYMP. INT. COMBUST. PROC. 25, 767-774(1994) !\Comment: WARNING 
IC4H7OH+OH<=>IC4H6OH+H2O                          +1.26000000E+003 +2.97000000E+000 -2.66059300E+003 !\Author: WARNING !\Ref: WARNING !\Comment: ANALOGY TO ALPHA-POSITION ABSTRACTION BY OH AND HO2 FROM N-BUTANOL 
IC4H7OH+HO2<=>IC4H6OH+H2O2                        +1.45000000E-005 +5.26000000E+000 +8.26790700E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H6OH+H2<=>IC4H7OH+H                            +2.16000000E+004 +2.38000000E+000 +1.89900000E+004 !\Author: WARNING !\Ref: ANALOGY C3H5-A+X -->PRODUCTS !\Comment: WARNING 
IC4H6OH+CH2O<=>IC4H7OH+HCO                        +6.30000000E+008 +1.90000000E+000 +1.81900000E+004 !\Author: WARNING !\Ref: RATE CONSTANT ANALOGY TO C3H5-A+CH2O(X 5) !\Comment: WARNING 
IC4H6OH+IC4H8<=>IC4H7OH+IC4H7                     +4.70000000E+002 +3.30000000E+000 +1.98400000E+004 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
IC4H7O+H2<=>IC4H7OH+H                             +9.05000000E+006 +2.00000000E+000 +1.78300000E+004 !\Author: WARNING !\Ref: (TSANG / HAMPSON 86) X 5 !\Comment: WARNING 
IC4H7OH+HCO<=>IC4H7O+CH2O                         +3.02000000E+011 +0.00000000E+000 +1.81600000E+004 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ISOMERISATION
!___________________________________________________________________________________________________________ 
IC4H7O<=>IC4H6OH                                  +1.39100000E+011 +0.00000000E+000 +1.56000000E+004 !\Author: WARNING !\Ref: EA<=>8.6+7(RING STRAIN+EABS OF PRIMARY H BY RO) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C3H4-A+CH2OH<=>IC4H6OH                            +1.00000000E+011 +0.00000000E+000 +9.20000000E+003 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+HO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
IC4H6OH+HO2=>CH2CCH2OH+CH2O+OH                    +1.44600000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONH
!___________________________________________________________________________________________________________ 
IC4H7OH+H<=>IC4H8OH                               +1.00000000E+013 +0.00000000E+000 +1.20000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH IC4H9 -->IC4H8+H !\Comment: WARNING 
IC4H7OH+H=CH3+C3H5OH                                   6.26E+13    0.000    4500 !

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>RH+RH
!___________________________________________________________________________________________________________ 
IC4H7O+O2<=>IC3H5CHO+HO2                          +3.00000000E+010 +0.00000000E+000 +1.64900000E+003 !\Author: WARNING !\Ref: FROM BAULCH ET AL. J. PHYS. CHEM. REF. DATA, 21, 411--429, 1992 !\Comment: WARNING 
IC4H7O+HO2<=>IC3H5CHO+H2O2                        +3.00000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ANALOGY CH3O+X -->CH2O+HX !\Comment: WARNING 
IC4H7O+CH3<=>IC3H5CHO+CH4                         +2.40000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ANALOGY CH3O+X -->CH2O+HX !\Comment: WARNING 
IC4H7O+O<=>IC3H5CHO+OH                            +6.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ANALOGY CH3O+X -->CH2O+HX !\Comment: WARNING 
IC4H7O+OH<=>IC3H5CHO+H2O                          +1.81000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ANALOGY CH3O+X -->CH2O+HX !\Comment: WARNING 
IC4H7O+H<=>IC3H5CHO+H2                            +1.99000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ANALOGY CH3O+X -->CH2O+HX !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: IC4H7OH
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: IC3H6OHCHO
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTIONLUMPED
!___________________________________________________________________________________________________________ 
IC3H6OHCHO+OH=>TC3H6OH+CO+H2O                     +3.73000000E+004 +2.60000000E+000 -2.30000000E+003 !\Author: SP !\Ref: ABSTRACTIONS ALDEHYDIC H BY OH_RATE RULE KUKKADAPU1.LLNL.GOV !\Comment: WARNING 
IC3H6OHCHO+H=>TC3H6OH+CO+H2                       +8.66000000E+005 +2.30000000E+000 +1.42600000E+003 !\Author: WARNING !\Ref: J. MENDES, C-W ZHOU, AND H. J. CURRAN. JPCA, 2014, 118, 12089-12104. !\Comment: WARNING 
IC3H6OHCHO+HO2=>TC3H6OH+CO+H2O2                   +1.01000000E-004 +5.00000000E+000 +3.42900000E+003 !\Author: WARNING !\Ref: J. MENDES, C-W ZHOU, AND H. J. CURRAN. JPCA, 2014, 118, 12089-12104. !\Comment: WARNING 
IC3H6OHCHO+CH3=>TC3H6OH+CO+CH4                    +3.94000000E+000 +3.60000000E+000 +4.22300000E+003 !\Author: WARNING !\Ref: J. MENDES, C-W ZHOU, AND H. J. CURRAN. JPCA, 2014, 118, 12089-12104. !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: IC3H6OHCHO
!===========================================================================================================
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: H15DE2M
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C4H61-3
!\MECHCOMMENTS: CWZ HAS UPDATED ALL OF THE C4H61-3 SUBMECH CHANGES FIRST ADOPTED INTO MASTER_MECHANISM 16_17.MECH, TRANSPORT PROPERTIES WERE GENERATED QUICKLY BASED ON SIMILARLY SIZED RADICALS,
!\MECHCOMMENTS: A CONSISTENT SET OF TRANSPORT DATA WILL HAVE TO BE GENERATED AT SOME STAGE
!\MECHCOMMENTS: KPS, 22 / 07 / 2015 TWO ABSTRACTION REACTIONS FROM C4H61-3 ARE DEFINED IN THE WRONG DIRECTION. THERE APPEARS TO BE MANY MANY INCONSITENCIES FOR THE DECOMPOSITION OF C4H7 AND C4H5 RADICALS: TREAT ALL OR NONE AS PRESSURE-DEPENDENT??
!\MECHCOMMENTS: C4H4O IS STILL BEING USED FOR FURAN /VINYL KETENE
!\MECHCOMMENTS: KPS 12 / 05 / 2016, THERE ARE DUPLICATE REACTIONS FOR C4H5-N+O2, COMMENTING OUT OLD HPL
!\MECHCOMMENTS: KPS, 03 / 08 / 2015 CH3CHCHCHO HAS BEEN RENAMED SC3H5CHO BY SOMEONE IN BASEMECH_2907_C7.INP THIS CHANGE MUST BE DISCUSSED.
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C5H8-2<=>CH3+C4H5-2  2.51189E+74	-17.21	106000 !HL,ANALOGY WITH C4H6-1<=>CH3+C3H3 A*0.5, EA+0.5KCAL, 2017 LOCKHART AUTHOR: SN+HL_CHANGE EA+1.5 KCAL
PLOG /	0.039473684	1.02087E+63	-14.64	89800  /
PLOG /	0.078947368	4.064155E+86	-20.97	113000 /
PLOG /	0.157894737	0.6745E+116	-28.77	142500 /
PLOG /	0.315789474	1.255945E+74	-17.21	106500 /

!C5H8-2<=>CH3+C4H5-2  2.51189E+74	-17.21	106000 !HL,ANALOGY WITH C4H6-1<=>CH3+C3H3, 2017 LOCKHART AUTHOR: SN+HL_CHANGE EA+1.5 KCAL
!PLOG /	0.039473684	2.04174E+63	-14.64	89300  /
!PLOG /	0.078947368	8.12831E+86	-20.97	112500 /
!PLOG /	0.157894737	1.349E+116	-28.77	142000 /
!PLOG /	0.315789474	2.51189E+74	-17.21	106000 /

B12DE3M<=>CH3+C4H5-2 8.91251E+95	-23.13	125200  !ANALOGY WITH C4H612<=>CH3+C3H3, A*2 EA-2KCAL, AUTHOR: HL LOCKHART2017 
PLOG /	0.039473684	3.4674E+127	-32.04	151300 /
PLOG /	0.078947368	3.6308E+148	-37.72	170400 /
PLOG /	0.157894737	1.3804E+156	-39.63	180200 /
PLOG /	0.315789474	8.91251E+95	-23.13	125200 /
!PLOG /	0.039473684	5.01187E+74	-17.49	106300 / 
!PLOG /	0.078947368	2.13796E+75	-17.56	107700 /
!PLOG /	0.157894737	4.0738E+75	-17.53	108900 /
!PLOG /	0.315789474	3.0903E+75	-17.39	110000 /

C4H5-N+H<=>C4H5-I+H                               +3.10000000E+026 -3.35000000E+000 +1.74230000E+004 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H5-N+H<=>C4H4+H2                                +1.50000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H5-I+H<=>C4H4+H2                                +3.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H5-I+H<=>C3H3+CH3                               +2.00000000E+013 +0.00000000E+000 +2.00000000E+003 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H5-I+H<=>C4H5-2+H                               +3.10000000E+026 -3.35000000E+000 +1.74230000E+004 !\Author: HL !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H5-N+OH<=>C4H4+H2O                              +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H5-I+OH<=>C4H4+H2O                              +4.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H5-N+HCO<=>C4H61-3+CO                              +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H5-I+HCO<=>C4H61-3+CO                              +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H5-N+HO2=>C2H3+CH2CO+OH                         +6.60000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C4H61-3<=>C2H3+C2H3                                  +1.34896000E+072 -1.65500000E+001 +1.43400000E+005 !\Author: !\Ref: JAMES P. A. LOCKHART, C. FRANKLIN GOLDSMITH, JOHN B. RANDAZZO1 AND ROBERT S. TRANTER  !\Comment: WARNING 
PLOG /                           +3.94737000E-002 +2.34423000E+074 -1.76900000E+001 +1.40800000E+005 /
PLOG /                           +7.89474000E-002 +2.29087000E+074 -1.75100000E+001 +1.42100000E+005 /
PLOG /                           +1.57895000E-001 +4.36516000E+073 -1.71300000E+001 +1.42900000E+005 /
PLOG /                           +3.15789000E-001 +1.34896000E+072 -1.65500000E+001 +1.43400000E+005 /
C4H61-3<=>C2H2+C2H4                                  +8.91251000E+051 -1.09100000E+001 +1.08700000E+005 !\Author:  !\Ref: JAMES P. A. LOCKHART, C. FRANKLIN GOLDSMITH, JOHN B. RANDAZZO1 AND ROBERT S. TRANTER !\Comment: WARNING 
PLOG /                           +3.94737000E-002 +1.41254000E+064 -1.45500000E+001 +1.14500000E+005 /
PLOG /                           +7.89474000E-002 +3.71535000E+060 -1.34700000E+001 +1.13000000E+005 /
PLOG /                           +1.57895000E-001 +3.01995000E+056 -1.22400000E+001 +1.11100000E+005 /
PLOG /                           +3.15789000E-001 +8.91251000E+051 -1.09100000E+001 +1.08700000E+005 /
!DONG 220624!C4H6<=>C4H6-2                                     +3.67513200E+067 -1.54800000E+001 +1.08500000E+005 !\Author:  !\Ref: A*1.8 JAMES P. A. LOCKHART, C. FRANKLIN GOLDSMITH, JOHN B. RANDAZZO1 AND ROBERT S. TRANTER !\Comment: WARNING 
!DONG 220624!PLOG /                           +3.94737000E-002 +4.21981400E+073 -1.74900000E+001 +1.08500000E+005 /
!DONG 220624!PLOG /                           +7.89474000E-002 +8.22758400E+071 -1.69100000E+001 +1.08700000E+005 /
!DONG 220624!PLOG /                           +1.57895000E-001 +17.1898740E+069 -1.63300000E+001 +1.09000000E+005 /
!DONG 220624!PLOG /                           +3.15789000E-001 +3.67513200E+067 -1.54800000E+001 +1.08500000E+005 /
C4H61-3=C4H6-2         2.88E+44       -8.39    103300.0     !\Author:HL, A*1.5  !\Ref: Huang C, Yang B, Zhang F., Combustion and Flame 2017;184:167-75 !\Comment: WARNING 
  PLOG/1.000E-02    14.505E+74      -18.12    105400.0/    ! fit btw. 800 and 2300 K with MAE of 4.8%, 10.8%
  PLOG/1.000E-01    2.49E+69      -16.18    105300.0/    ! fit btw. 800 and 2300 K with MAE of 7.3%, 14.7%
  PLOG/1.000E+00    2.145E+61      -13.61    104200.0/    ! fit btw. 800 and 2300 K with MAE of 7.7%, 14.5%
  PLOG/1.000E+01    14.61E+52      -11.05    103700.0/    ! fit btw. 800 and 2300 K with MAE of 6.1%, 11.8%
  PLOG/1.000E+02    2.88E+44       -8.39    103300.0/    ! fit btw. 800 and 2300 K with MAE of 8.1%, 16.1%

C4H61-3<=>CH3+C3H3                                   +4.07380000E+196 -5.00000000E+001 +2.41400000E+005 !\Author:  !\Ref: JAMES P. A. LOCKHART, C. FRANKLIN GOLDSMITH, JOHN B. RANDAZZO1 AND ROBERT S. TRANTER !\Comment: WARNING 
PLOG /                           +3.94737000E-002 +1.58490000E+148 -3.72400000E+001 +1.88500000E+005 /
PLOG /                           +7.89474000E-002 +8.91250000E+159 -4.03200000E+001 +2.01300000E+005 /
PLOG /                           +1.57895000E-001 +5.24810000E+196 -5.00000000E+001 +2.43600000E+005 /
PLOG /                           +3.15789000E-001 +4.07380000E+196 -5.00000000E+001 +2.41400000E+005 /
C4H61-3=>C2H2+C2H3+H                                 +1.47911000E+070 -1.60800000E+001 +1.41800000E+005 !\Author:  !\Ref: JAMES P. A. LOCKHART, C. FRANKLIN GOLDSMITH, JOHN B. RANDAZZO1 AND ROBERT S. TRANTER !\Comment: WARNING 
PLOG /                           +3.94737000E-002 +5.88844000E+072 -1.73300000E+001 +1.39100000E+005 /
PLOG /                           +7.89474000E-002 +4.36516000E+072 -1.71100000E+001 +1.40400000E+005 /
PLOG /                           +1.57895000E-001 +6.16595000E+071 -1.67000000E+001 +1.41400000E+005 /
PLOG /                           +3.15789000E-001 +1.47911000E+070 -1.60800000E+001 +1.41800000E+005 /
C4H61-3=>C4H4+H+H                                    +1.41254000E+067 -1.48700000E+001 +1.32300000E+005 !\Author:  !\Ref: JAMES P. A. LOCKHART, C. FRANKLIN GOLDSMITH, JOHN B. RANDAZZO1 AND ROBERT S. TRANTER !\Comment: WARNING 
PLOG /                           +3.94737000E-002 +4.46684000E+073 -1.71100000E+001 +1.32500000E+005 /
PLOG /                           +7.89474000E-002 +1.54882000E+072 -1.65500000E+001 +1.33000000E+005 /
PLOG /                           +1.57895000E-001 +1.09648000E+070 -1.58100000E+001 +1.33000000E+005 /
PLOG /                           +3.15789000E-001 +1.41254000E+067 -1.48700000E+001 +1.32300000E+005 /
C3H3+CH3=C4H6-2                                   +8.72000000E+006 +1.62000000E+000 +9.65500000E+003 !\Author: HL !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +3.94700000E-002 +1.10000000E+047 -1.06600000E+001 +1.50200000E+004 /
PLOG /                           +7.89500000E-002 +7.04000000E+044 -9.94000000E+000 +1.49900000E+004 /
PLOG /                           +1.57900000E-001 +7.20000000E+042 -9.28000000E+000 +1.50800000E+004 /
PLOG /                           +3.15800000E-001 +1.46000000E+040 -8.42000000E+000 +1.48800000E+004 /
PLOG /                           +1.00000000E+000 +8.26000000E+034 -6.78000000E+000 +1.42800000E+004 /
PLOG /                           +3.16200000E+000 +1.99000000E+029 -5.05000000E+000 +1.36600000E+004 /
PLOG /                           +1.00000000E+001 +1.15000000E+023 -3.15000000E+000 +1.29100000E+004 /
PLOG /                           +3.16200000E+001 +3.72000000E+015 -9.20000000E-001 +1.16100000E+004 /
PLOG /                           +1.00000000E+002 +8.72000000E+006 +1.62000000E+000 +9.65500000E+003 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: AROMATIC_GROWTH
!___________________________________________________________________________________________________________ 
C4H5-N+C2H3<=>C6H6+H2                             +1.84000000E-013 +7.07000000E+000 -3.61100000E+003 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C4H5-2+C2H<=>C3H3+C3H3                            +4.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H5-2+C2H2=C6H6+H                                +8.12000000E+019 -3.02900000E+000 +1.35850000E+004 !\Author: SN !\Ref: WARNING !\Comment: WARNING 
!DONG 220103!C2H3+C4H6<=>C6H9-A                                +2.88000000E+005 +2.13400000E+000 +7.12000000E+002 !\Author: WARNING !\Ref: BURAS, Z. J. ET AL, JPCA, 2015, !119, 7325-7338. !\Comment: WARNING 
!DONG 220103!PLOG /                           +1.12000000E-003 +8.34000000E+031 -6.61000000E+000 +8.05000000E+003 /
!DONG 220103!PLOG /                           +2.22000000E-003 +1.21000000E+032 -6.56000000E+000 +8.40000000E+003 /
!DONG 220103!PLOG /                           +8.02000000E-003 +5.90000000E+031 -6.28000000E+000 +9.03000000E+003 /
!DONG 220103!PLOG /                           +4.53000000E-002 +1.04000000E+027 -4.66000000E+000 +7.94000000E+003 /
!DONG 220103!PLOG /                           +3.25000000E-001 +1.15000000E+018 -1.84000000E+000 +4.85000000E+003 /
!DONG 220103!PLOG /                           +2.33000000E+000 +2.94000000E+011 +2.51000000E-001 +2.70500000E+003 /
!DONG 220103!PLOG /                           +1.31000000E+001 +3.92000000E+007 +1.46900000E+000 +1.42800000E+003 /
!DONG 220103!PLOG /                           +4.75000000E+001 +9.08000000E+005 +1.97900000E+000 +8.80000000E+002 /
!DONG 220103!PLOG /                           +9.41000000E+001 +2.88000000E+005 +2.13400000E+000 +7.12000000E+002 /

C2H3+C4H61-3<=>C6H9-A                                +2.88000000E+005 +2.13400000E+000 +7.12000000E+002 !A/2.0\Author: WARNING !\Ref: BURAS, Z. J. ET AL, JPCA, 2015, !119, 7325-7338. !\Comment: WARNING 
PLOG /                           +1.12000000E-003 +4.17000000E+031 -6.61000000E+000 +8.05000000E+003 /
PLOG /                           +2.22000000E-003 +0.60500000E+032 -6.56000000E+000 +8.40000000E+003 /
PLOG /                           +8.02000000E-003 +2.95000000E+031 -6.28000000E+000 +9.03000000E+003 /
PLOG /                           +4.53000000E-002 +0.52000000E+027 -4.66000000E+000 +7.94000000E+003 /
PLOG /                           +3.25000000E-001 +0.57500000E+018 -1.84000000E+000 +4.85000000E+003 /
PLOG /                           +2.33000000E+000 +1.47000000E+011 +2.51000000E-001 +2.70500000E+003 /
PLOG /                           +1.31000000E+001 +1.96000000E+007 +1.46900000E+000 +1.42800000E+003 /
PLOG /                           +4.75000000E+001 +4.54000000E+005 +1.97900000E+000 +8.80000000E+002 /
PLOG /                           +9.41000000E+001 +1.44000000E+005 +2.13400000E+000 +7.12000000E+002 /

C6H9-A<=>C6H8+H                                   +2.29000000E+006 +2.01700000E+000 +4.06640000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H9-A<=>CYHEXEN-4J                               +5.04100000E+008 +7.00000000E-001 +2.02460000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H9-A<=>CYPENTN-4MJ                              +5.24900000E+008 +8.46000000E-001 +1.92980000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0406!CYPENTN-4MJ<=>H+CYPENTN-4MTHNE                    +1.97200000E+007 +1.80200000E+000 +3.23040000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYHEXEN-4J<=>H+CYHEXDN13                          +7.48700000E+008 +1.39500000E+000 +3.31320000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYHEXEN-4J<=>H+CYHEXDN14                          +2.09700000E+009 +1.29900000E+000 +3.33940000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYPENTN-4MJ<=>CYPENTN-4M4J                        +5.26500000E-007 +5.63900000E+000 +2.45410000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYPENTN-4MJ<=>CYPENTN-4M3J                        +3.53700000E-016 +8.13800000E+000 +1.45830000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYPENTN-4M3J<=>C5H6+CH3                           +4.96100000E+011 +7.17000000E-001 +3.89620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYPENTN-4M4J<=>CYPENTN-4M3J                       +3.23900000E-008 +6.22400000E+000 +2.44810000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYC6H7=C6H6+H                                     +2.45000000E+036 -6.84000000E+000 +3.88030000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +2.51000000E+048 -1.23030000E+001 +3.29770000E+004 /
PLOG /                           +1.00000000E-002 +2.31000000E+055 -1.39640000E+001 +3.78970000E+004 /
PLOG /                           +1.00000000E-001 +1.72000000E+058 -1.43730000E+001 +4.17540000E+004 /
PLOG /                           +1.00000000E+000 +3.54000000E+056 -1.34430000E+001 +4.37940000E+004 /
PLOG /                           +1.00000000E+001 +5.31000000E+049 -1.10510000E+001 +4.32130000E+004 /
PLOG /                           +1.00000000E+002 +2.45000000E+036 -6.84000000E+000 +3.88030000E+004 /
CYC6H7+H=CYHEXDN13                                +7.70000000E+014 -3.10000000E-001 +4.35000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.00000000E+064 -1.50200000E+001 +2.38900000E+004 /
PLOG /                           +1.00000000E-002 +9.25000000E+039 -8.59000000E+000 +6.46600000E+003 /
PLOG /                           +1.00000000E-001 +7.00000000E+060 -1.38400000E+001 +2.48460000E+004 /
PLOG /                           +1.00000000E-001 +1.69000000E+034 -6.64000000E+000 +5.19300000E+003 /
PLOG /                           +1.00000000E+000 +5.00000000E+057 -1.27000000E+001 +2.59470000E+004 /
PLOG /                           +1.00000000E+000 +4.53000000E+029 -5.10000000E+000 +4.17200000E+003 /
PLOG /                           +1.00000000E+001 +8.40000000E+052 -1.11300000E+001 +2.59100000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+025 -3.68000000E+000 +3.14300000E+003 /
PLOG /                           +1.00000000E+002 +3.45000000E+044 -8.62000000E+000 +2.28420000E+004 /
PLOG /                           +1.00000000E+002 +5.50000000E+020 -2.16000000E+000 +1.91700000E+003 /
PLOG /                           +1.00000000E+003 +7.70000000E+014 -3.10000000E-001 +4.35000000E+002 /
PLOG /                           +1.00000000E+003 +4.57000000E+011 +6.50000000E-001 -6.10000000E+002 /
CYC6H7+H=CYHEXDN14                                +7.70000000E+014 -3.10000000E-001 +4.35000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.00000000E+064 -1.50200000E+001 +2.38900000E+004 /
PLOG /                           +1.00000000E-002 +9.25000000E+039 -8.59000000E+000 +6.46600000E+003 /
PLOG /                           +1.00000000E-001 +7.00000000E+060 -1.38400000E+001 +2.48460000E+004 /
PLOG /                           +1.00000000E-001 +1.69000000E+034 -6.64000000E+000 +5.19300000E+003 /
PLOG /                           +1.00000000E+000 +5.00000000E+057 -1.27000000E+001 +2.59470000E+004 /
PLOG /                           +1.00000000E+000 +4.53000000E+029 -5.10000000E+000 +4.17200000E+003 /
PLOG /                           +1.00000000E+001 +8.40000000E+052 -1.11300000E+001 +2.59100000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+025 -3.68000000E+000 +3.14300000E+003 /
PLOG /                           +1.00000000E+002 +3.45000000E+044 -8.62000000E+000 +2.28420000E+004 /
PLOG /                           +1.00000000E+002 +5.50000000E+020 -2.16000000E+000 +1.91700000E+003 /
PLOG /                           +1.00000000E+003 +7.70000000E+014 -3.10000000E-001 +4.35000000E+002 /
PLOG /                           +1.00000000E+003 +4.57000000E+011 +6.50000000E-001 -6.10000000E+002 /
CYHEXDN13=C6H6+H2                                 +5.66000000E+014 +0.00000000E+000 +6.53100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYHEXDN14=C6H6+H2                                 +1.15000000E+012 +0.00000000E+000 +4.28400000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYHEXDN13+CH3=CYC6H7+CH4                          +3.49000000E+000 +3.49400000E+000 +1.40000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYHEXDN13+H=CYC6H7+H2                             +2.16000000E+005 +2.66600000E+000 +1.40000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYHEXDN14+H=CYC6H7+H2                             +2.16000000E+005 +2.66600000E+000 +1.40000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYHEXDN14+CH3=CYC6H7+CH4                          +3.49000000E+000 +3.49400000E+000 +1.40000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

C6H8+H=C6H7-2+H2                                  +9.92000000E+006 +2.32000000E+000 +1.15660000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H8+O2<=>C6H7-2+HO2                              +2.00000000E+013 +0.00000000E+000 +4.98000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H8+O<=>C6H7-2+OH                                +1.44000000E+005 +2.61000000E+000 +3.02900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H8+OH<=>C6H7-2+H2O                              +1.54000000E+006 +2.07000000E+000 +1.44058000E+003 !\Author: WARNING !\Ref: VASU ET AL. J. PHYS. CHEM. A, 2010, 114, 8312-8318 !\Comment: WARNING 
DUP
C6H8+OH<=>C6H7-2+H2O                              +1.62000000E+006 +1.99000000E+000 +2.14993000E+003 !\Author: WARNING !\Ref: VASU ET AL. J. PHYS. CHEM. A, 2010, 114, 8312-8318 !\Comment: WARNING 
DUP
C6H8+HO2<=>C6H7-2+H2O2                            +7.51000000E-003 +4.52000000E+000 +1.47100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H7-2+O2<=>CVCCVCCJVO+CH2O                       +2.19000000E+009 +1.08000000E+000 +1.24200000E+004 !\Author: WARNING !\Ref: RUTZ ET AL., JPCA, 2011, 115, 1018-1026. !\Comment: C4H5-I+O2<=>C2H3CO+CH2O
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: H ADDITION
!___________________________________________________________________________________________________________ 
C4H61-3+H=C4H612+H                                   1.65E+05        3.03    19480.0       !HL ADDED
  PLOG/1.000E-02    2.42E+31       -5.38    22880.0/
  PLOG/1.000E-02    1.24E+14        0.21    16780.0/                            ! fit btw. 298 and 2200 K with MAE of 0.1%, 0.2%
  PLOG/1.000E-01    7.55E+32       -5.49    25990.0/
  PLOG/1.000E-01    4.47E+13        0.37    17740.0/                            ! fit btw. 298 and 2200 K with MAE of 0.6%, 1.5%
  PLOG/1.000E+00    9.88E+32       -5.24    29210.0/
  PLOG/1.000E+00    1.38E+10        1.38    17670.0/                            ! fit btw. 298 and 2200 K with MAE of 0.6%, 1.3%
  PLOG/1.000E+01    9.83E+32       -5.02    33140.0/
  PLOG/1.000E+01    1.27E+07        2.20    17650.0/                            ! fit btw. 298 and 2200 K with MAE of 1.6%, 5.4%
!  !PLOG/1.000E+02    -6.80E+10       -2.05    4725.0/
!  !PLOG/1.000E+02    1.12E+00        4.47    15380.0/                            ! fit btw. 298 and 2200 K with MAE of 47473.5%, 484553.5%
  PLOG/1.000E+02    1.65E+05        3.03    19480.0/                            ! fit btw. 298 and 2200 K with MAE of 45.0%, 124.6%
C4H61-3+H=C4H6-2+H                                   3.36E+09        1.34    27610.0        !HL ADDED
  PLOG/1.000E-02    1.46E+81      -22.07    42300.0/
  PLOG/1.000E-02    2.04E+09        1.01    16830.0/                            ! fit btw. 298 and 2200 K with MAE of 0.1%, 0.3%
  PLOG/1.000E-01    2.94E+35       -7.08    28660.0/
  PLOG/1.000E-01    4.71E+11        0.38    19510.0/                            ! fit btw. 298 and 2200 K with MAE of 0.1%, 0.4%
  PLOG/1.000E+00    5.86E+29       -4.92    30010.0/
  PLOG/1.000E+00    1.13E+09        1.17    20810.0/                            ! fit btw. 298 and 2200 K with MAE of 0.6%, 1.7%
  PLOG/1.000E+01    9.24E+32       -5.59    36220.0/
  PLOG/1.000E+01    5.63E+06        1.86    22510.0/                            ! fit btw. 298 and 2200 K with MAE of 0.9%, 3.1%
  PLOG/1.000E+02    1.41E+31       -4.82    40960.0/
  PLOG/1.000E+02    1.89E+03        2.62    23060.0/                            ! fit btw. 298 and 2200 K with MAE of 4.1%, 14.3%
C4H71-3=C4H61-3+H                                    +1.33000000E+052 -1.07500000E+001 +7.43500000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.38000000E+068 -1.66600000E+001 +7.06100000E+004 /
PLOG /                           +1.00000000E-002 +4.87000000E+041 -9.36000000E+000 +5.49300000E+004 /
PLOG /                           +1.00000000E-001 +2.04000000E+065 -1.54700000E+001 +7.18500000E+004 /
PLOG /                           +1.00000000E-001 +2.09000000E+035 -7.16000000E+000 +5.36700000E+004 /
PLOG /                           +1.00000000E+000 +1.25000000E+062 -1.42000000E+001 +7.32000000E+004 /
PLOG /                           +1.00000000E+000 +7.81000000E+029 -5.28000000E+000 +5.26000000E+004 /
PLOG /                           +1.00000000E+001 +1.06000000E+060 -1.32700000E+001 +7.57400000E+004 /
PLOG /                           +1.00000000E+001 +5.46000000E+024 -3.52000000E+000 +5.15500000E+004 /
PLOG /                           +1.00000000E+002 +1.33000000E+052 -1.07500000E+001 +7.43500000E+004 /
PLOG /                           +1.00000000E+002 +1.59000000E+019 -1.67000000E+000 +5.02200000E+004 /
C4H71-4=C4H61-3+H                                    +1.91000000E+029 -4.64000000E+000 +4.59600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.57000000E+061 -1.53400000E+001 +5.35100000E+004 /
PLOG /                           +1.00000000E-002 +2.48000000E+031 -6.49000000E+000 +3.86300000E+004 /
PLOG /                           +1.00000000E-001 +2.61000000E+055 -1.30500000E+001 +5.32000000E+004 /
PLOG /                           +1.00000000E-001 +1.57000000E+029 -5.70000000E+000 +3.82900000E+004 /
PLOG /                           +1.00000000E+000 +1.85000000E+050 -1.12100000E+001 +5.32900000E+004 /
PLOG /                           +1.00000000E+000 +1.20000000E+024 -3.93000000E+000 +3.72900000E+004 /
PLOG /                           +1.00000000E+001 +5.76000000E+044 -9.32000000E+000 +5.31400000E+004 /
PLOG /                           +1.00000000E+001 +2.75000000E+019 -2.34000000E+000 +3.63600000E+004 /
PLOG /                           +1.00000000E+002 +1.91000000E+029 -4.64000000E+000 +4.59600000E+004 /
PLOG /                           +1.00000000E+002 +6.41000000E+020 -2.84000000E+000 +3.65400000E+004 /
C4H61-3+H=C2H4+C2H3                                  +1.34000000E+034 -5.15000000E+000 +3.53200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.35000000E+073 -1.55800000E+001 +8.00800000E+004 /
PLOG /                           +1.00000000E-002 +1.20000000E+025 -3.06000000E+000 +1.63900000E+004 /
PLOG /                           +1.00000000E-001 +6.57000000E+040 -7.68000000E+000 +2.59300000E+004 /
PLOG /                           +1.00000000E-001 +1.04000000E+014 +2.40000000E-001 +1.38000000E+004 /
PLOG /                           +1.00000000E+000 +1.88000000E+040 -7.28000000E+000 +2.94200000E+004 /
PLOG /                           +1.00000000E+000 +1.19000000E+010 +1.38000000E+000 +1.36300000E+004 /
PLOG /                           +1.00000000E+001 +9.18000000E+035 -5.82000000E+000 +3.13600000E+004 /
PLOG /                           +1.00000000E+001 +1.16000000E+008 +1.82000000E+000 +1.37200000E+004 /
PLOG /                           +1.00000000E+002 +1.34000000E+034 -5.15000000E+000 +3.53200000E+004 /
PLOG /                           +1.00000000E+002 +2.83000000E+000 +4.12000000E+000 +1.25000000E+004 /
C4H61-3+H=C3H4-A+CH3                             8.7800E+03	3.26	2.7130E+04 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.56000000E+022 -2.98000000E+000 +2.03700000E+004 /
PLOG /                           +1.00000000E-002 +3.73000000E+022 -2.49000000E+000 +3.01300000E+004 /
PLOG /                           +1.00000000E-001 +7.30000000E+076 -1.69700000E+001 +9.16500000E+004 /
PLOG /                           +1.00000000E-001 +1.65000000E+025 -3.50000000E+000 +2.40600000E+004 /
PLOG /                           +1.00000000E+000 +1.87000000E+029 -4.50000000E+000 +2.96400000E+004 /
PLOG /                           +1.00000000E+000 +1.17000000E+127 -4.01000000E+001 +4.21400000E+004 /
PLOG /                           +1.00000000E+001 +1.32000000E+041 -7.75000000E+000 +4.08700000E+004 /
PLOG /                           +1.00000000E+001 +3.39000000E+005 +2.32000000E+000 +2.20800000E+004 /
!PLOG /                           +1.00000000E+002 -1.48000000E+010 +8.80000000E-001 +2.51400000E+004 /
!PLOG /                           +1.00000000E+002 +5.78000000E-002 +4.68000000E+000 +2.23300000E+004 /
PLOG /                           +1.00000000E+002 8.7800E+03	3.26	2.7130E+04 / !FIT BTW. 500 AND 3000 K WITH MAE OF 10%
H+C4H61-3=CH3+C3H4-P                                 +4.00000000E+012 +0.00000000E+000 +7.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H61-3+H=C2H5+C2H2                                  +3.40000000E+011 +9.70000000E-001 +3.09700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.75000000E+023 -3.41000000E+000 +2.18800000E+004 /
PLOG /                           +1.00000000E-002 +1.37000000E+019 -1.58000000E+000 +2.73200000E+004 /
PLOG /                           +1.00000000E-001 +2.77000000E+025 -3.64000000E+000 +2.50700000E+004 /
PLOG /                           +1.00000000E-001 +9.24000000E+040 -7.36000000E+000 +5.39700000E+004 /
PLOG /                           +1.00000000E+000 +7.47000000E+026 -3.85000000E+000 +2.92600000E+004 /
PLOG /                           +1.00000000E+000 +5.40000000E+017 -4.02000000E+000 +1.60300000E+004 /
PLOG /                           +1.00000000E+001 +5.66000000E+039 -7.44000000E+000 +4.04200000E+004 /
PLOG /                           +1.00000000E+001 +3.80000000E+007 +1.73000000E+000 +2.39400000E+004 /
PLOG /                           +1.00000000E+002 +3.40000000E+011 +9.70000000E-001 +3.09700000E+004 /
PLOG /                           +1.00000000E+002 +9.49000000E+004 -5.00000000E-001 +1.56300000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
!HL CHANGED
!C4H6+H=C4H5-N+H2                                  +3.47000000E+005 +2.78700000E+000 +1.35730000E+004 !\Author: SD !\Ref: Li Y, ET AL. J Phys Chem A 2017;121:7433  45. !\Comment: WARNING 
C4H61-3+H=C4H5-N+H2	3.80E+07	2.02E+00	1.54E+04 !\Author: HL, ANALOGY WITH C5H81-3+H<=>C5H7-13-1+H2 !\Ref: WARNING !\Comment: WARNING 

!C4H6+H=C4H5-I+H2                                  +9.92000000E+006 +2.32000000E+000 +1.15660000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H61-3+H=C4H5-I+H2	5.98E+08	1.62E+00	1.29E+04 !\Author: HL, ANALOGY WITH C5H81-3+H<=>C5H7-13-2+H2 A !\Ref: WARNING !\Comment: WARNING


C4H61-3+O<=>C4H5-N+OH                                +2.40000000E+011 +7.00000000E-001 +8.95910000E+003 !\Author: ANALOGY TO PROPENE !\Ref: WARNING !\Comment: WARNING 

!DONG 0916!C4H6+OH<=>C4H5-N+H2O                              +1.53000000E+006 +2.07000000E+000 +1.90553000E+003 !\Author: WARNING !\Ref: VASU ET AL. J. PHYS. CHEM. A, 2010, 114, 8312-8318 !\Comment: WARNING 
!DONG 0916!DUP
!DONG 0916!C4H6+OH<=>C4H5-N+H2O                              +3.49000000E+006 +2.04000000E+000 +4.29192000E+003 !\Author: WARNING !\Ref: VASU ET AL. J. PHYS. CHEM. A, 2010, 114, 8312-8318 !\Comment: WARNING 
!DONG 0916!DUP

C4H61-3+OH<=>C4H5-N+H2O                              +5.82851806E+04 +2.53024498E+00 +2.42189189E+03 ! Mean Error = 3.32  Max Error = 7.48 !50% LOWER AT 650K \Author: SD !\Ref: Bai J, Cavallotti C, Zhou C W. Combustion and Flame, 2020, 221: 228-240. !\Comment:
DUP 
C4H61-3+OH<=>C4H5-N+H2O                              +1.91915437E+03 +2.92921243E+00 +2.50984927E+03 ! Mean Error = 3.33  Max Error = 7.65 !50% LOWER AT 650K \Author: SD !\Ref: Bai J, Cavallotti C, Zhou C W. Combustion and Flame, 2020, 221: 228-240. !\Comment:
DUP 

!C4H6+HO2<=>C4H5-N+H2O2                            +1.91000000E+003 +3.05900000E+000 +2.07986000E+004 !\Author: ANALOGY TO PROPENE FROM AB INITIO CALCULATION CARRIED OUT BY JORGE MENDES. !\Ref: WARNING !\Comment: UNPUBLISHED 
!C4H6+HO2<=>C4H5-I+H2O2                            +7.51000000E-003 +4.52000000E+000 +1.47100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

C4H61-3+HO2<=>C4H5-I+H2O2         +9.4564405E+003 +2.8338400E+000 +2.1495841E+004  !\Author: SD !\Ref: Zhu, Yuxiang, and Chong-Wen Zhou. Combustion and Flame 221 (2020): 241-255. !\Comment: WARNING 
C4H61-3+HO2<=>C4H5-N+H2O2         +1.9728460E+001 +3.5406700E+000 +2.3341350E+004  !\Author: SD !\Ref: Zhu, Yuxiang, and Chong-Wen Zhou. Combustion and Flame 221 (2020): 241-255. !\Comment: WARNING 
DUP
C4H61-3+HO2<=>C4H5-N+H2O2         +3.6375040E+001 +3.5711300E+000 +2.4286041E+004  !\Author: SD !\Ref: Zhu, Yuxiang, and Chong-Wen Zhou. Combustion and Flame 221 (2020): 241-255. !\Comment: WARNING 
DUP

C4H61-3+O2<=>C4H5-N+HO2                              +4.00000000E+013 +0.00000000E+000 +6.22700000E+004 !\Author: ANALOGY FROM PROPENE !\Ref: WARNING !\Comment: WARNING 
C4H61-3+CH3=C4H5-N+CH4                               +3.77000000E+003 +2.86300000E+000 +1.38530000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H61-3+C2H3<=>C4H5-N+C2H4                           +3.43700000E-004 +4.73200000E+000 +6.57900000E+000 !\Author: WARNING !\Ref: BURAS ET AL. JPCA, 2015, 119, 7325-7338. !\Comment: WARNING 

C4H61-3+O2<=>C4H5-I+HO2                              +2.00000000E+013 +0.00000000E+000 +4.98000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H61-3+O<=>C4H5-I+OH                                +1.44000000E+005 +2.61000000E+000 +3.02900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!DONG 0916!C4H6+OH<=>C4H5-I+H2O                              +1.54000000E+006 +2.07000000E+000 +1.44058000E+003 !\Author: WARNING !\Ref: VASU ET AL. J. PHYS. CHEM. A, 2010, 114, 8312-8318 !\Comment: WARNING 
!DONG 0916!DUP
!DONG 0916!C4H6+OH<=>C4H5-I+H2O                              +1.62000000E+006 +1.99000000E+000 +2.14993000E+003 !\Author: WARNING !\Ref: VASU ET AL. J. PHYS. CHEM. A, 2010, 114, 8312-8318 !\Comment: WARNING 
!DONG 0916!DUP

!DONG 220623!C4H6+OH<=>C4H5-I+H2O                           +7.33209433E+04 +2.54879919E+00 +1.72000717E+03 ! Mean Error = 0.77  Max Error = 1.52 !40% LOWER AT 650K \Author: SD !\Ref: Bai J, Cavallotti C, Zhou C W. Combustion and Flame, 2020, 221: 228-240. !\Comment:
C4H61-3+OH<=>C4H5-I+H2O                           +3.66209433E+04 +2.54879919E+00 +1.72000717E+03 !A*0.5, Mean Error = 0.77  Max Error = 1.52 !40% LOWER AT 650K \Author: SD !\Ref: Bai J, Cavallotti C, Zhou C W. Combustion and Flame, 2020, 221: 228-240. !\Comment:

C4H61-3+CH3=C4H5-I+CH4                               +5.46000000E+004 +2.54700000E+000 +1.18580000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!C4H6+CH3=C4H5-I+CH4	2.00E+14	0	22800 !HIDAKA1996  HL ADDED

C4H61-3+C2H3<=>C4H5-I+C2H4                           +6.21000000E-004 +4.81400000E+000 +4.90200000E+000 !\Author: WARNING !\Ref: BURAS ET AL. JPCA, 2015, 119, 7325-7338. !\Comment: WARNING 
!DONG 0504!C4H6+HCO<=>C4H5-I+CH2O                            +5.16000000E+005 +2.25000000E+000 +1.67600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H61-3+CH2OH<=>C4H5-I+CH3OH                         +1.53000000E+001 +3.11000000E+000 +1.22100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H61-3+CH3O2<=>C4H5-I+CH3O2H                        +1.58000000E+003 +2.81000000E+000 +1.40500000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H61-3+C2H5<=>C4H5-I+C2H6                           +5.01000000E+010 +0.00000000E+000 +1.04000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ISOMERISATION
!___________________________________________________________________________________________________________ 
C4H5-I=C4H5-2                                   2.61E+20       -2.20    52360.0
!  PLOG/1.000E-02    -7.18E+21       -4.37    41590.0/
!  PLOG/1.000E-02    9.80E+11       -1.07    39240.0/                            ! fit btw. 298 and 1600 K with MAE of 55.9%, 203.0%
  PLOG/1.000E-02    5.85E+17       -2.75    43330.0/                            ! fit btw. 298 and 1600 K with MAE of 73.4%, 286.0%
  PLOG/1.000E-01    7.97E+29       -5.88    51870.0/
  PLOG/1.000E-01    3.79E-11      -17.90    -46590.0/                           ! fit btw. 298 and 1700 K with MAE of 35.9%, 106.6%
  PLOG/1.000E+00    3.66E+07        0.33    40460.0/
  PLOG/1.000E+00    4.53E+54      -12.70    67380.0/                            ! fit btw. 298 and 1800 K with MAE of 6.6%, 17.6%
  PLOG/1.000E+01    8.15E-34       11.88    21100.0/
  PLOG/1.000E+01    1.59E+45       -9.62    64430.0/                            ! fit btw. 298 and 2000 K with MAE of 13.6%, 38.3%
  PLOG/1.000E+02    3.44E+44       -9.04    68120.0/
  PLOG/1.000E+02    6.01E+08        0.48    43120.0/                            ! fit btw. 400 and 2000 K with MAE of 8.6%, 17.4%

C4H5-I=BUTA123TRIENE+H                                   1.96E+22       -2.74    60050.0
  PLOG/1.000E-02    9.50E+48      -11.73    68550.0/
  PLOG/1.000E-02    1.10E+23       -4.83    53420.0/                            ! fit btw. 300 and 1600 K with MAE of 2.9%, 7.1%
  PLOG/1.000E-01    8.19E+51      -12.19    72720.0/
  PLOG/1.000E-01    7.46E+37       -8.43    62270.0/                            ! fit btw. 298 and 1700 K with MAE of 3.5%, 19.5%
  PLOG/1.000E+00    1.68E+45       -9.92    69820.0/
  PLOG/1.000E+00    1.29E+34       -7.11    61300.0/                            ! fit btw. 298 and 1800 K with MAE of 1.6%, 4.0%
  PLOG/1.000E+01    2.78E+43       -9.08    70900.0/
  PLOG/1.000E+01    1.35E+29       -5.36    60400.0/                            ! fit btw. 298 and 2000 K with MAE of 1.4%, 4.8%
  PLOG/1.000E+02    5.19E+40       -7.99    72090.0/
  PLOG/1.000E+02    4.31E+23       -3.45    59360.0/                            ! fit btw. 298 and 2000 K with MAE of 2.8%, 7.9%

C4H5-I=C4H4+H                                   1.36E+22       -2.34    50350.0
  PLOG/1.000E-02    8.42E+63      -15.64    65570.0/
  PLOG/1.000E-02    1.53E+40       -8.83    52920.0/                            ! fit btw. 298 and 1600 K with MAE of 1.4%, 2.5%
  PLOG/1.000E-01    8.70E+59      -14.09    65760.0/
  PLOG/1.000E-01    2.84E+37       -7.84    52530.0/                            ! fit btw. 298 and 1700 K with MAE of 1.9%, 4.0%
  PLOG/1.000E+00    3.90E+56      -12.77    66510.0/
  PLOG/1.000E+00    1.33E+34       -6.66    51980.0/                            ! fit btw. 298 and 1800 K with MAE of 2.4%, 7.7%
  PLOG/1.000E+01    1.88E+53      -11.49    67580.0/
  PLOG/1.000E+01    1.57E+29       -4.95    51040.0/                            ! fit btw. 298 and 2000 K with MAE of 3.7%, 11.5%
  PLOG/1.000E+02    1.53E+49      -10.03    68490.0/
  PLOG/1.000E+02    2.76E+23       -2.99    49800.0/                            ! fit btw. 298 and 2000 K with MAE of 4.4%, 14.4%

C4H5-I=C2H3+C2H2                                   3.33E+22       -2.53    63940.0
  PLOG/1.000E-02    2.02E+134      -37.52    107500.0/
  PLOG/1.000E-02    4.16E+45      -10.94    63520.0/                            ! fit btw. 298 and 1600 K with MAE of 11.9%, 66.4%
  PLOG/1.000E-01    1.33E+73      -18.68    78910.0/
  PLOG/1.000E-01    4.12E+38       -8.45    62330.0/                            ! fit btw. 298 and 1700 K with MAE of 4.8%, 14.4%
  PLOG/1.000E+00    3.93E+68      -16.78    80330.0/
  PLOG/1.000E+00    1.43E+35       -7.04    63420.0/                            ! fit btw. 298 and 1800 K with MAE of 5.3%, 15.4%
  PLOG/1.000E+01    9.34E+66      -15.78    84440.0/
  PLOG/1.000E+01    1.35E+31       -5.53    64590.0/                            ! fit btw. 298 and 2000 K with MAE of 5.8%, 17.2%
  PLOG/1.000E+02    2.43E+43       -8.53    75970.0/
  PLOG/1.000E+02    6.98E+24       -4.66    59160.0/                            ! fit btw. 300 and 2000 K with MAE of 14.4%, 39.4%

C4H5-N=C4H5-I                                   2.62E+10        0.43    37570.0
  PLOG/1.000E-02    2.95E+83      -22.55    67430.0/
  PLOG/1.000E-02    1.35E+34       -8.17    40550.0/                            ! fit btw. 298 and 1400 K with MAE of 0.3%, 1.1%
  PLOG/1.000E-01    5.03E+48      -11.88    50330.0/
  PLOG/1.000E-01    5.16E+24       -5.56    36530.0/                            ! fit btw. 298 and 1500 K with MAE of 12.5%, 54.7%
  PLOG/1.000E+00    1.94E+24       -4.20    41620.0/
  PLOG/1.000E+00    2.60E+18       -5.71    27490.0/                            ! fit btw. 298 and 1600 K with MAE of 36.8%, 126.0%
  PLOG/1.000E+01    4.47E+20       -2.81    41640.0/
  PLOG/1.000E+01    1.51E+15       -4.25    27960.0/                            ! fit btw. 298 and 1800 K with MAE of 46.8%, 163.9%
  PLOG/1.000E+02    2.23E+50      -11.06    60970.0/
  PLOG/1.000E+02    4.28E+06        1.00    34000.0/                            ! fit btw. 298 and 1900 K with MAE of 8.0%, 23.5%


C4H5-N=C4H5-2                                   5.38E-12        6.72    37130.0
  PLOG/1.000E-02    1.01E+136      -37.34    111400.0/
  PLOG/1.000E-02    1.90E+144      -42.81    80480.0/                           ! fit btw. 298 and 1400 K with MAE of 41.6%, 95.0%
  PLOG/1.000E-01    6.97E+64      -16.64    65930.0/
  PLOG/1.000E-01    8.50E+80      -23.60    60150.0/                            ! fit btw. 298 and 1500 K with MAE of 3.2%, 10.9%
  PLOG/1.000E+00    6.90E+56      -13.87    64670.0/
  PLOG/1.000E+00    2.02E+30       -6.74    48970.0/                            ! fit btw. 298 and 1600 K with MAE of 3.6%, 7.7%
  PLOG/1.000E+01    9.07E-27        9.49    24730.0/
  PLOG/1.000E+01    9.89E+50      -11.73    65760.0/                            ! fit btw. 298 and 1800 K with MAE of 7.9%, 23.0%
  PLOG/1.000E+02    4.64E-59       18.92    12360.0/
  PLOG/1.000E+02    8.02E+41       -8.69    65810.0/                            ! fit btw. 298 and 1900 K with MAE of 13.6%, 37.8%


C4H5-N=BUTA123TRIENE+H                                   2.09E+15       -1.11    54590.0
  PLOG/1.000E-02    3.73E+43      -10.81    57850.0/
  PLOG/1.000E-02    1.03E+29       -7.06    49120.0/                            ! fit btw. 298 and 1400 K with MAE of 1.1%, 2.6%
  PLOG/1.000E-01    2.11E+46      -11.26    61560.0/
  PLOG/1.000E-01    5.66E+29       -6.55    52170.0/                            ! fit btw. 298 and 1500 K with MAE of 1.1%, 1.6%
  PLOG/1.000E+00    6.70E+44      -10.44    63060.0/
  PLOG/1.000E+00    2.90E+25       -4.93    52690.0/                            ! fit btw. 298 and 1600 K with MAE of 1.1%, 1.9%
  PLOG/1.000E+01    7.20E+43       -9.75    66170.0/
  PLOG/1.000E+01    2.31E+18       -2.56    52260.0/                            ! fit btw. 298 and 1800 K with MAE of 1.7%, 3.8%
  PLOG/1.000E+02    4.33E+18       -2.04    56830.0/
  PLOG/1.000E+02    2.23E+12       -3.04    43870.0/                            ! fit btw. 298 and 1900 K with MAE of 26.4%, 75.5%

C4H5-N=C4H4+H                                   2.25E+21       -2.45    42400.0
  PLOG/1.000E-02    3.05E+58      -14.32    55600.0/
  PLOG/1.000E-02    2.97E+38       -8.68    44620.0/                            ! fit btw. 298 and 1400 K with MAE of 0.8%, 1.7%
  PLOG/1.000E-01    2.31E+56      -13.38    56380.0/
  PLOG/1.000E-01    7.46E+35       -7.73    44280.0/                            ! fit btw. 298 and 1500 K with MAE of 1.3%, 2.7%
  PLOG/1.000E+00    4.87E+53      -12.29    57120.0/
  PLOG/1.000E+00    1.00E+32       -6.36    43590.0/                            ! fit btw. 298 and 1600 K with MAE of 2.0%, 4.9%
  PLOG/1.000E+01    1.07E+50      -10.94    57580.0/
  PLOG/1.000E+01    1.41E+27       -4.69    42640.0/                            ! fit btw. 298 and 1800 K with MAE of 2.5%, 8.3%
  PLOG/1.000E+02    5.87E+45       -9.44    57910.0/
  PLOG/1.000E+02    4.04E+22       -3.12    41730.0/                            ! fit btw. 298 and 1900 K with MAE of 3.7%, 10.5%

C4H5-N=C2H3+C2H2                                   4.02E+28       -4.22    49500.0
  PLOG/1.000E-02    4.98E+63      -15.89    60910.0/
  PLOG/1.000E-02    4.09E+42       -9.70    50240.0/                            ! fit btw. 298 and 1400 K with MAE of 0.7%, 1.4%
  PLOG/1.000E-01    1.77E+62      -15.03    61800.0/
  PLOG/1.000E-01    5.25E+40       -8.83    50400.0/                            ! fit btw. 298 and 1500 K with MAE of 1.1%, 1.7%
  PLOG/1.000E+00    2.86E+58      -13.49    62090.0/
  PLOG/1.000E+00    3.31E+38       -7.98    50230.0/                            ! fit btw. 298 and 1600 K with MAE of 1.5%, 3.1%
  PLOG/1.000E+01    2.29E+55      -12.23    63000.0/
  PLOG/1.000E+01    1.14E+34       -6.40    49440.0/                            ! fit btw. 298 and 1800 K with MAE of 2.1%, 5.9%
  PLOG/1.000E+02    2.14E+51      -10.74    63680.0/
  PLOG/1.000E+02    3.08E+29       -4.81    48580.0/                            ! fit btw. 298 and 1900 K with MAE of 3.2%, 8.8%

BUTA123TRIENE+H=C4H4+H                                   5.43E-02        4.83    5888.0
  PLOG/1.000E-02    2.64E+31       -5.02    14480.0/
  PLOG/1.000E-02    3.67E+10        1.18    4847.0/                             ! fit btw. 298 and 2000 K with MAE of 0.2%, 0.6%
  PLOG/1.000E-01    6.69E+32       -5.24    18290.0/
  PLOG/1.000E-01    8.06E+09        1.37    5496.0/                             ! fit btw. 298 and 2000 K with MAE of 0.3%, 1.1%
  PLOG/1.000E+00    5.94E+26       -3.31    18070.0/
  PLOG/1.000E+00    2.37E+11        0.83    6819.0/                             ! fit btw. 298 and 2000 K with MAE of 1.5%, 4.6%
  PLOG/1.000E+01    2.97E+21       -1.71    17390.0/
  PLOG/1.000E+01    5.47E+07        1.85    6611.0/                             ! fit btw. 298 and 2000 K with MAE of 3.8%, 8.0%
  PLOG/1.000E+02    4.68E+15        0.00    16880.0/
  PLOG/1.000E+02    6.10E+00        3.87    5299.0/                             ! fit btw. 298 and 2000 K with MAE of 3.5%, 7.8%

BUTA123TRIENE+H=C2H3+C2H2                                   1.37E+03        3.36    14860.0
  PLOG/1.000E-02    1.74E+26       -3.96    15260.0/
  PLOG/1.000E-02    4.99E+07        1.69    7237.0/                             ! fit btw. 298 and 2000 K with MAE of 0.4%, 1.0%
  PLOG/1.000E-01    1.13E+28       -4.28    18980.0/
  PLOG/1.000E-01    5.31E+07        1.71    8549.0/                             ! fit btw. 298 and 2000 K with MAE of 0.2%, 0.4%
  PLOG/1.000E+00    1.36E+26       -3.51    21420.0/
  PLOG/1.000E+00    6.13E+09        1.11    11120.0/                            ! fit btw. 298 and 2000 K with MAE of 0.8%, 2.2%
  PLOG/1.000E+01    1.76E+20       -1.66    20940.0/
  PLOG/1.000E+01    7.70E+10        0.59    13230.0/                            ! fit btw. 298 and 2000 K with MAE of 2.4%, 6.5%
  PLOG/1.000E+02    3.32E+06        2.40    17010.0/
  PLOG/1.000E+02    4.71E-01        1.79    4729.0/                             ! fit btw. 298 and 2000 K with MAE of 16.2%, 48.3%

C4H4+H=C2H3+C2H2                                   4.91E+10        1.30    15800.0
  PLOG/1.000E-02    3.36E+21       -2.20    13640.0/
  PLOG/1.000E-02    4.50E+23       -2.39    26900.0/                            ! fit btw. 298 and 2000 K with MAE of 0.4%, 1.6%
  PLOG/1.000E-01    9.29E+31       -5.39    18990.0/
  PLOG/1.000E-01    6.45E+12        0.47    11900.0/                            ! fit btw. 298 and 2000 K with MAE of 0.1%, 0.4%
  PLOG/1.000E+00    2.65E+37       -6.86    24030.0/
  PLOG/1.000E+00    2.03E+14        0.07    13720.0/                            ! fit btw. 298 and 2000 K with MAE of 0.2%, 0.5%
  PLOG/1.000E+01    1.46E+34       -5.65    25910.0/
  PLOG/1.000E+01    2.76E+10        1.19    13540.0/                            ! fit btw. 298 and 2000 K with MAE of 0.6%, 1.7%
  PLOG/1.000E+02    9.76E+28       -3.94    26990.0/
  PLOG/1.000E+02    3.94E+08        1.56    13640.0/                            ! fit btw. 298 and 2000 K with MAE of 2.0%, 5.8%
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C4H5-I+H<=>BUTA123TRIENE+H2                       +1.23200000E+003 +3.03500000E+000 +2.58200000E+003 !\Author: HL, ANALOGY WITH C3H5-A+H<=>C3H4-A+H2, \Ref: KLIPPENSTEIN & HARDING 2007 !\Comment: WARNING 
C4H5-I+CH3<=>BUTA123TRIENE+CH4                    +3.00000000E+012 -3.20000000E-001 -1.31000000E+002 !\Author: HL, ANALOGY WITH C3H5-A+CH3<=>C3H4-A+CH4, \Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C2H3+C2H3<=>C4H5-I+H                              +1.20000000E+022 -2.44000000E+000 +1.36540000E+004 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
PLOG /                           +2.63000000E-002 +1.50000000E+030 -4.95000000E+000 +1.29580000E+004 /
PLOG /                           +1.20000000E-001 +7.20000000E+028 -4.49000000E+000 +1.42730000E+004 /
PLOG /                           +1.00000000E+000 +1.20000000E+022 -2.44000000E+000 +1.36540000E+004 /
C2H3+C2H3<=>C4H5-N+H                              +2.40000000E+020 -2.04000000E+000 +1.53610000E+004 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
PLOG /                           +2.63000000E-002 +1.10000000E+024 -3.28000000E+000 +1.23950000E+004 /
PLOG /                           +1.20000000E-001 +4.60000000E+024 -3.38000000E+000 +1.46500000E+004 /
PLOG /                           +1.00000000E+000 +2.40000000E+020 -2.04000000E+000 +1.53610000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITION_H
!___________________________________________________________________________________________________________ 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITION_O
!___________________________________________________________________________________________________________ 
!DONG 220101!C4H6+O<=>CH2O+C3H4-A                              +2.24000000E+011 +6.79000000E-001 +2.14900000E+003 !\Author: THIS REACTION CHANNEL FORMS CH2<=>CHCH AND IT IS ASSUMED THAT THIS RADICAL WILL ISOMERIZE !\Ref: WARNING !\Comment: WARNING 
!DONG 220101!PLOG /                           +1.00000000E-001 +7.78000000E+010 +8.09000000E-001 +1.85700000E+003 /
!DONG 220101!PLOG /                           +1.00000000E+000 +7.26000000E+010 +8.19000000E-001 +1.82900000E+003 /
!DONG 220101!PLOG /                           +1.00000000E+001 +2.24000000E+011 +6.79000000E-001 +2.14900000E+003 /

C4H61-3+O<=>CH2O+C3H4-A                              +2.24000000E+011 +6.79000000E-001 +5.14900000E+003 !EA+3KCAL/MOLE \Author: THIS REACTION CHANNEL FORMS CH2<=>CHCH AND IT IS ASSUMED THAT THIS RADICAL WILL ISOMERIZE !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +7.78000000E+010 +8.09000000E-001 +4.85700000E+003 /
PLOG /                           +1.00000000E+000 +7.26000000E+010 +8.19000000E-001 +4.82900000E+003 /
PLOG /                           +1.00000000E+001 +2.24000000E+011 +6.79000000E-001 +5.14900000E+003 /
C4H61-3+O<=>C2H3+CH2CHO                              +2.46000000E+011 +5.62000000E-001 +1.22000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +2.29000000E+011 +5.70000000E-001 +1.18900000E+003 /
PLOG /                           +1.00000000E+000 +1.62000000E+009 +1.25300000E+000 +5.39000000E+002 /
PLOG /                           +1.00000000E+001 +2.46000000E+011 +5.62000000E-001 +1.22000000E+003 /
C4H61-3+O<=>CH2CHCHCHO+H                             +1.20000000E+013 -3.60000000E-002 +1.49300000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +6.62000000E+012 +4.10000000E-002 +1.34500000E+003 /
PLOG /                           +1.00000000E+000 +7.09000000E+012 +3.20000000E-002 +1.35200000E+003 /
PLOG /                           +1.00000000E+001 +1.20000000E+013 -3.60000000E-002 +1.49300000E+003 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITION_OH
!___________________________________________________________________________________________________________ 
!DONG 0327!C4H6+OH<=>C4H64,2-1OH                             +1.34000000E+048 -1.02300000E+001 +2.37720000E+004 !\Author: !ANALOGY TO C3H6+OH !\Ref: WARNING !\Comment: !TOTLE MULTIPLY 2, BRANCHING RATIO 70 
!DONG 0327!PLOG /                           +1.30000000E-003 +2.15000000E+078 -2.07000000E+001 +3.24020000E+004 /
!DONG 0327!PLOG /                           +1.30000000E-003 +5.98000000E+059 -1.58400000E+001 +1.15940000E+004 /
!DONG 0327!PLOG /                           +1.00000000E-002 +2.56000000E+077 -2.00000000E+001 +3.38740000E+004 /
!DONG 0327!PLOG /                           +1.00000000E-002 +6.81000000E+059 -1.55100000E+001 +1.28980000E+004 /
!DONG 0327!PLOG /                           +1.30000000E-002 +9.98000000E+075 -1.95800000E+001 +3.28740000E+004 /
!DONG 0327!PLOG /                           +1.30000000E-002 +2.60000000E+059 -1.53400000E+001 +1.29130000E+004 /
!DONG 0327!PLOG /                           +2.50000000E-002 +3.44000000E+073 -1.87900000E+001 +3.13610000E+004 /
!DONG 0327!PLOG /                           +2.50000000E-002 +2.47000000E+058 -1.49300000E+001 +1.29360000E+004 /
!DONG 0327!PLOG /                           +1.00000000E-001 +9.70000000E+067 -1.70100000E+001 +2.79090000E+004 /
!DONG 0327!PLOG /                           +1.00000000E-001 +1.26000000E+056 -1.40400000E+001 +1.29450000E+004 /
!DONG 0327!PLOG /                           +1.31500000E-001 +6.76000000E+066 -1.66400000E+001 +2.71620000E+004 /
!DONG 0327!PLOG /                           +1.31500000E-001 +3.72000000E+055 -1.38500000E+001 +1.28870000E+004 /
!DONG 0327!PLOG /                           +1.00000000E+000 +1.82000000E+059 -1.41700000E+001 +2.30790000E+004 /
!DONG 0327!PLOG /                           +1.00000000E+000 +1.45000000E+050 -1.20400000E+001 +1.14930000E+004 /
!DONG 0327!PLOG /                           +1.00000000E+001 +7.09000000E+053 -1.22300000E+001 +2.29760000E+004 /
!DONG 0327!PLOG /                           +1.00000000E+001 +5.98000000E+041 -9.35000000E+000 +8.92100000E+003 /
!DONG 0327!PLOG /                           +1.00000000E+002 +1.34000000E+048 -1.02300000E+001 +2.37720000E+004 /
!DONG 0327!PLOG /                           +1.00000000E+002 +2.15000000E+032 -6.31000000E+000 +6.08800000E+003 /
!1,3-Butadiene+OH<=>1-Buten-4-ol-3
C4H61-3+OH<=>C4H64,2-1OH                       +1.28991142E+09 +1.11613223E+00 -2.73701734E+03 ! \Author: SD !\Ref: Bai J, Cavallotti C, Zhou C W. Combustion and Flame, 2020, 221: 228-240. !\Comment:
PLOG / +1.00000E-02 +1.32824962E+43 -1.00967871E+01 +5.94201268E+03/ ! Mean Error = 12.37 Max Error = 24.94
PLOG / +1.00000E-01 +2.24759210E+35 -7.42703371E+00 +4.36930460E+03/ ! Mean Error = 15.24 Max Error = 27.61
PLOG / +1.00000E+00 +0.57973940E+27 -4.65704995E+00 +2.36828707E+03/ !A*0.5, Mean Error = 15.24 Max Error = 30.41
PLOG / +1.00000E+01 +2.25206899E+21 -2.78168648E+00 +9.47046328E+02/ ! Mean Error = 14.40 Max Error = 33.79
PLOG / +1.00000E+02 +1.77988060E+17 -1.44327119E+00 -1.38973732E+02/ ! Mean Error = 12.96 Max Error = 35.05

!DONG 211219!C4H6+OH<=>C4H64,2-1OH                       +1.28991142E+09 +1.11613223E+00 -2.73701734E+03 !A*1.5 \Author: SD !\Ref: Bai J, Cavallotti C, Zhou C W. Combustion and Flame, 2020, 221: 228-240. !\Comment:
!DONG 211219!PLOG / +1.00000E-02 +1.99237443E+43 -1.00967871E+01 +5.94201268E+03/ ! Mean Error = 12.37 Max Error = 24.94
!DONG 211219!PLOG / +1.00000E-01 +3.37138815E+35 -7.42703371E+00 +4.36930460E+03/ ! Mean Error = 15.24 Max Error = 27.61
!DONG 211219!PLOG / +1.00000E+00 +1.61960910E+27 -4.65704995E+00 +2.36828707E+03/ ! Mean Error = 15.24 Max Error = 30.41
!DONG 211219!PLOG / +1.00000E+01 +3.37810349E+21 -2.78168648E+00 +9.47046328E+02/ ! Mean Error = 14.40 Max Error = 33.79
!DONG 211219!PLOG / +1.00000E+02 +2.66982090E+17 -1.44327119E+00 -1.38973732E+02/ ! Mean Error = 12.96 Max Error = 35.05

!DONG 211219!C4H6+OH<=>C4H64,2-1OH                       +1.28991142E+09 +1.11613223E+00 -2.73701734E+03 !A*2.0 \Author: SD !\Ref: Bai J, Cavallotti C, Zhou C W. Combustion and Flame, 2020, 221: 228-240. !\Comment:
!DONG 211219!PLOG / +1.00000E-02 +2.65649924E+43 -1.00967871E+01 +5.94201268E+03/ ! Mean Error = 12.37 Max Error = 24.94
!DONG 211219!PLOG / +1.00000E-01 +4.49518420E+35 -7.42703371E+00 +4.36930460E+03/ ! Mean Error = 15.24 Max Error = 27.61
!DONG 211219!PLOG / +1.00000E+00 +2.15947880E+27 -4.65704995E+00 +2.36828707E+03/ ! Mean Error = 15.24 Max Error = 30.41
!DONG 211219!PLOG / +1.00000E+01 +4.50413798E+21 -2.78168648E+00 +9.47046328E+02/ ! Mean Error = 14.40 Max Error = 33.79
!DONG 211219!PLOG / +1.00000E+02 +3.55976120E+17 -1.44327119E+00 -1.38973732E+02/ ! Mean Error = 12.96 Max Error = 35.05

!1,3-Butadiene+OH<=>1-Buten-4-ol-4                        
C4H61-3+OH<=>C4H64,1-1OH                       +6.69793130E+01 +3.15473532E+00 +1.19834155E+03 ! \Author: SD !\Ref: Bai J, Cavallotti C, Zhou C W. Combustion and Flame, 2020, 221: 228-240. !\Comment:
PLOG / +1.00000E-02 +5.67810104E+31 -6.66686651E+00 +5.49171925E+03/ ! Mean Error = 14.17 Max Error = 20.77
PLOG / +1.00000E-01 +2.78295878E+26 -4.81599255E+00 +4.58725230E+03/ ! Mean Error = 18.38 Max Error = 31.77
PLOG / +1.00000E+00 +6.15775508E+20 -2.85682670E+00 +4.01526038E+03/ ! Mean Error = 16.61 Max Error = 34.77
PLOG / +1.00000E+01 +1.57813575E+14 -6.65472105E-01 +3.65435219E+03/ ! Mean Error = 19.18 Max Error = 54.78
PLOG / +1.00000E+02 +6.69793130E+01 +3.15473532E+00 +1.19834155E+03/ ! Mean Error = 17.71 Max Error = 50.90

!1,3-Butadiene+OH<=>1-Buten-3-ol-4
C4H61-3+OH<=>C2H3CHOHCH2                       +6.48913613E+06 +1.57751992E+00 -8.85105812E+02 ! Mean Error = 1.62  Max Error = 3.01 
PLOG / +1.00000E+00 +5.27015535E+09 +3.75093407E-01 -7.43455885E+02/ ! Mean Error = 3.33  Max Error = 5.04 
PLOG / +1.00000E+01 +1.39031187E+14 -8.84555963E-01 +8.57258270E+02/ ! Mean Error = 0.86  Max Error = 1.95 
PLOG / +1.00000E+02 +1.39391672E+11 +1.74464846E-01 +3.30354853E+02/ ! Mean Error = 2.84  Max Error = 5.52 


!C4H6+OH<=>C4H64,2-1OH                                        +5.1000000E+054 -2.0700000E+001 +3.2402000E+004  
!DUP 
!PLOG /                                       +1.3000000E-003 +2.1500000E+078 -2.0700000E+001 +3.2402000E+004 / 
!PLOG /                                       +1.0000000E-002 +2.5600000E+077 -2.0000000E+001 +3.3874000E+004 / 
!PLOG /                                       +1.3000000E-002 +9.9800000E+075 -1.9580000E+001 +3.2874000E+004 / 
!PLOG /                                       +2.5000000E-002 +3.4400000E+073 -1.8790000E+001 +3.1361000E+004 / 
!PLOG /                                       +1.0000000E-001 +9.7000000E+067 -1.7010000E+001 +2.7909000E+004 / 
!PLOG /                                       +1.3150000E-001 +6.7600000E+066 -1.6640000E+001 +2.7162000E+004 / 
!PLOG /                                       +1.0000000E+000 +1.8200000E+059 -1.4170000E+001 +2.3079000E+004 / 
!PLOG /                                       +1.0000000E+001 +7.0900000E+053 -1.2230000E+001 +2.2976000E+004 / 
!PLOG /                                       +1.0000000E+002 +1.3400000E+048 -1.0230000E+001 +2.3772000E+004 / 
!C4H6+OH<=>C4H64,2-1OH                                        +1.4200000E+036 -1.5840000E+001 +1.1594000E+004  
!DUP 
!PLOG /                                       +1.3000000E-003 +5.9800000E+059 -1.5840000E+001 +1.1594000E+004 / 
!PLOG /                                       +1.0000000E-002 +6.8100000E+059 -1.5510000E+001 +1.2898000E+004 / 
!PLOG /                                       +1.3000000E-002 +2.6000000E+059 -1.5340000E+001 +1.2913000E+004 / 
!PLOG /                                       +2.5000000E-002 +2.4700000E+058 -1.4930000E+001 +1.2936000E+004 / 
!PLOG /                                       +1.0000000E-001 +1.2600000E+056 -1.4040000E+001 +1.2945000E+004 / 
!PLOG /                                       +1.3150000E-001 +3.7200000E+055 -1.3850000E+001 +1.2887000E+004 / 
!PLOG /                                       +1.0000000E+000 +1.4500000E+050 -1.2040000E+001 +1.1493000E+004 / 
!PLOG /                                       +1.0000000E+001 +5.9800000E+041 -9.3500000E+000 +8.9210000E+003 / 
!PLOG /                                       +1.0000000E+002 +2.1500000E+032 -6.3100000E+000 +6.0880000E+003 / 
!C4H6+OH<=>C2H3CHOHCH2                                        +1.4200000E+036 -1.5840000E+001 +1.1594000E+004  
!DUP 
!PLOG /                                       +1.3000000E-003 +1.8420000E+078 -2.0700000E+001 +3.0400000E+004 / 
!PLOG /                                       +1.0000000E-002 +2.1930000E+077 -2.0000000E+001 +3.1900000E+004 / 
!PLOG /                                       +1.3000000E-002 +8.5500000E+075 -1.9580000E+001 +3.0900000E+004 / 
!PLOG /                                       +2.5000000E-002 +2.9460000E+073 -1.8790000E+001 +2.9400000E+004 / 
!PLOG /                                       +1.0000000E-001 +8.3100000E+067 -1.7010000E+001 +2.5900000E+004 / 
!PLOG /                                       +1.3150000E-001 +5.7960000E+066 -1.6640000E+001 +2.5200000E+004 / 
!PLOG /                                       +1.0000000E+000 +1.5600000E+059 -1.4170000E+001 +2.1100000E+004 / 
!PLOG /                                       +1.0000000E+001 +6.0780000E+053 -1.2230000E+001 +2.1000000E+004 / 
!PLOG /                                       +1.0000000E+002 +1.1448000E+048 -1.0230000E+001 +2.1800000E+004 / 
!C4H6+OH<=>C2H3CHOHCH2                                        +5.1000000E+054 -2.0700000E+001 +3.2402000E+004  
!DUP 
!PLOG /                                       +1.3000000E-003 +5.1240000E+059 -1.5840000E+001 +9.6000000E+003 / 
!PLOG /                                       +1.0000000E-002 +5.8380000E+059 -1.5510000E+001 +1.0900000E+004 / 
!PLOG /                                       +1.3000000E-002 +2.2320000E+059 -1.5340000E+001 +1.0900000E+004 / 
!PLOG /                                       +2.5000000E-002 +2.1210000E+058 -1.4930000E+001 +1.0900000E+004 / 
!PLOG /                                       +1.0000000E-001 +1.0800000E+056 -1.4040000E+001 +1.0900000E+004 / 
!PLOG /                                       +1.3150000E-001 +3.1860000E+055 -1.3850000E+001 +1.0900000E+004 / 
!PLOG /                                       +1.0000000E+000 +1.2420000E+050 -1.2040000E+001 +9.5000000E+003 / 
!PLOG /                                       +1.0000000E+001 +5.1240000E+041 -9.3500000E+000 +7.8200000E+003 / 
!PLOG /                                       +1.0000000E+002 +1.8390000E+032 -6.3100000E+000 +4.9900000E+003 / 


!1,3-Butadiene+OH<=>1,3-Butadien-1-ol+H                        
C4H61-3+OH<=>C4H5OH-13+H                       +5.79387523E-03 +4.71302222E+00 +8.56733560E+03 ! \Author: SD !\Ref: Bai J, Cavallotti C, Zhou C W. Combustion and Flame, 2020, 221: 228-240. !\Comment:
PLOG / +1.00000E-02 +4.42875893E+08 +1.24548544E+00 +6.07940518E+03/ ! Mean Error = 3.39  Max Error = 6.45 
PLOG / +1.00000E-01 +6.29127686E+11 +3.73512005E-01 +8.63907136E+03/ ! Mean Error = 4.72  Max Error = 13.98
PLOG / +1.00000E+00 +2.28291711E+12 +2.86081932E-01 +1.06120182E+04/ ! Mean Error = 12.91 Max Error = 47.64
PLOG / +1.00000E+01 +5.69633986E+07 +1.72198237E+00 +1.07166266E+04/ ! Mean Error = 30.14 Max Error = 88.32
PLOG / +1.00000E+02 +5.79387523E-03 +4.71302222E+00 +8.56733560E+03/ ! Mean Error = 37.95 Max Error = 93.12

!1,3-Butadiene+OH<=>Croton aldehyde+H
C4H61-3+OH<=>AC3H5CHO+H                        +9.64780495E-05 +5.27654848E+00 +1.23051371E+04 ! \Author: SD !\Ref: Bai J, Cavallotti C, Zhou C W. Combustion and Flame, 2020, 221: 228-240. !\Comment:
PLOG / +1.00000E-02 +1.10792582E+22 -2.85342713E+00 +1.21127441E+04/ ! Mean Error = 4.22  Max Error = 16.03
PLOG / +1.00000E-01 +3.20687242E+24 -3.50900921E+00 +1.46735120E+04/ ! Mean Error = 11.66 Max Error = 44.08
PLOG / +1.00000E+00 +4.45196091E+12 +2.70382531E-01 +1.28702392E+04/ ! Mean Error = 20.89 Max Error = 43.84
PLOG / +1.00000E+01 +7.69753727E+06 +2.05646188E+00 +1.34503303E+04/ ! Mean Error = 31.78 Max Error = 65.77
PLOG / +1.00000E+02 +9.64780495E-05 +5.27654848E+00 +1.23051371E+04/ ! Mean Error = 43.01 Max Error = 107.20

!1,3-Butadiene+OH<=>Vinyl+Ethenol                        
C4H61-3+OH<=>C2H3+C2H3OH                       +3.23580195E+03 +3.06303102E+00 +1.55905389E+04 ! \Author: SD !\Ref: Bai J, Cavallotti C, Zhou C W. Combustion and Flame, 2020, 221: 228-240. !\Comment:
PLOG / +1.00000E-02 +7.94628059E+17 -1.48122077E+00 +1.29798692E+04/ ! Mean Error = 3.13  Max Error = 8.05 
PLOG / +1.00000E-01 +7.85947012E+20 -2.30486970E+00 +1.55156104E+04/ ! Mean Error = 6.75  Max Error = 22.79
PLOG / +1.00000E+00 +9.50669152E+20 -2.24145649E+00 +1.75426895E+04/ ! Mean Error = 16.80 Max Error = 52.82
PLOG / +1.00000E+01 +1.39011338E+16 -7.12489420E-01 +1.82568178E+04/ ! Mean Error = 31.80 Max Error = 89.83
PLOG / +1.00000E+02 +3.23580195E+03 +3.06303102E+00 +1.55905389E+04/ ! Mean Error = 36.20 Max Error = 91.99

!1,3-Butadiene+OH<=>1,3-Butadien-2-ol+H                        
C4H61-3+OH<=>C4H51,3OH2+H                      +8.96364082E-05 +5.02058229E+00 +9.24387389E+03 ! \Author: SD !\Ref: Bai J, Cavallotti C, Zhou C W. Combustion and Flame, 2020, 221: 228-240. !\Comment:
PLOG / +1.00000E-02 +4.66664736E+11 +1.70098443E-01 +9.34584634E+03/ ! Mean Error = 8.28  Max Error = 13.76
PLOG / +1.00000E-01 +1.59315315E+13 -2.14227828E-01 +1.14737722E+04/ ! Mean Error = 8.93  Max Error = 34.30
PLOG / +1.00000E+00 +8.91905186E+09 +8.08947295E-01 +1.16651278E+04/ ! Mean Error = 20.54 Max Error = 64.31
PLOG / +1.00000E+01 +1.28937506E+04 +2.58224199E+00 +1.08321114E+04/ ! Mean Error = 29.06 Max Error = 71.36
PLOG / +1.00000E+02 +8.96364082E-05 +5.02058229E+00 +9.24387389E+03/ ! Mean Error = 30.68 Max Error = 75.62

!1-Buten-4-ol-4<=>1,3-Butadien-1-ol+H                  
C4H64,1-1OH<=>C4H5OH-13+H                   +2.52095809E+10 +8.70038523E-01 +3.47389791E+04 ! Mean Error = 1.51  Max Error = 4.06 
PLOG / +1.00000E-02 +1.17401614E+49 -1.21204886E+01 +4.38980995E+04/ ! Mean Error = 11.27 Max Error = 16.85
PLOG / +1.00000E-01 +3.10354109E+41 -9.36595336E+00 +4.28879941E+04/ ! Mean Error = 16.54 Max Error = 27.16
PLOG / +1.00000E+00 +4.30421957E+30 -5.71879931E+00 +4.03847572E+04/ ! Mean Error = 17.84 Max Error = 34.93
PLOG / +1.00000E+01 +8.43451621E+23 -3.50038238E+00 +3.86139977E+04/ ! Mean Error = 14.81 Max Error = 35.71
PLOG / +1.00000E+02 +1.73648804E+20 -2.25625905E+00 +3.77624191E+04/ ! Mean Error = 13.30 Max Error = 31.04

!1-Buten-4-ol-4<=>Croton-aldehyde+H             
C4H64,1-1OH<=>AC3H5CHO+H                   +6.66300904E+10 +8.96556957E-01 +3.45008005E+04 ! Mean Error = 4.03  Max Error = 14.95
PLOG / +1.00000E-02 +9.86581723E+44 -1.06797145E+01 +4.23101468E+04/ ! Mean Error = 14.33 Max Error = 25.36
PLOG / +1.00000E-01 +1.49741982E+39 -8.47107292E+00 +4.18860401E+04/ ! Mean Error = 20.20 Max Error = 41.20
PLOG / +1.00000E+00 +7.49697867E+28 -4.99831769E+00 +3.95509174E+04/ ! Mean Error = 22.41 Max Error = 42.37
PLOG / +1.00000E+01 +1.39228640E+23 -3.08628190E+00 +3.81029438E+04/ ! Mean Error = 19.39 Max Error = 42.93
PLOG / +1.00000E+02 +1.40043072E+20 -2.05795160E+00 +3.74772657E+04/ ! Mean Error = 17.59 Max Error = 37.39

!1-Buten-4-ol-4<=>Vinyl+Ethenol                      
C4H64,1-1OH<=>C2H3+C2H3OH                  +3.28962660E+14 -6.49636723E-02 +3.92644003E+04 ! Mean Error = 1.81  Max Error = 4.00 
PLOG / +1.00000E-02 +9.04305540E+53 -1.35340622E+01 +4.79787033E+04/ ! Mean Error = 9.55  Max Error = 13.89
PLOG / +1.00000E-01 +7.46743274E+47 -1.11244603E+01 +4.77032444E+04/ ! Mean Error = 14.96 Max Error = 24.99
PLOG / +1.00000E+00 +1.17640128E+37 -7.41440845E+00 +4.55130444E+04/ ! Mean Error = 17.93 Max Error = 33.79
PLOG / +1.00000E+01 +5.67369750E+28 -4.65961310E+00 +4.33621141E+04/ ! Mean Error = 16.47 Max Error = 38.50
PLOG / +1.00000E+02 +6.82703562E+23 -3.02753534E+00 +4.21047951E+04/ ! Mean Error = 12.92 Max Error = 31.83

!1-Buten-4-ol-4<=>Methylcyclopropan-3-ol-1          
C4H64,1-1OH<=>CH2CYC3H4OH                  +8.24569809E+11 -4.27472703E-02 +1.64673986E+04 ! Mean Error = 2.91  Max Error = 6.16 

!1-Buten-4-ol-3<=>1,3-Butadien-1-ol+H
C4H64,2-1OH<=>C4H5OH-13+H                  +1.61919935E+07 +1.95652632E+00 +4.04315757E+04 ! Mean Error = 2.39  Max Error = 5.16 
PLOG / +1.00000E-02 +1.09296428E+50 -1.26155942E+01 +4.98425933E+04/ ! Mean Error = 9.41  Max Error = 19.67
PLOG / +1.00000E-01 +2.47170532E+43 -1.00587256E+01 +4.93391213E+04/ ! Mean Error = 15.58 Max Error = 32.34
PLOG / +1.00000E+00 +1.15266774E+33 -6.48334706E+00 +4.73321318E+04/ ! Mean Error = 20.14 Max Error = 36.73
PLOG / +1.00000E+01 +3.86643883E+24 -3.62847035E+00 +4.54324448E+04/ ! Mean Error = 22.49 Max Error = 47.11
PLOG / +1.00000E+02 +3.32742580E+18 -1.62156379E+00 +4.39443036E+04/ ! Mean Error = 22.18 Max Error = 51.01

!1-Buten-4-ol-3<=>1-Buten-4-ol-4
C4H64,2-1OH<=>C4H64,1-1OH                  +2.23697743E-16 +8.22235027E+00 +2.94798549E+04 ! Mean Error = 65.40 Max Error = 363.94
PLOG / +1.00000E-02 +3.09403255E-02 +2.47011486E+00 +2.87772296E+04/ ! Mean Error = 49.14 Max Error = 141.14
PLOG / +1.00000E-01 +3.44911164E+01 +1.94897399E+00 +3.13826281E+04/ ! Mean Error = 77.40 Max Error = 284.41
PLOG / +1.00000E+00 +1.88508337E-07 +4.92731833E+00 +3.02631687E+04/ ! Mean Error = 90.27 Max Error = 338.56
PLOG / +1.00000E+01 +7.13164378E-09 +5.60407785E+00 +3.07382006E+04/ ! Mean Error = 93.51 Max Error = 381.12
PLOG / +1.00000E+02 +1.39759928E-10 +6.29443580E+00 +3.08436014E+04/ ! Mean Error = 91.87 Max Error = 404.35

!1-Buten-3-ol-4<=>Vinyl+Ethenol
C2H3CHOHCH2<=>C2H3+C2H3OH                  +4.98263524E+09 +1.15329171E+00 +3.48510306E+04 ! Mean Error = 1.99  Max Error = 4.49 
PLOG / +1.00000E+00 +1.51964522E+11 +5.78092413E-01 +3.33420090E+04/ ! Mean Error = 0.44  Max Error = 0.64 
PLOG / +1.00000E+01 +6.27918279E+11 +5.22780202E-01 +3.46016117E+04/ ! Mean Error = 3.12  Max Error = 5.38 
PLOG / +1.00000E+02 +3.62472446E+10 +9.41418030E-01 +3.51614174E+04/ ! Mean Error = 7.07  Max Error = 15.95

!1-Buten-3-ol-4<=>1,3-Butadien-2-ol+H
C2H3CHOHCH2<=>C4H51,3OH2+H                 +3.08751320E+04 +2.42774407E+00 +2.81434817E+04 ! Mean Error = 3.36  Max Error = 6.46 
PLOG / +1.00000E+00 +3.70110308E-02 +4.04181940E+00 +2.59806848E+04/ ! Mean Error = 1.38  Max Error = 2.10 
PLOG / +1.00000E+01 +2.16119105E+08 +9.95713637E-01 +2.85943864E+04/ ! Mean Error = 0.95  Max Error = 1.76 
PLOG / +1.00000E+02 +1.14385467E+08 +1.22956512E+00 +2.89739670E+04/ ! Mean Error = 4.84  Max Error = 8.70 

!1-Buten-3-ol-4<=>Methylcyclopropan-3-ol-1
C2H3CHOHCH2<=>CH2CYC3H4OH                  +3.01934221E+08 +8.88250648E-01 +9.07651658E+03 ! Mean Error = 0.57  Max Error = 1.44 

!DONG 0327!C4H6+OH<=>C2H3CHOHCH2                             +1.14480000E+048 -1.02300000E+001 +2.18000000E+004 !\Author: !ANALOGY TO C3H6+OH !\Ref: WARNING !\Comment: !TOTLE MULTIPLY 2, BRANCHING RATIO 70 
!DONG 0327!PLOG /                           +1.30000000E-003 +1.84200000E+078 -2.07000000E+001 +3.04000000E+004 /
!DONG 0327!PLOG /                           +1.30000000E-003 +5.12400000E+059 -1.58400000E+001 +9.60000000E+003 /
!DONG 0327!PLOG /                           +1.00000000E-002 +2.19300000E+077 -2.00000000E+001 +3.19000000E+004 /
!DONG 0327!PLOG /                           +1.00000000E-002 +5.83800000E+059 -1.55100000E+001 +1.09000000E+004 /
!DONG 0327!PLOG /                           +1.30000000E-002 +8.55000000E+075 -1.95800000E+001 +3.09000000E+004 /
!DONG 0327!PLOG /                           +1.30000000E-002 +2.23200000E+059 -1.53400000E+001 +1.09000000E+004 /
!DONG 0327!PLOG /                           +2.50000000E-002 +2.94600000E+073 -1.87900000E+001 +2.94000000E+004 /
!DONG 0327!PLOG /                           +2.50000000E-002 +2.12100000E+058 -1.49300000E+001 +1.09000000E+004 /
!DONG 0327!PLOG /                           +1.00000000E-001 +8.31000000E+067 -1.70100000E+001 +2.59000000E+004 /
!DONG 0327!PLOG /                           +1.00000000E-001 +1.08000000E+056 -1.40400000E+001 +1.09000000E+004 /
!DONG 0327!PLOG /                           +1.31500000E-001 +5.79600000E+066 -1.66400000E+001 +2.52000000E+004 /
!DONG 0327!PLOG /                           +1.31500000E-001 +3.18600000E+055 -1.38500000E+001 +1.09000000E+004 /
!DONG 0327!PLOG /                           +1.00000000E+000 +1.56000000E+059 -1.41700000E+001 +2.11000000E+004 /
!DONG 0327!PLOG /                           +1.00000000E+000 +1.24200000E+050 -1.20400000E+001 +9.50000000E+003 /
!DONG 0327!PLOG /                           +1.00000000E+001 +6.07800000E+053 -1.22300000E+001 +2.10000000E+004 /
!DONG 0327!PLOG /                           +1.00000000E+001 +5.12400000E+041 -9.35000000E+000 +7.82000000E+003 /
!DONG 0327!PLOG /                           +1.00000000E+002 +1.14480000E+048 -1.02300000E+001 +2.18000000E+004 /
!DONG 0327!PLOG /                           +1.00000000E+002 +1.83900000E+032 -6.31000000E+000 +4.99000000E+003 /

!===========================================================================================================
!\SUBSPECIES: ALLYLIC_RADICAL_CH3
!===========================================================================================================

C4H64,2-1OH+CH3(+M)<=>C5H9OH1-2(+M)               +1.00000000E+014 -3.20000000E-001 -2.62300000E+002 !\Author: SD !\Ref: TSANG '91 !\Comment: WARNING 
LOW /                                             +3.91000000E+060 -1.28100000E+001 +6.25000000E+003 /
TROE /                           +1.04000000E-001 +1.60600000E+003 +6.00000000E+004 +6.11840000E+003 /
AR / +0.7000 / CO / +1.5000 / H2 / +2.0000 / CH4 / +2.0000 / CO2 / +2.0000 / C2H6 / +3.0000 / H2O / +6.0000 / 

C4H64,2-1OH+CH3(+M)<=>CC5H9OH-A(+M)               +1.00000000E+014 -3.20000000E-001 -2.62300000E+002 !\Author: SD !\Ref: TSANG '91 !\Comment: WARNING 
LOW /                                             +3.91000000E+060 -1.28100000E+001 +6.25000000E+003 /
TROE /                           +1.04000000E-001 +1.60600000E+003 +6.00000000E+004 +6.11840000E+003 /
AR / +0.7000 / CO / +1.5000 / H2 / +2.0000 / CH4 / +2.0000 / CO2 / +2.0000 / C2H6 / +3.0000 / H2O / +6.0000 / 

CC5H9OH-A+OH<=>CC5H8OHA-B+H2O                     +6.14000000E+002 +3.20000000E+000 -3.50000000E+003 !CC5H10+OH<=>CC5H9-B+H2O \Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING ! 
CC5H9OH-A+HO2<=>CC5H8OHA-B+H2O2                   +1.81000000E+003 +2.50000000E+000 +7.15400000E+003 !CC5H10+HO2<=>CC5H9-B+H2O2 \Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING ! 
CC5H8OHA-B+HO2<=>CC5H8OHA-BO+OH                   +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: SD !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
CC5H8OHA-BO<=>C2H3COCH3+CH2OH                     +1.59000000E+022 -2.55000000E+000 +1.28400000E+004 !\Author: SD !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ISOMERISATION_AND_BETA_SCISSION
!___________________________________________________________________________________________________________ 

!DONG 0504!C4H64,2-1OH<=>C4H7O2-1                            +8.62000000E+014 -1.77000000E+000 +1.25000000E+004 !\Author: P. ZHANG ET AL., JPCA, 2013, 117, 1890-1906. !ANALOGY TO BUTANOL !COMMENTS EA+1 KCAL/MOL !\Ref: WARNING !\Comment: WARNING 
!DONG 0504!PLOG /                           +1.30000000E-001 +6.32000000E+011 -1.20000000E+000 +1.07820000E+004 /
!DONG 0504!PLOG /                           +1.00000000E+000 +1.99000000E+008 +1.20000000E-001 +1.04170000E+004 /
!DONG 0504!PLOG /                           +1.00000000E+001 +1.87000000E+008 +2.10000000E-001 +1.06600000E+004 /
!DONG 0504!PLOG /                           +1.00000000E+002 +8.62000000E+014 -1.77000000E+000 +1.25000000E+004 /
!DONG 0405!C4H7O2-1<=>CH2O+C3H5-S                            +1.03000000E+023 -3.11000000E+000 +1.76910000E+004 !\Author: P. ZHANG ET AL., JPCA, 2013, 117, 1890-1906. !ANALOGY TO BUTANOL !\Ref: WARNING !\Comment: WARNING 
!DONG 0405!PLOG /                           +1.30000000E-001 +5.09000000E+023 -3.85000000E+000 +1.57210000E+004 /
!DONG 0405!PLOG /                           +1.00000000E+000 +6.73000000E+034 -7.46000000E+000 +1.93320000E+004 /
!DONG 0405!PLOG /                           +1.00000000E+001 +1.48000000E+030 -5.62000000E+000 +1.90260000E+004 /
!DONG 0405!PLOG /                           +1.00000000E+002 +1.03000000E+023 -3.11000000E+000 +1.76910000E+004 /
!DONG 0504!C2H3CHOHCH2<=>C4H71-O                             +1.29000000E+015 -1.99000000E+000 +2.77000000E+004 !\Author: P. ZHANG ET AL., JPCA, 2013, 117, 1890-1906. !ANALOGY TO BUTANOL !\Ref: WARNING !\Comment: WARNING 
!DONG 0504!PLOG /                           +1.30000000E-001 +1.27000000E-041 +1.43600000E+001 +5.31800000E+003 /
!DONG 0504!PLOG /                           +1.00000000E+000 +1.59000000E-018 +7.29000000E+000 +1.27050000E+004 /
!DONG 0504!PLOG /                           +1.00000000E+002 +1.29000000E+015 -1.99000000E+000 +2.77000000E+004 /
!DONG 0504!C4H64,2-1OH<=>C4H7O1-4                            +1.29000000E+015 -1.99000000E+000 +2.77000000E+004 !\Author: P. ZHANG ET AL., JPCA, 2013, 117, 1890-1906. !ANALOGY TO BUTANOL !\Ref: WARNING !\Comment: WARNING 
!DONG 0504!PLOG /                           +1.30000000E-001 +1.27000000E-041 +1.43600000E+001 +5.31800000E+003 /
!DONG 0504!PLOG /                           +1.00000000E+000 +1.59000000E-018 +7.29000000E+000 +1.27050000E+004 /
!DONG 0504!PLOG /                           +1.00000000E+002 +1.29000000E+015 -1.99000000E+000 +2.77000000E+004 /
!DONG 0504!C4H7O1-4<=>CH2O+C3H5-A                            +1.03000000E+023 -3.11000000E+000 +1.76910000E+004 !\Author: P. ZHANG ET AL., JPCA, 2013, 117, 1890-1906. !ANALOGY TO BUTANOL !\Ref: WARNING !\Comment: WARNING 
!DONG 0504!PLOG /                           +1.30000000E-001 +5.09000000E+023 -3.85000000E+000 +1.57210000E+004 /
!DONG 0504!PLOG /                           +1.00000000E+000 +6.73000000E+034 -7.46000000E+000 +1.93320000E+004 /
!DONG 0504!PLOG /                           +1.00000000E+001 +1.48000000E+030 -5.62000000E+000 +1.90260000E+004 /
!DONG 0504!PLOG /                           +1.00000000E+002 +1.03000000E+023 -3.11000000E+000 +1.76910000E+004 /
!DONG 0504!C4H71-O<=>CH3+C2H3CHO                             +5.15000000E+022 -3.11000000E+000 +1.76910000E+004 !\Author: P. ZHANG ET AL., JPCA, 2013, 117, 1890-1906. !ANALOGY TO BUTANOL !COMMENT !\Ref: WARNING !\Comment: WARNING 
!DONG 0504!PLOG /                           +1.30000000E-001 +2.55000000E+023 -3.85000000E+000 +1.57210000E+004 /
!DONG 0504!PLOG /                           +1.00000000E+000 +3.37000000E+034 -7.46000000E+000 +1.93320000E+004 /
!DONG 0504!PLOG /                           +1.00000000E+001 +7.40000000E+029 -5.62000000E+000 +1.90260000E+004 /
!DONG 0504!PLOG /                           +1.00000000E+002 +5.15000000E+022 -3.11000000E+000 +1.76910000E+004 /
!DONG 0504!C4H71-O<=>CH3CHO+C2H3                             +5.15000000E+022 -3.11000000E+000 +1.76910000E+004 !\Author: P. ZHANG ET AL., JPCA, 2013, 117, 1890-1906. !ANALOGY TO BUTANOL !COMMENT !\Ref: WARNING !\Comment: WARNING 
!DONG 0504!PLOG /                           +1.30000000E-001 +2.55000000E+023 -3.85000000E+000 +1.57210000E+004 /
!DONG 0504!PLOG /                           +1.00000000E+000 +3.37000000E+034 -7.46000000E+000 +1.93320000E+004 /
!DONG 0504!PLOG /                           +1.00000000E+001 +7.40000000E+029 -5.62000000E+000 +1.90260000E+004 /
!DONG 0504!PLOG /                           +1.00000000E+002 +5.15000000E+022 -3.11000000E+000 +1.76910000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C4H64,1-1OH+O2=AC3H5CHO+HO2                        3.78E+20   -2.429    3090 !C5H10OH11+O2=PC4H9CHO+HO2!\Author: SD !\Ref: DA SILVA J. PHYS. CHEM. A 2009, 113, 8923 SAGGESE1@LLNL.GOV
PLOG /  1.00E-03  5.26E+17   -1.637     838 / 
PLOG /  1.00E-02  5.26E+17   -1.637     838 / 
PLOG /  1.00E-01  5.26E+17   -1.637     838 / 
PLOG /  1.00E+00  5.28E+17   -1.638     839 / 
PLOG /  1.00E+01  1.54E+18   -1.771    1120 / 
PLOG /  1.00E+02  3.78E+20   -2.429    3090 / 

!DONG 220623!C4H64,2-1OH+O2<=>C4H64,1OH-2O2                    +9.14000000E+002 +2.17900000E+000 -2.20000000E+003 !C5H91-3+O2<=>C5H91-3O2\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C4H64,2-1OH+O2<=>C4H64,1OH-2O2                    +9.14000000E+002 +2.17900000E+000 -2.20000000E+003 !C5H91-3+O2<=>C5H91-3O2\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
PLOG /  1.00E+00  +9.14000000E+001 +2.17900000E+000 -2.20000000E+003 / 
PLOG /  1.00E+01  +9.14000000E+002 +2.17900000E+000 -2.20000000E+003 / 


!DONG 211220!C4H64,2-1OH+O2<=>C4H64,1OH-2O2                    +1.37000000E+003 +2.17900000E+000 -2.20000000E+003 !A*1.5, C5H91-3+O2<=>C5H91-3O2\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 


!DONG 220623!C4H64,2-1OH+O2<=>C4H5OH-13+HO2                    +3.18000000E-003 +4.83000000E+000 +0.96385920E+004 !EA-3KCAL, C4H71-3+O2<=>C4H6+HO2\Author: YL !\Ref: DIRECT CALCULATION FROM THE STATED AUTHOR !\Comment: WARNING 
C4H64,2-1OH+O2<=>C4H5OH-13+HO2          +4.63057462E+005 +1.79971244E+000 +1.24157963E+004  !\Author: SD !\Ref: Zhu, Yuxiang, and Chong-Wen Zhou. Combustion and Flame 221 (2020): 241-255. !\Comment: WARNING 
PLOG / +1.00000E-002 +4.13013814E-002 +3.67965451E+000 +5.05285640E+003/
PLOG / +1.00000E-001 +3.59245100E+000 +3.12353157E+000 +6.20481713E+003/
PLOG / +1.00000E+000 +1.06260168E+004 +2.13767531E+000 +8.46221568E+003/
PLOG / +1.00000E+001 +1.14233603E+007 +1.30854416E+000 +1.11243122E+004/
PLOG / +1.00000E+002 +4.63057462E+005 +1.79971244E+000 +1.24157963E+004/



C2H3CHOHCH2+O2<=>C2H3CHOHCH2OO                    +6.86500000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: SD !\Ref: ALKANE RATE RULES !\Comment: WARNING 
C2H3CHOHCH2+O2<=>C4H51,3OH2+HO2                   +8.37000000E-001 +3.59000000E+000 +1.19600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: AC5H11+O2<=>AC5H10+HO2 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2_PRODUCTS_C4H64,1OH-2O2
!___________________________________________________________________________________________________________ 

C4H64,1OH-2O2<=>C4H64,OOH2-1O                     +2.61000000E+010 +2.90000000E-001 +2.03780000E+004 !C5H10OH-2O2<=>C5H10OOH2-1O\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
!DONG 0504!C4H64,1OH-2O2<=>C4H64,OOH2-1O                     +2.61000000E+010 +2.90000000E-001 +2.33780000E+004 !EA+3KCAL/MOLE, C5H10OH-2O2<=>C5H10OOH2-1O\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C4H64,1OH-2O2<=>C4H54,1OHQ2-1                     +1.76000000E+003 +2.69000000E+000 +2.14980000E+004 !C5H10OH-2O2<=>C5H9OH1Q2-1 \Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
!DONG 0515!C4H64,1OH-2O2<=>C4H54,1OHQ2-1                     +1.76000000E+004 +2.69000000E+000 +2.14980000E+004 !*10, C5H10OH-2O2<=>C5H9OH1Q2-1 \Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 

!DONG 220103!C4H64,1OH-2O2<=>C4H5OH-13+HO2                     +2.07000000E+013 +0.00000000E+000 +3.29990000E+004 !C5H10OH-2O2<=>C5H9OH1-1+HO2 \Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C4H64,1OH-2O2<=>C4H5OH-13+HO2                     +1.03500000E+013 +0.00000000E+000 +3.29990000E+004 !A*0.5, C5H10OH-2O2<=>C5H9OH1-1+HO2 \Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 

C4H64,1OH-2O2<=>C4H6OH1-3OO2-4                    +8.51000000E-012 +6.82000000E+000 +1.84200000E+004 !C5H91-3O2<=>C5H92OO1-3 \Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
C4H64,1OH-2O2<=>C4H6OH1-4OO2-3                    +2.8890E+27	-4.81	3.1835E+04  !C5H91-3O2<=>C5H91OO2-3, REFIT, RATE AT HIGH TEMPERAITRE BELOW 1.0E14 \AUTHOR: SD !\REF: Sun, Xiaohui, et al. Physical Chemistry Chemical Physics 21.20 (2019): 10693-10705.

C4H64,OOH2-1O=>C2H3CHO+CH2O+OH                    +1.99000000E+019 -1.50000000E+000 +1.08200000E+004 !C5H10OOH2-1O=>NC3H7CHO+CH2O+OH\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 

C4H54,1OHQ2-1<=>C4H5OH1O1-2+OH                    +3.90000000E+012 +2.00000000E-002 +9.53200000E+003 !C5H9OH1Q2-1<=>C5H9OH1O1-2+OH \Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
!C4H54,1OHQ2-1<=>C4H5OH1O1-2+OH                    +3.90000000E+011 +2.00000000E-002 +9.53200000E+003 !A/10.0, C5H9OH1Q2-1<=>C5H9OH1O1-2+OH \Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
!DONG 220103!C4H54,1OHQ2-1<=>C4H5OH-13+HO2                     +5.22000000E+014 -2.40000000E-001 +1.66580000E+004 !C5H9OH1Q2-1<=>C5H9OH1-1+HO2 \Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C4H54,1OHQ2-1<=>C4H5OH-13+HO2                     +2.61000000E+014 -2.40000000E-001 +1.66580000E+004 !A*0.5, C5H9OH1Q2-1<=>C5H9OH1-1+HO2 \Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 

!C4H5OH1O1-2+OH=>C2H3CO+CH2O+H2O                   +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !C2H3CHOCH2+OH=>C2H3+CH2CO+H2O \Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!C4H5OH1O1-2+HO2=>C2H3CO+CH2O+H2O2                 +1.00000000E+013 +0.00000000E+000 +1.50000000E+004 !C2H3CHOCH2+HO2=>C2H3+CH2CO+H2O2 \Author: WARNING !\Ref: WARNING !\Comment: WARNING 

C4H5OH1O1-2+OH=>C2H3COCHOH+H2O                   +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !C2H3CHOCH2+OH=>C2H3+CH2CO+H2O \Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 220621!C4H5OH1O1-2+HO2=>C2H3COCHOH+H2O2                 +1.00000000E+013 +0.00000000E+000 +1.50000000E+004 !C2H3CHOCH2+HO2=>C2H3+CH2CO+H2O2 \Author: WARNING !\Ref: WARNING !\Comment: WARNING 

C2H3COCHOH+O2<=>C2H3COCHO+HO2                           +5.26000000E+017 -1.63800000E+000 +8.69000000E+002 !SC2H4OH+O2<=>CH3CHO+HO2\Author: WARNING !\Ref: DA SILVA J. PHYS. CHEM. A 2009, 113, 8923-8933 !\Comment: WARNING 

C2H3COCHO+OH=>C2H3CO+CO+H2O                             +6.13299000E+004 +2.65000000E+000 -4.58640000E+003 !CHOCHO+OH=>HCO+CO+H2O\Author: WARNING !\Ref: J. MENDES, C-W ZHOU, AND H. J. CURRAN. JPCA, 2014, 118, 12089-12104. !\Comment: WARNING 
C2H3COCHO+HO2=>C2H3CO+CO+H2O2                           +1.70000000E+013 +0.00000000E+000 +1.62900000E+004 !CHOCHO+HO2=>HCO+CO+H2O2\Author: SP\REF !\Ref: WARNING !\Comment: WARNING 

C4H54,1OHQ2-1+O2<=>C4H54,1OHQ2-1O2                     1.00E+00    0.000       0 !SD, AS SC2H4OH+O2=CC(O[O])O DA SILVA J.PHYS.CHEM.A 113 (2009) 8923-8933
PLOG /  1.00E-03  1.71E+53  -18.150    7140 / 
PLOG /  1.00E-02  2.48E+77  -25.358   15100 / 
PLOG /  1.00E-01 8.29E+102  -33.022   20630 / 
PLOG /  1.00E+00 5.63E+109  -34.200   21190 / 
PLOG /  1.00E+01  8.48E+94  -27.983   18390 / 
PLOG /  1.00E+02  8.17E+87  -25.058   17750 /  

C4H54,1OHQ2-1O2<=>C2H3COCHOHOOH+OH                     5.25E-01    3.73    18500 !EA-2KCAL/MOL, C5H9OH-2OOH-1O2=C5OHKET2-1+OH, 5ST, S.Y. MOHAMED, J. PHYS. CHEM. A  122(2018) 3626-3639, SAGGESE1@LLNL.GOV
C2H3COCHOHOOH<=>C2H3CO+HOCHO+OH                        4.5E+16    0.000   43000 !C5OHKET2-1=>OH+HOCHO+NC3H7CO 

C4H54,1OHQ2-1+O2<=>C4H61KET43+HO2                  3.78E+20   -2.429    3090 !ANALOGY TO PRENOL
!DONG 0504!C4H52-1OHQ4-1+O2=CVOCVCCOOH+HO2                             1.00E+00    0.000       0 !WAGNON1@LLNL.GOV! AS SC2H4OH+O2=CH3CHO+HO2 DA SILVA J.PHYS.CHEM.A 113 (2009) 8923-8933
!DONG 0504!PLOG /  1.00E-03  5.26E+17   -1.637     838 /
!DONG 0504!PLOG /  1.00E-02  5.26E+17   -1.637     838 /
!DONG 0504!PLOG /  1.00E-01  5.26E+17   -1.637     838 /
!DONG 0504!PLOG /  1.00E+00  5.28E+17   -1.638     839 /
!DONG 0504!PLOG /  1.00E+01  1.54E+18   -1.771    1120 /
!DONG 0504!PLOG /  1.00E+02  3.78E+20   -2.429    3090 /

C4H6OH1-3OO2-4<=>C4H6OH1O3-4O-2                   +1.25000000E+010 +8.42000000E-001 +2.88000000E+004 !C5H92OO1-3<=>C5H9O1-2O-3 \Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C4H6OH1-3OO2-4<=>C4H6OH1O2-3O-4                   +4.34000000E+010 +7.79000000E-001 +2.99000000E+004 !C5H92OO1-3<=>C5H9O2-3O-1\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C4H6OH1O3-4O-2<=>C2H3O1-2+HOCH2CHO                +3.27000000E+009 +5.86000000E-001 +9.20000000E+003 !C5H9O1-2O-3<=>C2H3O1-2+C2H5CHO \Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C4H6OH1O3-4O-2<=>CYC2H3OCHO+CH2OH                 +5.51000000E+022 -2.76000000E+000 +1.39800000E+004 !\Author: WARNING !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 
C4H6OH1O2-3O-4<=>C2H3CHO+OH+CH2O                  +3.11000000E+012 +1.21000000E-001 +1.59000000E+004 !C5H9O2-3O-1<=>C3H6CHO-1+CH2O \Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C4H6OH1-4OO2-3<=>C4H6OH1O3-4O-2                   +1.15000000E+011 +3.53000000E-001 +1.33000000E+004 !C5H91OO2-3<=>C5H9O1-2O-3 \Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 

!DONG 220428!C4H51OH1O3-4+OH=>H2O+C2H2OH+CH2CO                 +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !C5H82O4-5+OH=>H2O+C3H5-S+CH2CO \Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!DONG 220428!C4H51OH1O3-4+HO2=>H2O2+C2H2OH+CH2CO               +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !C5H82O4-5+HO2=>H2O2+C3H5-S+CH2CO\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!
!C4H64,2-1OH+O2<=>C4H62-1OH-4O2                    +4.57000000E+002 +2.17900000E+000 -2.20000000E+003 !C5H91-3+O2<=>C5H92-1O2 \Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
!C4H62-1OH-4O2<=>C4H6OH1-2OO3-4                    +6.07000000E-002 +3.95000000E+000 +2.14300000E+004 !C5H92-1O2<=>C5H93OO1-2 \Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
!
!C4H6OH1-2OO3-4<=>C4H6OH1O2-3O-4                   +5.74000000E+010 +4.83000000E-001 +1.30000000E+004 !C5H93OO1-2<=>C5H9O2-3O-1\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
!C4H6OH1O2-3O-4<=>CH2OHCHCHO+CH2O                  +3.11000000E+012 +1.21000000E-001 +1.59000000E+004 !C5H9O2-3O-1<=>C3H6CHO-1+CH2O\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
!
!!DONG 211220!C4H62-1OH-4O2<=>C4H52-1OHQ4-1                     +1.84000000E-002 +3.50000000E+000 +1.14000000E+004 !C5H92-1O2<=>C5H82OOH1-4 \Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
!C4H62-1OH-4O2<=>C4H52-1OHQ4-1                     +1.10000000E-002 +3.50000000E+000 +1.14000000E+004 !A*0.6, C5H92-1O2<=>C5H82OOH1-4 \Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
!
!C4H52-1OHQ4-1<=>CYC2H3OCH2CHO+OH                      +1.71000000E+016 -1.21800000E+000 +2.79000000E+004 !C5H81OOH4-3<=>C5H81O3-4+OH \Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
!
!C4H52-1OHQ4-1+O2<=>C4H5OH1OOH4-3O2                    +4.57000000E+002 +2.17900000E+000 -2.20000000E+003 !C4H61-3OOH4+O2<=>C4H61OOH4-3O2\Author: SD !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
!C4H5OH1OOH4-3O2<=>C4H5OH1KET43+OH                     +2.44000000E+007 +1.60000000E+000 +2.79000000E+004 !C4H61OOH4-3O2<=>C4H61KET43+OH\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
!
!C4H5OH1KET43O=>C2H2OH+CHOCHO                          +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!
!C4H5OH1KET43<=>C4H5OH1KET43O+OH                +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: SD !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
!PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
!PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
!PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
!PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
!PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
!
!C4H5OH1KET43O<=>CH2COHCHO+HCO                     +5.51000000E+022 -2.76000000E+000 +1.39800000E+004 !\Author: SD !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 
!
!
!C4H52-1OHQ4-1<=>C4H51OH1O3-4+OH                   +1.71000000E+016 -1.21800000E+000 +2.79000000E+004 !C5H82OOH1-4<=>C5H82O4-5+OH \Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
!C4H52-1OHQ4-1<=>C4H5OH-13+HO2                     +1.92000000E+012 +7.90000000E-002 +2.07000000E+004 !C5H82OOH1-4<=>C5H81-3+HO2\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
!!
!!C4H52-1OHQ4-1+O2=CVOCVCCOOH+HO2                             1.89E+20   -2.429    3090  !*0.5
!C4H52-1OHQ4-1+O2=CVOCVCCOOH+HO2                             1.00E+00    0.000       0 !WAGNON1@LLNL.GOV! AS SC2H4OH+O2=CH3CHO+HO2 DA SILVA J.PHYS.CHEM.A 113 (2009) 8923-8933
!PLOG /  1.00E-03  5.26E+17   -1.637     838 /
!PLOG /  1.00E-02  5.26E+17   -1.637     838 /
!PLOG /  1.00E-01  5.26E+17   -1.637     838 /
!PLOG /  1.00E+00  5.28E+17   -1.638     839 /
!PLOG /  1.00E+01  1.54E+18   -1.771    1120 /
!PLOG /  1.00E+02  3.78E+20   -2.429    3090 /
!
!
CVOCVCCOOH<=>OVCCVCCOJ+OH                         +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: AC3H5OOH<=>C3H5O+OH 
OVCCVCCOJ<=>OVCCVCCVO+H                           +2.57000000E+020 -2.06000000E+000 +2.20401000E+004 !\Author: WARNING !\Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: C3H5O<=>C2H3CHO+H
OVCCVCCVO+O2=OVCCVCCJVO+HO2                       +2.40000000E+005 +2.50000000E+000 +3.75600000E+004 !WAGNON1@LLNL.GOV! DH298K=37.9, ESTIMATE 2A AS CH3CHO+O2=CH3CO+HO2
OVCCVCCVO+H=OVCCVCCJVO+H2                         +1.38000000E+006 +2.40000000E+000 +1.90500000E+003 !WAGNON1@LLNL.GOV! 2A AS CH3CHO+H=CH3CO+H2
OVCCVCCVO+O=OVCCVCCJVO+OH                         +1.18800000E+013 +0.00000000E+000 +1.86800000E+003 !WAGNON1@LLNL.GOV! 2A AS CH3CHO+O=CH3CO+OH
OVCCVCCVO+OH=OVCCVCCJVO+H2O                       +5.60000000E+012 +0.00000000E+000 -7.09000000E+002 !\Author: SP !\Ref: S. WANG, D.F. DAVIDSON, R.K. HANSON, PROC. COMBUST. INST. 35(2015) 473-480. !\Comment: WARNING 
OVCCVCCVO+HO2=OVCCVCCJVO+H2O2                     +3.40000000E+013 +0.00000000E+000 +1.62930000E+004 !WAGNON1@LLNL.GOV! 2A AS CH3CHO+HO2=CH3CO+H2O2
CJVCCVO+CO=OVCCVCCJVO                             +1.51000000E+011 +0.00000000E+000 +4.81000000E+003 !\Author: WARNING !\Ref: TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15 !\Comment: C2H3+CO<=>C2H3CO 
!
!!DONG 0504!C4H63,1-3OH+HO2=C4H61-3OH-3O+OH                        1.00E+00    0.000       0 !WAGNON1@LLNL.GOV! A/2(DEG) AS C3H5-A+HO2=C3H5O+OH GOLDSMITH PROC.COMBUST.INST. 33 (2011) 273-282
!!DONG 0504!PLOG /  1.00E-01  3.99E+09    0.783   -2330 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 0%, MEAN = 0%, MAX = 2% @551K
!!DONG 0504!PLOG /  1.00E+00  5.05E+12   -0.087     -11 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 2%, MEAN = 2%, MAX = 4% @2000K
!!DONG 0504!PLOG /  1.00E+01  8.05E+17   -1.503    4824 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 1%, MEAN = 1%, MAX = 4% @2000K
!!DONG 0504!PLOG /  1.00E+02  2.41E+17   -1.228    7798 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 7%, MEAN = 7%, MAX = 21% @551K
!!DONG 0504!
!!DONG 0504!C4H61-3OH-3O=C2H3COCH3+OH                                1.00E+00    0.000       0 !WAGNON1@LLNL.GOV! AS C3H5O=C2H3+CH2O GOLDSMITH PROC.COMBUST.INST. 33 (2011) 273-282
!!DONG 0504!PLOG /  1.00E-01  6.06E+16   -2.106   20436 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 7%, MEAN = 6%, MAX = 20% @2000K
!!DONG 0504!PLOG /  1.00E+00  3.16E+17   -2.026   20588 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 6%, MEAN = 6%, MAX = 21% @2000K
!!DONG 0504!PLOG /  1.00E+01  2.39E+22   -3.176   22993 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 6%, MEAN = 6%, MAX = 19% @2000K
!!DONG 0504!PLOG /  1.00E+02  3.92E+28   -4.661   27643 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 4%, MEAN = 4%, MAX = 17% @2000K
!
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2_PRODUCTS_C2H3CHOHCH2OO
!___________________________________________________________________________________________________________ 

!DONG 0423!C2H3CHOHCH2OO<=>C4H6O1-3OOH4                      +9.30000000E+010 -3.60000000E-002 +2.08900000E+004 !\Author: !REF !\Ref: WARNING !\Comment: WARNING 
!DONG 0423!C4H6O1-3OOH4=>C2H3CHO+CH2O+OH                     +7.04000000E+010 +3.63000000E-001 +9.46000000E+003 !\Author: !REF !\Ref: WARNING !\Comment: WARNING 
C2H3CHOHCH2OO<=>C4H6O1-3OOH4                      +1.18000000E+010 +3.90000000E-001 +2.03220000E+004 !O2C5H10OH21<=>C5H10OOH1-2O \Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING
C2H3CHOHCH2OO<=>C4H51OH3Q4-3                      +1.92000000E+005 +2.03000000E+000 +1.71900000E+004 !Ea-3KCAL/MOLE, O2C5H10OH21<=>C5H9OH2Q1-2 \Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 

C4H51OH3Q4-3<=>C4H51,3OH2+HO2                     +5.46000000E+010 +9.20000000E-001 +1.48810000E+004 !C5H9OH2Q1-2<=>C5H9OH2-1+HO2 \Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
!DONG 0515!C4H51OH3Q4-3<=>C4H51OH3O3-4+OH                    +8.62000000E+010 +5.60000000E-001 +9.18400000E+003 !C5H9OH2Q1-2<=>C5H9OH2O1-2+OH \Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C4H51OH3Q4-3+O2<=>C4H61KET34+HO2                   3.78E+20   -2.429    3090

!DONG 0423!C2H3CHOHCH2OO<=>C4H51,3OH2+HO2                    +1.26000000E+008 +1.32000000E+000 +2.89000000E+004 !\Author: WARNING !\Ref: S. M. VILLANO, L. K. HUYNH, H. -H. CARSTENSEN, A. M. DEAN. J. PHYS. CHEM. A 2011, 115, 13425-13442. AC5H11O2<=>AC5H10+HO2 !\Comment: WARNING 
!DONG 0515!C2H3CHOHCH2OO<=>C4H51,3OH2+HO2                    +1.50000000E+007 +1.80000000E+000 +2.53400000E+004 !\Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
C2H3CHOHCH2OO<=>C4H51,3OH2+HO2                    +3.65000000E+013 -1.50000000E-001 +3.47900000E+004 !O2C5H10OH21<=>C5H9OH2-1+HO2 \Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 

C2H3CHOHCH2OO<=>C4H6OH3-2OO1-4                     3.4890E+21	-3.21	1.9535E+04 !C5H91-4O2<=>C5H92OO1-4, REFIT, RATE AT HIGH TEMPERAITRE BELOW 1.0E14 \Author: SD !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
C2H3CHOHCH2OO<=>C4H6OH3-1OO2-4                    +9.85000000E-004 +4.32000000E+000 +8.66000000E+003 !C5H91-4O2<=>C5H91OO2-4 \Author: SD !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 

C4H6O1-3OOH4=>C2H3CHO+CH2O+OH                     +8.69000000E+021 -2.37000000E+000 +1.26290000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
!
!DONG 0515!C4H61KET34+H<=>C4H6O1-3OOH4                       +4.61000000E+007 +1.71000000E+000 +7.09000000E+003 !\Author: WARNING !\Ref: HARDING J. PHYS. CHEM., VOL. 114, NO. 2, 2010 !\Comment: WARNING 
!DONG 0515!C4H6O1-3OOH4<=>C2H3+HO2CH2CHO                     +1.50000000E+009 +1.10000000E+000 +1.05000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0423!C2H3CHOHCH2OO<=>C2H3CHOHCHO+OH                    +1.49000000E+009 +1.09000000E-001 +4.13900000E+004 !\Author: WARNING !\Ref: H. SUN, ET AL., J. PHYS. CHEM. A., 2007, 111, 4974. !\Comment: WARNING 
C2H3CHOHCH2OO+HO2<=>C4H6OHOOH1-3-4+O2             +1.75000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: AC5H11O2+HO2<=>AC5H11O2H+O2 
!DONG 0515!C2H3CHOHCH2+C2H3CHOHCH2OO<=>C2H3CHOHCH2O+C2H3CHOHCH2O +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: AC5H11+AC5H11O2<=>AC5H11O+AC5H11O 
!DONG 0515!C2H3CHOHCH2OO+C2H3CHOHCH2OO=>C2H3CHOHCH2O+C2H3CHOHCH2O+O2 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: AC5H11O2+AC5H11O2=>AC5H11O+AC5H11O+O2 

C4H6OH3-2OO1-4<=>C4H6OH3O1-2O-4                   +1.01000000E+010 +9.61000000E-001 +2.07000000E+004 !C5H92OO1-4<=>C5H9O1-2O-4 \Author: SD !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C4H6OH3-1OO2-4<=>C4H6OH3O1-2O-4                   +8.21000000E+010 +4.38000000E-001 +1.29000000E+004 !C5H91OO2-4<=>C5H9O1-2O-4 \Author: SD !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C4H6OH3O1-2O-4=>C2H2OH+CH2O+CH2O                 +4.61000000E+009 +1.21300000E+000 +9.90000000E+003 !\Author: SD !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: ALCOHOLICRO2<=>QOOH(O)
!___________________________________________________________________________________________________________ 


!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: ALCOHOLICRO2<=>QOOH(P)
!___________________________________________________________________________________________________________ 
!DONG 0423!C2H3CHOHCH2OO<=>C4H5OH1-4OOH                      +1.86000000E+003 +2.27000000E+000 +2.30000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0406!C4H5OH1-4OOH=>C3H4O+CH2O+OH                       +4.90000000E+009 +1.10000000E+000 +1.29100000E+004 !\Author: !REF !\Ref: WARNING !\Comment: WARNING 
!DONG 0423!C4H5OH1-4OOH<=>CDY(COCC)OH+OH                     +2.59000000E+009 +6.90000000E-001 +1.60000000E+004 !\Author: WARNING !\Ref: VILLANO(FROM KUIWEN'S MECH) !\Comment: WARNING 
!DONG 0423!C4H5OH1-4OOH<=>CDY(COCC)OH+OH                     +3.80000000E+009 +4.43000000E-001 +4.97000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
!DONG 0423!CDY(COCC)OH+OH=>H2O+SC2H2OH+CH2CO                 +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!DONG 0423!CDY(COCC)OH+HO2=>H2O2+SC2H2OH+CH2CO               +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: ALCOHOLICQOOH+O2<=>O2QOOH
!___________________________________________________________________________________________________________ 
!DONG 0423!C4H5OH1-4OOH+O2<=>C4H5OH1-4OOH-2OO                +4.39000000E+011 +3.25000000E-001 -4.17300000E+002 !\Author: WARNING !\Ref: A. MIYOSHI. INT. J. CHEM. KIN. 2012, 44, 1, 59-74 !A*1 !\Comment: WARNING 
!DONG 0423!C4H5OH1-4OOH-2OO<=>C3H2OHCH2Q+HO2                 +2.44000000E+013 -2.53000000E-001 +3.25900000E+004 !\Author: WARNING !\Ref: H. SUN, ET AL., J. PHYS. CHEM. A., 2007, 111, 4974. !\Comment: WARNING 
!DONG 0406
!DONG 0423!C4H5OH1-4OOH+O2=>CH2O+CO+HO2CHOH                  +7.07000000E+033 -6.28000000E+000 +1.60000000E+004 !ANALOGY TO C3H5-T+O2 \Author: SD !\Ref: GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
!DONG 0423!PLOG /                           +1.00000000E-002 +6.47000000E+036 -7.60000000E+000 +1.26400000E+004 /
!DONG 0423!PLOG /                           +1.00000000E-002 +1.18000000E+016 -1.28000000E+000 +5.15300000E+002 /
!DONG 0423!PLOG /                           +1.00000000E-001 +6.29000000E+036 -7.60000000E+000 +1.26100000E+004 /
!DONG 0423!PLOG /                           +1.00000000E-001 +1.19000000E+016 -1.28000000E+000 +5.13000000E+002 /
!DONG 0423!PLOG /                           +3.16000000E-001 +5.06000000E+036 -7.57000000E+000 +1.24900000E+004 /
!DONG 0423!PLOG /                           +3.16000000E-001 +1.26000000E+016 -1.29000000E+000 +5.20600000E+002 /
!DONG 0423!PLOG /                           +1.00000000E+000 +7.07000000E+035 -7.32000000E+000 +1.18200000E+004 /
!DONG 0423!PLOG /                           +1.00000000E+000 +1.58000000E+016 -1.31000000E+000 +6.45700000E+002 /
!DONG 0423!PLOG /                           +3.16000000E+000 +3.72000000E+036 -7.47000000E+000 +1.24600000E+004 /
!DONG 0423!PLOG /                           +3.16000000E+000 +2.44000000E+016 -1.36000000E+000 +1.06600000E+003 /
!DONG 0423!PLOG /                           +1.00000000E+001 +1.34000000E+036 -7.20000000E+000 +1.34300000E+004 /
!DONG 0423!PLOG /                           +1.00000000E+001 +6.64000000E+015 -1.18000000E+000 +1.42900000E+003 /
!DONG 0423!PLOG /                           +3.16000000E+001 +8.26000000E+020 -2.57000000E+000 +5.57800000E+003 /
!DONG 0423!PLOG /                           +3.16000000E+001 +2.66000000E+069 -1.92300000E+001 +1.47600000E+004 /
!DONG 0423!PLOG /                           +1.00000000E+002 +7.07000000E+033 -6.28000000E+000 +1.60000000E+004 /
!DONG 0423!PLOG /                           +1.00000000E+002 +1.09000000E+011 +1.90000000E-001 +8.30600000E+002 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: ALCOHOLICO2QOOH<=>KHP+OH
!___________________________________________________________________________________________________________ 
!DONG 0423!C4H5OH1-4OOH-2OO<=>C3H3OHCHO1-2OOH+OH             +1.09800000E+004 +2.40000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
!DONG 0423!C3H3OHCHO1-2OOH=>CH2CO+OH+H+CHOCHO                +1.05000000E+016 +0.00000000E+000 +4.26000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: ALCOHOLICO2QOOH<=>HO2ROOH
!___________________________________________________________________________________________________________ 
!DONG 0423!C4H5OH1-4OOH-2OO<=>C4H5OJ1-2,4OOH                 +9.30000000E+010 -3.60000000E-002 +2.28900000E+004 !\Author: !REF !\Ref: WARNING !\Comment: WARNING 
!DONG 0423!C4H5OJ1-2,4OOH=>CH2CO+2OH+CH2O+HCO                +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+HO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
!DONG 0504!C4H64,2-1OH+HO2<=>C4H6OHOOH1-4-3                  +1.02000000E+012 +6.00000000E-001 -2.10600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0504!C4H6OHOOH1-4-3<=>C3H4CH2OH-3O+OH                  +3.10000000E+016 -1.50000000E+000 +4.28794600E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

C4H64,2-1OH+HO2<=>C4H6OHOOH1-4-3                  +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !C5H91-3+HO2<=>C5H91-3OOH\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.91000000E+031 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +6.31000000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +1.03000000E+045 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +2.79000000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 /
C4H64,2-1OH+HO2<=>C3H4CH2OH-3O+OH                 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !C5H91-3+HO2<=>C5H9O1-3+OH\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
C4H6OHOOH1-4-3<=>C3H4CH2OH-3O+OH                  +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !C5H91-3OOH<=>C5H9O1-3+OH\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
!
!DONG 0504!C4H64,2-1OH+HO2<=>C3H4CH2OH-1OOH                  +1.02000000E+012 +6.00000000E-001 -2.10600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0504!C3H4CH2OH-1OOH<=>C3H4CH2OH-1O+OH                  +3.10000000E+016 -1.50000000E+000 +4.28794600E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

C4H64,2-1OH+HO2<=>C3H4CH2OH-1OOH                  +7.20000000E+031 -6.01000000E+000 +6.05360000E+003 !C5H91-3+HO2<=>C5H92-1OOH\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +9.55000000E+030 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +3.15500000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +5.15000000E+044 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +1.39500000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +7.20000000E+031 -6.01000000E+000 +6.05360000E+003 /
C4H64,2-1OH+HO2<=>C3H4CH2OH-1O+OH                 +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 !C5H91-3+HO2<=>C5H9O2-1+OH\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.10000000E+012 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +2.49000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +3.88500000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +1.46500000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 /
C3H4CH2OH-1OOH<=>C3H4CH2OH-1O+OH                  +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !C5H92-1OOH<=>C5H9O2-1+OH\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: KHP_HOMOLYTIC_FISSION
!___________________________________________________________________________________________________________ 
C4H6OHOOH1-4-3+O2<=>C4H64,1OH-2O2+HO2             +9.00000000E+013 +0.00000000E+000 +4.02000000E+004 !C5H91-3OOH+O2<=>C5H91-3O2+HO2\Author: SD !\Ref: WARNING !\Comment: WARNING 
!C3H4CH2OH-1OOH+O2<=>                     +9.00000000E+013 +0.00000000E+000 +4.02000000E+004 !\Author: WARNING !\Ref: SD !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 

C3H4CH2OH-3O<=>C2H3CHO+CH2OH                      +4.38000000E+016 -8.90000000E-001 +1.65300000E+004 !C5H9O2-4<=>SC3H5CHO+CH3\Author: SD !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 
C3H4CH2OH-3O<=>HOCH2CHO+C2H3                      +8.52000000E+025 -3.61000000E+000 +2.38634000E+004 !\Author: SD !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325-3346 !\Comment: WARNING 
!DONG 0504!C3H4CH2OH-3O<=>CH2OH+C2H3CHO                      +2.70000000E+014 +0.00000000E+000 +2.39036100E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0504!C3H4CH2OH-3O<=>HOCH2CHO+C2H3                      +2.70000000E+014 +0.00000000E+000 +2.39036100E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H4CH2OH-3O<=>C2H3COCH2OH+H                      +3.50000000E+011 +1.00000000E+000 +1.85585800E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!
!DONG 0423!C2H3COCH2OH+OH<=>C2H3COCH2O+H2O                   +5.81000000E-003 +4.28000000E+000 -3.56000000E+003 !C2H5OH+OH<=>C2H5O+H2O \Author: SD !\Ref: SMB 04 / 09 / 2013 !\Comment: BRANCHING RATIO CHANGED FOR THE UNDERPREDICIOTN OF C2H4 IN THE JSR AND FLOW REACTOR 
!DONG 0423!C2H3COCH2OH+HO2<=>C2H3COCH2O+H2O2                 +6.47000000E-007 +5.30000000E+000 +1.05331000E+004 !C2H5OH+HO2<=>C2H5O+H2O2 \Author: SD !\Ref: MITTAL 2013 !\Comment: INCREASED BY 1.75 ZHOU WARNING 
C2H3COCH2OH+OH<=>C2H3COCHOH+H2O                  +7.52000000E+004 +2.49000000E+000 -1.47410000E+003 !C2H5OH+OH<=>SC2H4OH+H2O \Author: SD !\Ref: SMB 04 / 09 / 2013 !\Comment: BRANCHING RATIO CHANGED FOR THE UNDERPREDICIOTN OF C2H4 IN THE JSR AND FLOW REACTOR 
C2H3COCH2OH+HO2<=>C2H3COCHOH+H2O2                +2.45000000E-005 +5.26000000E+000 +7.47510000E+003 !C2H5OH+HO2<=>SC2H4OH+H2O2 \Author: SD !\Ref: MITTAL 2013 !\Comment: INCREASED BY 1.75 ZHOU WARNING 

!DONG 0423!C2H3COCHOH<=>C2H3COJCHOH                         +7.18000000E+012 -1.60000000E-001 +1.78830000E+003 !\Author: SD !\Ref: Somers, Kieran P., et al. Physical Chemistry Chemical Physics 16.11 (2014): 5349-5367. !\Comment: 
!DONG 0423!C2H3COJCHOH<=>CH2CY(CCOC)OH                       +1.74000000E+013 -4.20000000E-001 +2.75380000E+004 !\Author: SD !\Ref: Somers, Kieran P., et al. Physical Chemistry Chemical Physics 16.11 (2014): 5349-5367. !\Comment: 
!DONG 0423!C2H3COCHOH<=>CH2CY(CCOC)OH                       +1.74000000E+013 -4.20000000E-001 +2.75380000E+004 !\Author: SD !\Ref: Somers, Kieran P., et al. Physical Chemistry Chemical Physics 16.11 (2014): 5349-5367. !\Comment: 
!DONG 0423!CH2CY(CCOC)OH<=>C2H3CHOHCO                        +8.27000000E+007 +1.28000000E+000 +1.86780000E+003 !\Author: SD !\Ref: Somers, Kieran P., et al. Physical Chemistry Chemical Physics 16.11 (2014): 5349-5367. !\Comment: 

C2H3COCHOH<=>C2H3CHOHCO                           8.84E+44   -9.263   38107 !<K.P. SOMERS, ESTIMATED THE SAME AS H45DE2O3J = H35DE2O1J (SIRJEAN&FOURNET SEE MECHANISM)
C2H3CHOHCO=>CO+CH2CHCHOH                          +5.84000000E+010 +7.40000000E-001 +6.71010000E+003 !\Author: SD !\Ref: Somers, Kieran P., et al. Physical Chemistry Chemical Physics 16.11 (2014): 5349-5367. !\Comment: 

C3H4CH2OH-1O<=>CH2O+CHCHCH2OH                     +8.52000000E+025 -3.61000000E+000 +2.78634000E+004 !C5H9O2-1<=>CH2O+C4H71-1\Author: SD !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325-3346 !\Comment: WARNING 
C3H4CH2OH-1O<=>CHOC3H4OH+H                        +2.57000000E+020 -2.06000000E+000 +2.20401000E+004 !C5H9O2-1<=>C4H7CHO-2+H\Author: SD !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325-3346 !\Comment: WARNING 
!DONG 0504!C3H4CH2OH-1O=>CH2O+C2H2+CH2OH                     +2.70000000E+014 +0.00000000E+000 +2.39036100E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0504!C3H4CH2OH-1O<=>CHOC3H4OH+H                        +3.50000000E+012 +1.00000000E+000 +1.85585800E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

CHCHCH2OH+O2<=>CHOOCHCH2OH                        +8.10000000E+029 -5.32000000E+000 +6.90900000E+003 !C3H5-S+O2<=>SC3H5OO\Author: SP WARNING !\Ref: X. CHEN AND F. GOLDSMITH(2017) !\Comment: WARNING 
CHOOCHCH2OH=>CH2O+CH2OH+CO                        +1.33000000E+030 -5.19000000E+000 +3.68000000E+004 !SC3H5OO=>CH2O+CH3+CO \Author: SP !\Ref: C2H3OO=>CH2O+H+CO GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 

CHOC3H4OH+OH=>H2O+CO+CHCHCH2OH                   +3.73000000E+004 +2.60000000E+000 -2.30000000E+003 !\Author: LLNL !\Ref: ABSTRACTIONS ALDEHYDIC H BY OH_RATE RULE KUKKADAPU1.LLNL.GOV !\Comment: WARNING 
!DONG 220624!CHOC3H4OH+HO2=>H2O2+CO+CHCHCH2OH                 +1.17730000E-004 +4.92000000E+000 +3.68430000E+003 !\Author: WARNING !\Ref: J. MENDES, C-W ZHOU, AND H. J. CURRAN. JPCA, 2014, 118, 12089-12104. !\Comment: WARNING 
CHOC3H4OH+CH3=>CH4+CO+CHCHCH2OH                  +1.24879000E+000 +3.63000000E+000 +4.32890000E+003 !\Author: WARNING !\Ref: J. MENDES, C-W ZHOU, AND H. J. CURRAN. JPCA, 2014, 118, 12089-12104. !\Comment: WARNING 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITION_HO2
!___________________________________________________________________________________________________________ 
!DONG 0917!C4H61-3OOH4<=>C4H6+HO2                            +1.92000000E+012 +7.90000000E-002 +2.07000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C4H61-3+HO2<=>C4H61-3OOH4         +6.99905585E+012 -6.38774724E-001 +1.00741628E+004  !\Author: SD !\Ref: Zhu, Yuxiang, and Chong-Wen Zhou. Combustion and Flame 221 (2020): 241-255. !\Comment: WARNING 
PLOG / +1.00000E-002 +6.78417008E+043 -1.17938284E+001 +1.48785979E+004/
PLOG / +1.00000E-001 +2.18893514E+039 -9.87113072E+000 +1.50335408E+004/
PLOG / +1.00000E+000 +1.82285377E+030 -6.58301708E+000 +1.37232623E+004/
PLOG / +1.00000E+001 +8.23119331E+018 -2.70928030E+000 +1.13319822E+004/
PLOG / +1.00000E+002 +6.99905585E+012 -6.38774724E-001 +1.00741628E+004/

!DONG 0917!C4H6+HO2<=>C4H61OOH3-4                            +4.18000000E+001 +3.21000000E+000 +9.20000000E+003 !\Author: WARNING !\Ref: VILLANO ET AL. JPCA, 2013, 117, 6458-6473. !COMMENT !\Comment: WARNING 
C4H61-3+HO2<=>C4H61OOH3-4         +3.36250095E+008 +7.32412609E-001 +1.31997899E+004  !\Author: SD !\Ref: Zhu, Yuxiang, and Chong-Wen Zhou. Combustion and Flame 221 (2020): 241-255. !\Comment: WARNING 
PLOG / +1.00000E-002 +1.74394913E+033 -8.74717622E+000 +1.55716855E+004/
PLOG / +1.00000E-001 +1.87433294E+031 -7.59001197E+000 +1.63105065E+004/
PLOG / +1.00000E+000 +3.58399421E+024 -4.95479245E+000 +1.58649858E+004/
PLOG / +1.00000E+001 +1.02681987E+017 -2.19416253E+000 +1.48774286E+004/
PLOG / +1.00000E+002 +3.36250095E+008 +7.32412609E-001 +1.31997899E+004/

!DONG 0917!C4H71-3O2<=>C4H6+HO2                              +4.11000000E+008 +9.86000000E-001 +2.64000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C4H61-3+HO2<=>C4H71-3O2           +2.80567157E+013 -1.21446708E+000 +8.63098410E+003  !\Author: SD !\Ref: Zhu, Yuxiang, and Chong-Wen Zhou. Combustion and Flame 221 (2020): 241-255. !\Comment: WARNING 
PLOG / +1.00000E-002 +6.33843623E+038 -1.11897169E+001 +1.00978408E+004/
PLOG / +1.00000E-001 +8.14620367E+036 -9.95262902E+000 +1.12649358E+004/
PLOG / +1.00000E+000 +9.64752860E+031 -7.81093067E+000 +1.16075831E+004/
PLOG / +1.00000E+001 +1.42718734E+024 -4.88765264E+000 +1.08052265E+004/
PLOG / +1.00000E+002 +2.80567157E+013 -1.21446708E+000 +8.63098410E+003/

!DONG 0917!C4H71-3O2<=>C4H61OOH3-4                           +5.17000000E-005 +4.56500000E+000 +2.54000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C4H71-3O2<=>C4H61OOH3-4        +1.37892302E-008 +5.17308535E+000 +2.00733939E+004  !\Author: SD !\Ref: Zhu, Yuxiang, and Chong-Wen Zhou. Combustion and Flame 221 (2020): 241-255. !\Comment: WARNING 
PLOG / +1.00000E-002 +9.89721091E+038 -1.20250997E+001 +2.62303562E+004/
PLOG / +1.00000E-001 +1.90526797E+026 -7.33699545E+000 +2.44275392E+004/
PLOG / +1.00000E+000 +6.23707377E+012 -2.38913117E+000 +2.26227301E+004/
PLOG / +1.00000E+001 +1.47140967E+002 +1.55919415E+000 +2.14737548E+004/
PLOG / +1.00000E+002 +1.37892302E-008 +5.17308535E+000 +2.00733939E+004/

C4H61-3+HO2<=>C2H3CHOCH2+OH        +6.63627760E+005 +2.02700408E+000 +1.50365637E+004  !\Author: SD !\Ref: Zhu, Yuxiang, and Chong-Wen Zhou. Combustion and Flame 221 (2020): 241-255. !\Comment: WARNING 
PLOG / +1.00000E-002 +3.07086203E+003 +2.46173436E+000 +8.20184977E+003/
PLOG / +1.00000E-001 +6.97175115E+006 +1.50810764E+000 +1.03756387E+004/
PLOG / +1.00000E+000 +1.96683120E+010 +5.51267399E-001 +1.31157938E+004/
PLOG / +1.00000E+001 +8.26634525E+010 +4.47123199E-001 +1.51368479E+004/
PLOG / +1.00000E+002 +6.63627760E+005 +2.02700408E+000 +1.50365637E+004/
DUP

C4H61-3+HO2<=>C2H3CHOCH2+OH        +2.56235603E+009 +9.97479450E-001 +2.00065662E+004  !\Author: SD !\Ref: Zhu, Yuxiang, and Chong-Wen Zhou. Combustion and Flame 221 (2020): 241-255. !\Comment: WARNING 
PLOG / +1.00000E-002 +7.14782974E+001 +3.03324132E+000 +1.26254130E+004/
PLOG / +1.00000E-001 +4.06152112E+003 +2.53004181E+000 +1.36650247E+004/
PLOG / +1.00000E+000 +9.99724099E+006 +1.56549291E+000 +1.58400722E+004/
PLOG / +1.00000E+001 +1.56450599E+010 +6.85700076E-001 +1.85094315E+004/
PLOG / +1.00000E+002 +2.56235603E+009 +9.97479450E-001 +2.00065662E+004/
DUP

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH_ALLYLIC_RADICAL+HO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 

C4H61-3OOH4+HO2<=>C4H61-3,4OOH                    +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !C5H81OOH4-3+HO2<=>C5H81-3,4OOH \Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.91000000E+031 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +6.31000000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +1.03000000E+045 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +2.79000000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 /
C4H61-3OOH4+HO2<=>C4H6O1-3OOH4+OH                 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !C5H81OOH4-3+HO2<=>C5H81O-3-4OOH+OH \Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
C4H61-3OOH4+HO2<=>C4H61KET34+H2O                  +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 !C5H81OOH4-3+HO2<=>C5H81KET34+H2O \Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.09000000E+000 +3.01000000E+000 -3.42110000E+003 /
PLOG /                           +1.00000000E-001 +6.35000000E+001 +2.50000000E+000 -2.34140000E+003 /
PLOG /                           +1.00000000E+000 +6.05000000E+005 +1.39000000E+000 +5.95100000E+002 /
PLOG /                           +1.00000000E+001 +3.10000000E+005 +1.59000000E+000 +2.67760000E+003 /
PLOG /                           +1.00000000E+002 +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 /
C4H61-3,4OOH<=>C4H6O1-3OOH4+OH                    +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !C5H81-3,4OOH<=>C5H81O-3-4OOH+OH \Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C4H61-3,4OOH<=>C4H61KET34+H2O                     +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 !C5H81-3,4OOH<=>C5H81KET34+H2O \Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.99000000E+050 -1.27000000E+001 +5.35319000E+004 /
PLOG /                           +1.00000000E-001 +4.72000000E+047 -1.15000000E+001 +5.43609000E+004 /
PLOG /                           +1.00000000E+000 +1.50000000E+040 -8.84000000E+000 +5.31792000E+004 /
PLOG /                           +1.00000000E+001 +2.54000000E+028 -5.00000000E+000 +4.99194000E+004 /
PLOG /                           +1.00000000E+002 +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 /

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH+O2
!___________________________________________________________________________________________________________ 
C4H61OOH3-4+O2<=>C4H61-OOH3-OO4                   +3.43100000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: SD !\Ref: A. MIYOSHI. INT. J. CHEM. KIN. 2012, 44, 1, 59-74. !\Comment: WARNING 
C4H61-OOH3-OO4<=>C4H61KET34+OH                    +2.76000000E+008 +1.20000000E+000 +2.57000000E+004 !\Author: WARNING !\Ref: SHARMA ET AL. JPCA, 2010, 114, 5689-5701. !COMMENT !\Comment: WARNING 
C4H61KET34=>CH2O+C2H3CO+OH                        +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C4H61-OOH3-OO4<=>C4H61-2OOH34                     +1.64000000E+007 +1.30000000E+000 +2.53000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: 15P EA+3.8 KCAL/MOL 
C4H61-2OOH34+O2<=>C4H61-OOH34-OO2                 +4.39000000E+011 +3.25000000E-001 -4.17300000E+002 !\Author: WARNING !\Ref: A. MIYOSHI. INT. J. CHEM. KIN. 2012, 44, 1, 59-74 !COMMENT !\Comment: WARNING 
C4H61-OOH34-OO2<=>C4H412-OOH34+HO2                +2.44000000E+013 -2.53000000E-001 +3.25900000E+004 !\Author: WARNING !\Ref: H. SUN, ET AL., J. PHYS. CHEM. A., 2007, 111, 4974. !\Comment: WARNING 
C4H61-OOH34-OO2<=>C3H3CHO-OOH23+OH                +1.09800000E+004 +2.40000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C4H412-OOH34=>2OH+CH2O+CH2CCO                     +1.05000000E+016 +0.00000000E+000 +4.26000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C3H3CHO-OOH23=>2OH+CH2CO+CHOCHO                   +1.05000000E+016 +0.00000000E+000 +4.26000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C4H61-2OOH34+O2<=>C4H4O-OOH24+OH                  +2.76000000E+008 +1.20000000E+000 +2.57000000E+004 !\Author: WARNING !\Ref: SHARMA ET AL. JPCA, 2010, 114, 5689-5701. !COMMENT !\Comment: WARNING 
C4H4O-OOH24=>CH2CO+CH2O+CO+2OH                    +1.05000000E+016 +0.00000000E+000 +4.26000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C4H61-3OOH4+O2<=>C4H61OOH4-3O2                    +4.57000000E+002 +2.17900000E+000 -2.20000000E+003 !\Author: SD !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
!DONG 0515!C4H61OOH4-3O2<=>C4H61KET43+OH                     +2.44000000E+007 +1.60000000E+000 +2.79000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C4H61OOH4-3O2<=>C4H61KET43+OH                     +2.44000000E+008 +1.60000000E+000 +2.79000000E+004 !A*10, \Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 

!DONG 211117!C4H61KET43=>C4H61KET43O+OH                        +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H61KET43O=>C2H3+CHOCHO                          +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

C4H61KET43=>C4H61KET43O+OH                +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: SD !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /

C4H61KET43O=>C2H3CHO+HCO                           +5.51000000E+022 -2.76000000E+000 +1.39800000E+004 !\Author: SD !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 

C4H61OOH3-4<=>C2H3CHOCH2+OH                       +1.44000000E+016 -1.17800000E+000 +1.05000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
!DONG 0917!C4H61OOH3-4<=>C2H3CHOCH2+OH     +1.53996665E+021 -2.79446414E+000 +1.51641154E+004  !\Author: SD !\Ref: Zhu, Yuxiang, and Chong-Wen Zhou. Combustion and Flame 221 (2020): 241-255. !\Comment: WARNING 
!DONG 0504!PLOG / +1.00000E-002 +4.21788591E+042 -1.10706412E+001 +1.72668444E+004/
!DONG 0504!PLOG / +1.00000E-001 +2.86687781E+046 -1.18596575E+001 +1.92741468E+004/
!DONG 0504!PLOG / +1.00000E+000 +9.23757096E+038 -8.98669383E+000 +1.85488906E+004/
!DONG 0504!PLOG / +1.00000E+001 +1.24562671E+029 -5.49707908E+000 +1.68272695E+004/
!DONG 0504!PLOG / +1.00000E+002 +1.53996665E+021 -2.79446414E+000 +1.51641154E+004/ 

C4H61-3OOH4<=>C2H3CHOCH2+OH                       +1.71000000E+016 -1.21800000E+000 +2.79000000E+004 !C5H81OOH4-3<=>C5H81O3-4+OH \Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
!DONG 0504!C4H61-3OOH4<=>C2H3CHOCH2+OH     +1.95278310E+019 -2.02236350E+000 +2.10266090E+004  !\Author: SD !\Ref: Zhu, Yuxiang, and Chong-Wen Zhou. Combustion and Flame 221 (2020): 241-255. !\Comment: WARNING 
!DONG 0504!PLOG / +1.00000E-002 +1.01151092E+048 -1.20825200E+001 +2.62735352E+004/
!DONG 0504!PLOG / +1.00000E-001 +5.34914080E+041 -9.71890774E+000 +2.56260988E+004/
!DONG 0504!PLOG / +1.00000E+000 +1.63885669E+033 -6.72777388E+000 +2.41137319E+004/
!DONG 0504!PLOG / +1.00000E+001 +1.96688734E+024 -3.70816180E+000 +2.21446908E+004/
!DONG 0504!PLOG / +1.00000E+002 +1.95278310E+019 -2.02236350E+000 +2.10266090E+004/

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: C4H5-I+O2<=>RO2
!___________________________________________________________________________________________________________ 
C4H5-I+O2<=>C4H512-OO4                            +5.43000000E+063 -1.64400000E+001 +2.25200000E+004 !\Author: SD !\Ref: RUTZ ET AL., JPCA, 2011, 115, 1018-1026. !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.60000000E+078 -2.30400000E+001 +1.78200000E+004 /
PLOG /                           +1.00000000E-002 +3.16000000E+085 -2.46700000E+001 +2.28000000E+004 /
PLOG /                           +1.00000000E-001 +9.50000000E+087 -2.48500000E+001 +2.65400000E+004 /
PLOG /                           +1.00000000E+000 +4.64000000E+083 -2.30900000E+001 +2.71500000E+004 /
PLOG /                           +1.00000000E+001 +5.63000000E+074 -2.00400000E+001 +2.54100000E+004 /
PLOG /                           +1.00000000E+002 +5.43000000E+063 -1.64400000E+001 +2.25200000E+004 /
C4H5-I+O2<=>C4H513-OO2                            +4.82000000E+026 -4.75000000E+000 +1.53500000E+004 !\Author: SD !\Ref: RUTZ ET AL., JPCA, 2011, 115, 1018-1026. !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +3.64000000E+075 -2.13900000E+001 +1.88900000E+004 /
PLOG /                           +1.00000000E-002 +3.15000000E+075 -2.07900000E+001 +2.17700000E+004 /
PLOG /                           +1.00000000E-001 +1.28000000E+068 -1.80500000E+001 +2.23600000E+004 /
PLOG /                           +1.00000000E+000 +1.57000000E+054 -1.34600000E+001 +2.03400000E+004 /
PLOG /                           +1.00000000E+001 +4.33000000E+035 -7.60000000E+000 +1.61700000E+004 /
PLOG /                           +1.00000000E+002 +4.82000000E+026 -4.75000000E+000 +1.53500000E+004 /
!DONG 211225 TEST!C4H5-I+O2<=>CYCCCOO-3J                            +3.23000000E+066 -1.71400000E+001 +2.01200000E+004 !\Author: SD !\Ref: RUTZ ET AL., JPCA, 2011, 115, 1018-1026. !\Comment: WARNING 
!DONG 211225 TEST!PLOG /                           +1.00000000E-003 +9.25000000E+088 -2.59500000E+001 +2.09000000E+004 /
!DONG 211225 TEST!PLOG /                           +1.00000000E-002 +1.44000000E+092 -2.63900000E+001 +2.34900000E+004 /
!DONG 211225 TEST!PLOG /                           +1.00000000E-001 +3.51000000E+089 -2.51100000E+001 +2.43200000E+004 /
!DONG 211225 TEST!PLOG /                           +1.00000000E+000 +4.39000000E+081 -2.23200000E+001 +2.30500000E+004 /
!DONG 211225 TEST!PLOG /                           +1.00000000E+001 +1.76000000E+071 -1.88500000E+001 +2.06100000E+004 /
!DONG 211225 TEST!PLOG /                           +1.00000000E+002 +3.23000000E+066 -1.71400000E+001 +2.01200000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: C4H5-I+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C4H5-I+O2<=>C2H3COCH2+O                           +1.04000000E-001 +3.80000000E+000 +1.00700000E+004 !\Author: SD !\Ref: RUTZ ET AL., JPCA, 2011, 115, 1018-1026. !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +6.71000000E+004 +1.80000000E+000 +5.16000000E+002 /
PLOG /                           +1.00000000E-002 +4.38000000E+007 +1.00000000E+000 +6.86000000E+003 /
PLOG /                           +1.00000000E-001 +1.77000000E+011 -1.00000000E-002 +9.53000000E+003 /
PLOG /                           +1.00000000E+000 +1.02000000E+012 -1.60000000E-001 +1.15300000E+004 /
PLOG /                           +1.00000000E+001 +6.11000000E+007 +1.16000000E+000 +1.17200000E+004 /
PLOG /                           +1.00000000E+002 +1.04000000E-001 +3.80000000E+000 +1.00700000E+004 /
C4H5-I+O2<=>C2H3CO+CH2O                           +2.19000000E+009 +1.08000000E+000 +1.24200000E+004 !\Author: SD !\Ref: RUTZ ET AL., JPCA, 2011, 115, 1018-1026. !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.50000000E+015 -1.08000000E+000 +3.77000000E+003 /
PLOG /                           +1.00000000E-002 +3.88000000E+018 -2.05000000E+000 +6.06000000E+003 /
PLOG /                           +1.00000000E-001 +6.85000000E+020 -2.64000000E+000 +8.49000000E+003 /
PLOG /                           +1.00000000E+000 +4.52000000E+019 -2.20000000E+000 +9.99000000E+003 /
PLOG /                           +1.00000000E+001 +8.21000000E+015 -1.00000000E+000 +1.11100000E+004 /
PLOG /                           +1.00000000E+002 +2.19000000E+009 +1.08000000E+000 +1.24200000E+004 /
C4H5-I+O2<=>CH2CHO+CH2CO                          +1.53000000E+006 +1.71000000E+000 +1.41900000E+004 !\Author: SD !\Ref: RUTZ ET AL., JPCA, 2011, 115, 1018-1026. !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +3.09000000E+007 +9.10000000E-001 +4.48000000E+003 /
PLOG /                           +1.00000000E-002 +7.45000000E+010 -5.00000000E-002 +6.56000000E+003 /
PLOG /                           +1.00000000E-001 +3.23000000E+014 -1.06000000E+000 +9.38000000E+003 /
PLOG /                           +1.00000000E+000 +7.40000000E+015 -1.37000000E+000 +1.19100000E+004 /
PLOG /                           +1.00000000E+001 +1.80000000E+014 -7.90000000E-001 +1.40000000E+004 /
PLOG /                           +1.00000000E+002 +1.53000000E+006 +1.71000000E+000 +1.41900000E+004 /
C4H5-I+O2<=>C4H4+HO2                              +7.96000000E+001 +3.10000000E+000 +1.26900000E+004 !\Author: SD !\Ref: RUTZ ET AL., JPCA, 2011, 115, 1018-1026. !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.53000000E+004 +2.17000000E+000 +6.80000000E+003 /
PLOG /                           +1.00000000E-002 +1.82000000E+006 +1.58000000E+000 +8.03000000E+003 /
PLOG /                           +1.00000000E-001 +7.56000000E+009 +5.60000000E-001 +1.05500000E+004 /
PLOG /                           +1.00000000E+000 +2.14000000E+011 +2.10000000E-001 +1.27600000E+004 /
PLOG /                           +1.00000000E+001 +6.79000000E+007 +1.31000000E+000 +1.32200000E+004 /
PLOG /                           +1.00000000E+002 +7.96000000E+001 +3.10000000E+000 +1.26900000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>QOOH
!___________________________________________________________________________________________________________ 
C4H512-OO4<=>C4H513-OO2                           +5.08000000E+073 -1.67000000E+001 +9.47800000E+004 !\Author: WARNING !\Ref: RUTZ ET AL., JPCA, 2011, 115, 1018-1026. !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.01000000E+071 -1.74000000E+001 +9.36400000E+004 /
PLOG /                           +1.00000000E-002 +1.02000000E+072 -1.74000000E+001 +9.36500000E+004 /
PLOG /                           +1.00000000E-001 +1.10000000E+073 -1.74100000E+001 +9.36700000E+004 /
PLOG /                           +1.00000000E+000 +1.92000000E+074 -1.74700000E+001 +9.38900000E+004 /
PLOG /                           +1.00000000E+001 +4.82000000E+075 -1.75700000E+001 +9.46900000E+004 /
PLOG /                           +1.00000000E+002 +5.08000000E+073 -1.67000000E+001 +9.47800000E+004 /
C4H512-OO4<=>CYCCCOO-3J                           +4.95000000E+073 -1.65900000E+001 +9.47800000E+004 !\Author: WARNING !\Ref: RUTZ ET AL., JPCA, 2011, 115, 1018-1026. !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +9.88000000E+070 -1.72900000E+001 +9.36400000E+004 /
PLOG /                           +1.00000000E-002 +9.95000000E+071 -1.72900000E+001 +9.36500000E+004 /
PLOG /                           +1.00000000E-001 +1.07000000E+073 -1.73000000E+001 +9.36700000E+004 /
PLOG /                           +1.00000000E+000 +1.88000000E+074 -1.73600000E+001 +9.38900000E+004 /
PLOG /                           +1.00000000E+001 +4.72000000E+075 -1.74600000E+001 +9.46900000E+004 /
PLOG /                           +1.00000000E+002 +4.95000000E+073 -1.65900000E+001 +9.47800000E+004 /
C4H513-OO2<=>CYCCCOO-3J                           +5.04000000E+063 -1.36300000E+001 +8.86000000E+004 !\Author: WARNING !\Ref: RUTZ ET AL., JPCA, 2011, 115, 1018-1026. !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.86000000E+071 -1.71700000E+001 +8.97500000E+004 /
PLOG /                           +1.00000000E-002 +2.41000000E+072 -1.72000000E+001 +8.98500000E+004 /
PLOG /                           +1.00000000E-001 +7.42000000E+073 -1.73300000E+001 +9.04200000E+004 /
PLOG /                           +1.00000000E+000 +4.07000000E+073 -1.69400000E+001 +9.10300000E+004 /
PLOG /                           +1.00000000E+001 +1.74000000E+069 -1.54200000E+001 +9.01700000E+004 /
PLOG /                           +1.00000000E+002 +5.04000000E+063 -1.36300000E+001 +8.86000000E+004 /
CYCCCOO-3J<=>CH2CYCOO-CH2                         +1.33000000E+075 -1.70000000E+001 +8.57900000E+004 !\Author: WARNING !\Ref: RUTZ ET AL., JPCA, 2011, 115, 1018-1026. !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +3.18000000E+072 -1.77100000E+001 +8.47400000E+004 /
PLOG /                           +1.00000000E-002 +3.20000000E+073 -1.77100000E+001 +8.47400000E+004 /
PLOG /                           +1.00000000E-001 +3.41000000E+074 -1.77200000E+001 +8.47600000E+004 /
PLOG /                           +1.00000000E+000 +5.54000000E+075 -1.77800000E+001 +8.49600000E+004 /
PLOG /                           +1.00000000E+001 +1.04000000E+077 -1.78500000E+001 +8.57100000E+004 /
PLOG /                           +1.00000000E+002 +1.33000000E+075 -1.70000000E+001 +8.57900000E+004 /
CYCCCOO-3J<=>CYCOOC-CH2                           +6.32000000E+073 -1.70300000E+001 +8.57700000E+004 !\Author: WARNING !\Ref: RUTZ ET AL., JPCA, 2011, 115, 1018-1026. !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.75000000E+071 -1.77600000E+001 +8.47100000E+004 /
PLOG /                           +1.00000000E-002 +1.76000000E+072 -1.77600000E+001 +8.47100000E+004 /
PLOG /                           +1.00000000E-001 +1.87000000E+073 -1.77700000E+001 +8.47400000E+004 /
PLOG /                           +1.00000000E+000 +3.06000000E+074 -1.78300000E+001 +8.49400000E+004 /
PLOG /                           +1.00000000E+001 +5.92000000E+075 -1.79000000E+001 +8.56900000E+004 /
PLOG /                           +1.00000000E+002 +6.32000000E+073 -1.70300000E+001 +8.57700000E+004 /
CH2CYCOO-CH2<=>C2H3COOCH2                         +2.61000000E+079 -1.81800000E+001 +9.05900000E+004 !\Author: WARNING !\Ref: RUTZ ET AL., JPCA, 2011, 115, 1018-1026. !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.46000000E+074 -1.81300000E+001 +8.97800000E+004 /
PLOG /                           +1.00000000E-002 +1.46000000E+075 -1.81300000E+001 +8.97800000E+004 /
PLOG /                           +1.00000000E-001 +1.46000000E+076 -1.81300000E+001 +8.97800000E+004 /
PLOG /                           +1.00000000E+000 +1.53000000E+077 -1.81300000E+001 +8.98000000E+004 /
PLOG /                           +1.00000000E+001 +2.18000000E+078 -1.81700000E+001 +8.99600000E+004 /
PLOG /                           +1.00000000E+002 +2.61000000E+079 -1.81800000E+001 +9.05900000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CYCCCOO-3J<=>C2H3COCH2+O                          +2.68000000E+072 -1.67700000E+001 +8.57300000E+004 !\Author: WARNING !\Ref: RUTZ ET AL., JPCA, 2011, 115, 1018-1026. !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +9.32000000E+069 -1.75500000E+001 +8.46800000E+004 /
PLOG /                           +1.00000000E-002 +9.38000000E+070 -1.75500000E+001 +8.46800000E+004 /
PLOG /                           +1.00000000E-001 +9.99000000E+071 -1.75600000E+001 +8.47000000E+004 /
PLOG /                           +1.00000000E+000 +1.64000000E+073 -1.76200000E+001 +8.49000000E+004 /
PLOG /                           +1.00000000E+001 +3.33000000E+074 -1.76900000E+001 +8.56600000E+004 /
PLOG /                           +1.00000000E+002 +2.68000000E+072 -1.67700000E+001 +8.57300000E+004 /
CYCCCOO-3J<=>C4H4+HO2                             +6.16000000E+071 -1.64800000E+001 +8.57100000E+004 !\Author: WARNING !\Ref: RUTZ ET AL., JPCA, 2011, 115, 1018-1026. !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +2.31000000E+069 -1.72700000E+001 +8.46600000E+004 /
PLOG /                           +1.00000000E-002 +2.33000000E+070 -1.72700000E+001 +8.46600000E+004 /
PLOG /                           +1.00000000E-001 +2.48000000E+071 -1.72800000E+001 +8.46900000E+004 /
PLOG /                           +1.00000000E+000 +4.09000000E+072 -1.73400000E+001 +8.48900000E+004 /
PLOG /                           +1.00000000E+001 +8.42000000E+073 -1.74100000E+001 +8.56500000E+004 /
PLOG /                           +1.00000000E+002 +6.16000000E+071 -1.64800000E+001 +8.57100000E+004 /
CYCOOC-CH2<=>CH2CHO+CH2CO                         +3.50000000E+079 -1.79700000E+001 +9.98300000E+004 !\Author: WARNING !\Ref: RUTZ ET AL., JPCA, 2011, 115, 1018-1026. !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.07000000E+074 -1.78300000E+001 +9.89900000E+004 /
PLOG /                           +1.00000000E-002 +1.07000000E+075 -1.78300000E+001 +9.89900000E+004 /
PLOG /                           +1.00000000E-001 +1.08000000E+076 -1.78300000E+001 +9.89900000E+004 /
PLOG /                           +1.00000000E+000 +1.13000000E+077 -1.78400000E+001 +9.90100000E+004 /
PLOG /                           +1.00000000E+001 +1.66000000E+078 -1.78800000E+001 +9.91700000E+004 /
PLOG /                           +1.00000000E+002 +3.50000000E+079 -1.79700000E+001 +9.98300000E+004 /
C2H3COOCH2<=>C2H3CO+CH2O                          +6.21000000E+019 -1.99000000E+000 +2.89900000E+004 !\Author: WARNING !\Ref: RUTZ ET AL., JPCA, 2011, 115, 1018-1026. !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +5.71000000E+043 -1.04000000E+001 +3.31500000E+004 /
PLOG /                           +1.00000000E-002 +1.47000000E+043 -9.90000000E+000 +3.41300000E+004 /
PLOG /                           +1.00000000E-001 +1.42000000E+040 -8.71000000E+000 +3.41400000E+004 /
PLOG /                           +1.00000000E+000 +3.42000000E+033 -6.46000000E+000 +3.27300000E+004 /
PLOG /                           +1.00000000E+001 +4.30000000E+026 -4.19000000E+000 +3.09600000E+004 /
PLOG /                           +1.00000000E+002 +6.21000000E+019 -1.99000000E+000 +2.89900000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: C4H5-I+HO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
!DONG 0504!C4H5-I+HO2<=>C3H3CH2OOH                           +1.02000000E+012 +6.00000000E-001 -2.10600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0504!C3H3CH2OOH<=>C3H3CH2O+OH                          +3.10000000E+016 -1.50000000E+000 +4.28794600E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0504!C3H3CH2O<=>C3H3+CH2O                              +2.70000000E+014 +0.00000000E+000 +2.39036100E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0504!C3H3CH2O<=>C3H3CHO+H                              +3.50000000E+012 +1.00000000E+000 +1.85585800E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0504!C3H3CHO+OH=>C3H3+CO+H2O                           +3.73000000E+004 +2.60000000E+000 -2.30000000E+003 !\Author: SP !\Ref: ABSTRACTIONS ALDEHYDIC H BY OH_RATE RULE KUKKADAPU1.LLNL.GOV !\Comment: WARNING 
!DONG 0504!C3H3CHO+HO2=>C3H3+CO+H2O2                         +1.17730000E-004 +4.92000000E+000 +3.68430000E+003 !\Author: WARNING !\Ref: J. MENDES, C-W ZHOU, AND H. J. CURRAN. JPCA, 2014, 118, 12089-12104. !\Comment: WARNING 
!DONG 0504!C3H3CHO+CH3=>C3H3+CO+CH4                          +1.24879000E+000 +3.63000000E+000 +4.32890000E+003 !\Author: WARNING !\Ref: J. MENDES, C-W ZHOU, AND H. J. CURRAN. JPCA, 2014, 118, 12089-12104. !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: C4H5-N+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
!C4H5-N+O2<=>NC4H5O2                               +3.41000000E+039 -8.04000000E+000 +1.43600000E+004 !\Author: SD !\Ref: ANALOGY TO C2H3+O2 FROM GOLDSMITH ET AL. JPCA, 2015, 119, 7766-7779. !\Comment: WARNING 
!PLOG /                           +1.00000000E-002 +1.55000000E+024 -5.45000000E+000 +9.66200000E+003 /
!PLOG /                           +1.00000000E-002 +1.78000000E-009 +4.15000000E+000 -4.70700000E+003 /
!PLOG /                           +1.00000000E-001 +3.48000000E+056 -1.50100000E+001 +1.91600000E+004 /
!PLOG /                           +1.00000000E-001 +2.36000000E+022 -4.52000000E+000 +2.83900000E+003 /
!PLOG /                           +3.16000000E-001 +1.25000000E+064 -1.69700000E+001 +2.12900000E+004 /
!PLOG /                           +3.16000000E-001 +2.00000000E+026 -5.43000000E+000 +2.72500000E+003 /
!PLOG /                           +1.00000000E+000 +3.34000000E+061 -1.57900000E+001 +2.01500000E+004 /
!PLOG /                           +1.00000000E+000 +6.13000000E+028 -5.89000000E+000 +3.15400000E+003 /
!PLOG /                           +3.16000000E+000 +7.34000000E+053 -1.31100000E+001 +1.73000000E+004 /
!PLOG /                           +3.16000000E+000 +2.14000000E+029 -5.80000000E+000 +3.52000000E+003 /
!PLOG /                           +1.00000000E+001 +4.16000000E+048 -1.12100000E+001 +1.60000000E+004 /
!PLOG /                           +1.00000000E+001 +3.48000000E+028 -5.37000000E+000 +3.63600000E+003 /
!PLOG /                           +3.16000000E+001 +2.33000000E+043 -9.38000000E+000 +1.48100000E+004 /
!PLOG /                           +3.16000000E+001 +3.32000000E+027 -4.95000000E+000 +3.61000000E+003 /
!PLOG /                           +1.00000000E+002 +3.41000000E+039 -8.04000000E+000 +1.43600000E+004 /
!PLOG /                           +1.00000000E+002 +1.03000000E+027 -4.72000000E+000 +3.68000000E+003 /
!C4H5-N+O2<=>CH2CHCHCHO+O                          +9.28000000E+025 -3.80000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H3+O2 FROM GOLDSMITH ET AL. JPCA, 2015, 119, 7766-7779. !\Comment: WARNING 
!PLOG /                           +1.00000000E-002 +7.16000000E+020 -2.67000000E+000 +6.74200000E+003 /
!PLOG /                           +1.00000000E-002 +1.24000000E+010 +6.20000000E-001 -2.77600000E+002 /
!PLOG /                           +1.00000000E-001 +7.02000000E+020 -2.67000000E+000 +6.71300000E+003 /
!PLOG /                           +1.00000000E-001 +1.29000000E+010 +6.20000000E-001 -2.47700000E+002 /
!PLOG /                           +3.16000000E-001 +8.97000000E+020 -2.70000000E+000 +6.72400000E+003 /
!PLOG /                           +3.16000000E-001 +1.51000000E+010 +6.00000000E-001 -1.62500000E+002 /
!PLOG /                           +1.00000000E+000 +6.45000000E+020 -2.65000000E+000 +6.48900000E+003 /
!PLOG /                           +1.00000000E+000 +1.84000000E+010 +5.80000000E-001 +3.84000000E+001 /
!PLOG /                           +3.16000000E+000 +4.09000000E+020 -2.53000000E+000 +6.40600000E+003 /
!PLOG /                           +3.16000000E+000 +8.86000000E+009 +6.70000000E-001 +2.48000000E+002 /
!PLOG /                           +1.00000000E+001 +1.60000000E+023 -3.22000000E+000 +8.69700000E+003 /
!PLOG /                           +1.00000000E+001 +6.67000000E+009 +7.20000000E-001 +7.78100000E+002 /
!PLOG /                           +3.16000000E+001 +2.85000000E+025 -3.77000000E+000 +1.15300000E+004 /
!PLOG /                           +3.16000000E+001 +1.43000000E+009 +9.20000000E-001 +1.21900000E+003 /
!PLOG /                           +1.00000000E+002 +9.28000000E+025 -3.80000000E+000 +1.39100000E+004 /
!PLOG /                           +1.00000000E+002 +7.14000000E+007 +1.28000000E+000 +1.40100000E+003 /

C4H5-N+O2<=>CH2CHCHCHO+O                          +7.25180000E+031 -5.32200000E+000 +1.48690000E+004 !10 times faster \Author: SD !\Ref: Porfiriev, Denis P., ET AL. Physical Chemistry Chemical Physics (2021). !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.59990000E+031 -5.30450000E+000 +1.47740000E+004 /
PLOG /                           +1.00000000E-002 +2.41640000E+015 -7.05800000E-001 +1.76520000E+003 /
PLOG /                           +1.00000000E-001 +1.31390000E+031 -5.22040000E+000 +1.45630000E+004 /
PLOG /                           +1.00000000E-001 +2.42950000E+015 -7.06940000E-001 +1.76540000E+003 /
PLOG /                           +1.00000000E+000 +3.07130000E+031 -5.33020000E+000 +1.48350000E+004 /
PLOG /                           +1.00000000E+000 +3.23780000E+015 -7.39460000E-001 +1.87000000E+003 /
PLOG /                           +1.00000000E+001 +1.56740000E+034 -6.19030000E+000 +1.62810000E+004 /
PLOG /                           +1.00000000E+001 +1.87780000E+017 -1.20780000E+000 +3.39080000E+003 /
PLOG /                           +1.00000000E+002 +7.25180000E+031 -5.32200000E+000 +1.48690000E+004 /
PLOG /                           +1.00000000E+002 +1.09160000E+014 -3.13640000E-001 +3.11120000E+003 /

!C4H5-N+O2<=>CH2CHCHCHO+O                          +7.25180000E+030 -5.32200000E+000 +1.48690000E+004 !A*0.1 FOR TEST \Author: SD !\Ref: Porfiriev, Denis P., ET AL. Physical Chemistry Chemical Physics (2021). !\Comment: WARNING 
!PLOG /                           +1.00000000E-002 +2.59990000E+030 -5.30450000E+000 +1.47740000E+004 /
!PLOG /                           +1.00000000E-002 +2.41640000E+014 -7.05800000E-001 +1.76520000E+003 /
!PLOG /                           +1.00000000E-001 +1.31390000E+030 -5.22040000E+000 +1.45630000E+004 /
!PLOG /                           +1.00000000E-001 +2.42950000E+014 -7.06940000E-001 +1.76540000E+003 /
!PLOG /                           +1.00000000E+000 +3.07130000E+030 -5.33020000E+000 +1.48350000E+004 /
!PLOG /                           +1.00000000E+000 +3.23780000E+014 -7.39460000E-001 +1.87000000E+003 /
!PLOG /                           +1.00000000E+001 +1.56740000E+033 -6.19030000E+000 +1.62810000E+004 /
!PLOG /                           +1.00000000E+001 +1.87780000E+016 -1.20780000E+000 +3.39080000E+003 /
!PLOG /                           +1.00000000E+002 +7.25180000E+030 -5.32200000E+000 +1.48690000E+004 /
!PLOG /                           +1.00000000E+002 +1.09160000E+013 -3.13640000E-001 +3.11120000E+003 /

C4H5-N+O2<=>C2H3CHO+HCO                           +1.92340000E+050 -1.07580000E+001 +2.67980000E+004 !\Author: SD !\Ref: Porfiriev, Denis P., ET AL. Physical Chemistry Chemical Physics (2021). !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.90480000E+028 -4.56770000E+000 +1.02750000E+004 /
PLOG /                           +1.00000000E-002 +2.09320000E+014 -5.77000000E-001 +1.79240000E+002 /
PLOG /                           +1.00000000E-001 +6.12900000E+019 -2.03960000E+000 +3.60960000E+003 /
PLOG /                           +1.00000000E+000 +6.96990000E+019 -2.05520000E+000 +3.64910000E+003 /
PLOG /                           +1.00000000E+001 +4.63220000E+020 -2.28070000E+000 +4.34550000E+003 /
PLOG /                           +1.00000000E+002 +1.92340000E+050 -1.07580000E+001 +2.67980000E+004 /
PLOG /                           +1.00000000E+002 +3.54020000E+022 -2.74480000E+000 +8.18540000E+003 /

!C4H5-N+O2<=>C2H3CHO+HCO                           +1.52000000E+033 -6.28000000E+000 +1.60000000E+004 !\Author: !HALF OF THE ANALOGY !\Ref: ANALOGY TO C2H3+O2 FROM GOLDSMITH ET AL. JPCA, 2015, 119, 7766-7779. !\Comment: WARNING 
!PLOG /                           +1.00000000E-002 +1.39000000E+036 -7.60000000E+000 +1.26400000E+004 /
!PLOG /                           +1.00000000E-002 +2.52000000E+015 -1.28000000E+000 +5.15300000E+002 /
!PLOG /                           +1.00000000E-001 +1.35000000E+036 -7.60000000E+000 +1.26100000E+004 /
!PLOG /                           +1.00000000E-001 +2.55000000E+015 -1.28000000E+000 +5.13000000E+002 /
!PLOG /                           +3.16000000E-001 +1.09000000E+036 -7.57000000E+000 +1.24900000E+004 /
!PLOG /                           +3.16000000E-001 +2.67000000E+015 -1.29000000E+000 +5.20600000E+002 /
!PLOG /                           +1.00000000E+000 +1.52000000E+035 -7.32000000E+000 +1.18200000E+004 /
!PLOG /                           +1.00000000E+000 +3.38000000E+015 -1.31000000E+000 +6.45700000E+002 /
!PLOG /                           +3.16000000E+000 +7.95000000E+035 -7.47000000E+000 +1.24600000E+004 /
!PLOG /                           +3.16000000E+000 +5.25000000E+015 -1.36000000E+000 +1.06600000E+003 /
!PLOG /                           +1.00000000E+001 +2.88000000E+035 -7.20000000E+000 +1.34300000E+004 /
!PLOG /                           +1.00000000E+001 +1.42000000E+015 -1.18000000E+000 +1.42900000E+003 /
!PLOG /                           +3.16000000E+001 +1.77000000E+020 -2.57000000E+000 +5.57800000E+003 /
!PLOG /                           +3.16000000E+001 +5.70000000E+068 -1.92300000E+001 +1.47600000E+004 /
!PLOG /                           +1.00000000E+002 +1.52000000E+033 -6.28000000E+000 +1.60000000E+004 /
!PLOG /                           +1.00000000E+002 +2.34000000E+010 +1.90000000E-001 +8.30600000E+002 /
!C4H5-N+O2=>C2H3CHO+H+CO                           +3.54000000E+033 -6.28000000E+000 +1.60000000E+004 !\Author: !HALF OF THE ANALOGY !\Ref: ANALOGY TO C2H3+O2 FROM GOLDSMITH ET AL. JPCA, 2015, 119, 7766-7779. !\Comment: WARNING 
!PLOG /                           +1.00000000E-002 +3.24000000E+036 -7.60000000E+000 +1.26400000E+004 /
!PLOG /                           +1.00000000E-002 +5.90000000E+015 -1.28000000E+000 +5.15300000E+002 /
!PLOG /                           +1.00000000E-001 +3.15000000E+036 -7.60000000E+000 +1.26100000E+004 /
!PLOG /                           +1.00000000E-001 +5.95000000E+015 -1.28000000E+000 +5.13000000E+002 /
!PLOG /                           +3.16000000E-001 +2.53000000E+036 -7.57000000E+000 +1.24900000E+004 /
!PLOG /                           +3.16000000E-001 +6.25000000E+015 -1.29000000E+000 +5.20600000E+002 /
!PLOG /                           +1.00000000E+000 +3.54000000E+035 -7.32000000E+000 +1.18200000E+004 /
!PLOG /                           +1.00000000E+000 +7.90000000E+015 -1.31000000E+000 +6.45700000E+002 /
!PLOG /                           +3.16000000E+000 +1.86000000E+036 -7.47000000E+000 +1.24600000E+004 /
!PLOG /                           +3.16000000E+000 +1.22000000E+016 -1.36000000E+000 +1.06600000E+003 /
!PLOG /                           +1.00000000E+001 +6.70000000E+035 -7.20000000E+000 +1.34300000E+004 /
!PLOG /                           +1.00000000E+001 +3.32000000E+015 -1.18000000E+000 +1.42900000E+003 /
!PLOG /                           +3.16000000E+001 +4.13000000E+020 -2.57000000E+000 +5.57800000E+003 /
!PLOG /                           +3.16000000E+001 +1.33000000E+069 -1.92300000E+001 +1.47600000E+004 /
!PLOG /                           +1.00000000E+002 +3.54000000E+033 -6.28000000E+000 +1.60000000E+004 /
!PLOG /                           +1.00000000E+002 +5.45000000E+010 +1.90000000E-001 +8.30600000E+002 /

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
!NC4H5O2<=>CH2CHCHCHO+O                            +4.30000000E+048 -1.03100000E+001 +5.60900000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H3+O2 FROM GOLDSMITH ET AL. JPCA, 2015, 119, 7766-7779. !\Comment: WARNING 
!PLOG /                           +1.00000000E-002 +2.70000000E+180 -4.81900000E+001 +1.69300000E+005 /
!PLOG /                           +1.00000000E-002 +1.47000000E+030 -6.64000000E+000 +4.11100000E+004 /
!PLOG /                           +1.00000000E-001 +3.90000000E+038 -8.69000000E+000 +4.27700000E+004 /
!PLOG /                           +1.00000000E-001 +9.65000000E-012 +5.96000000E+000 +2.28900000E+004 /
!PLOG /                           +3.16000000E-001 +4.57000000E+047 -1.12100000E+001 +4.70500000E+004 /
!PLOG /                           +3.16000000E-001 +3.95000000E+022 -3.71000000E+000 +3.62700000E+004 /
!PLOG /                           +1.00000000E+000 +7.62000000E+081 -2.12800000E+001 +6.50800000E+004 /
!PLOG /                           +1.00000000E+000 +2.39000000E+033 -6.62000000E+000 +4.12800000E+004 /
!PLOG /                           +3.16000000E+000 +1.86000000E+068 -1.68300000E+001 +6.06800000E+004 /
!PLOG /                           +3.16000000E+000 +6.37000000E+031 -5.96000000E+000 +4.12600000E+004 /
!PLOG /                           +1.00000000E+001 +2.02000000E+055 -1.26900000E+001 +5.58400000E+004 /
!PLOG /                           +1.00000000E+001 +2.13000000E+029 -5.10000000E+000 +4.07100000E+004 /
!PLOG /                           +3.16000000E+001 +1.11000000E+053 -1.17900000E+001 +5.66900000E+004 /
!PLOG /                           +3.16000000E+001 +4.66000000E+027 -4.50000000E+000 +4.05300000E+004 /
!PLOG /                           +1.00000000E+002 +4.30000000E+048 -1.03100000E+001 +5.60900000E+004 /
!PLOG /                           +1.00000000E+002 +5.99000000E+025 -3.85000000E+000 +4.01200000E+004 /
!NC4H5O2<=>C2H3CHO+HCO                             +2.85000000E+029 -5.19000000E+000 +3.68000000E+004 !\Author: !HALF OF THE ANALOGY !\Ref: ANALOGY TO C2H3+O2 FROM GOLDSMITH ET AL. JPCA, 2015, 119, 7766-7779. !\Comment: WARNING 
!PLOG /                           +1.00000000E-002 +8.30000000E+173 -5.55200000E+001 +6.03200000E+004 /
!PLOG /                           +1.00000000E-002 +1.14000000E+035 -7.97000000E+000 +3.12800000E+004 /
!PLOG /                           +1.00000000E-001 +4.52000000E+066 -1.72500000E+001 +4.81200000E+004 /
!PLOG /                           +1.00000000E-001 +1.04000000E+026 -4.96000000E+000 +2.87800000E+004 /
!PLOG /                           +3.16000000E-001 +9.10000000E+042 -9.87000000E+000 +3.79600000E+004 /
!PLOG /                           +3.16000000E-001 +7.25000000E+019 -3.08000000E+000 +2.66300000E+004 /
!PLOG /                           +1.00000000E+000 +4.32000000E+033 -6.88000000E+000 +3.43700000E+004 /
!PLOG /                           +1.00000000E+000 +5.30000000E+129 -3.93800000E+001 +5.47000000E+004 /
!PLOG /                           +3.16000000E+000 +3.65000000E+171 -4.35300000E+001 +1.91900000E+005 /
!PLOG /                           +3.16000000E+000 +1.18000000E+034 -6.87000000E+000 +3.57000000E+004 /
!PLOG /                           +1.00000000E+001 +5.15000000E+031 -6.06000000E+000 +3.55000000E+004 /
!PLOG /                           +1.00000000E+001 +1.09000000E+175 -5.37800000E+001 +6.85000000E+004 /
!PLOG /                           +3.16000000E+001 +9.25000000E+033 -6.57000000E+000 +3.85100000E+004 /
!PLOG /                           +3.16000000E+001 +5.35000000E+184 -5.42200000E+001 +8.89900000E+004 /
!PLOG /                           +1.00000000E+002 +2.85000000E+029 -5.19000000E+000 +3.68000000E+004 /
!PLOG /                           +1.00000000E+002 +2.34000000E+002 +1.81000000E+000 +1.81000000E+004 /
!NC4H5O2<=>C2H3+CHOCHO                             +2.85000000E+029 -5.19000000E+000 +3.68000000E+004 !\Author: !HALF OF THE ANALOGY !\Ref: ANALOGY TO C2H3+O2 FROM GOLDSMITH ET AL. JPCA, 2015, 119, 7766-7779. !\Comment: WARNING 
!PLOG /                           +1.00000000E-002 +8.30000000E+173 -5.55200000E+001 +6.03200000E+004 /
!PLOG /                           +1.00000000E-002 +1.14000000E+035 -7.97000000E+000 +3.12800000E+004 /
!PLOG /                           +1.00000000E-001 +4.52000000E+066 -1.72500000E+001 +4.81200000E+004 /
!PLOG /                           +1.00000000E-001 +1.04000000E+026 -4.96000000E+000 +2.87800000E+004 /
!PLOG /                           +3.16000000E-001 +9.10000000E+042 -9.87000000E+000 +3.79600000E+004 /
!PLOG /                           +3.16000000E-001 +7.25000000E+019 -3.08000000E+000 +2.66300000E+004 /
!PLOG /                           +1.00000000E+000 +4.32000000E+033 -6.88000000E+000 +3.43700000E+004 /
!PLOG /                           +1.00000000E+000 +5.30000000E+129 -3.93800000E+001 +5.47000000E+004 /
!PLOG /                           +3.16000000E+000 +3.65000000E+171 -4.35300000E+001 +1.91900000E+005 /
!PLOG /                           +3.16000000E+000 +1.18000000E+034 -6.87000000E+000 +3.57000000E+004 /
!PLOG /                           +1.00000000E+001 +5.15000000E+031 -6.06000000E+000 +3.55000000E+004 /
!PLOG /                           +1.00000000E+001 +1.09000000E+175 -5.37800000E+001 +6.85000000E+004 /
!PLOG /                           +3.16000000E+001 +9.25000000E+033 -6.57000000E+000 +3.85100000E+004 /
!PLOG /                           +3.16000000E+001 +5.35000000E+184 -5.42200000E+001 +8.89900000E+004 /
!PLOG /                           +1.00000000E+002 +2.85000000E+029 -5.19000000E+000 +3.68000000E+004 /
!PLOG /                           +1.00000000E+002 +2.34000000E+002 +1.81000000E+000 +1.81000000E+004 /
!NC4H5O2=>C2H3CHO+H+CO                             +6.65000000E+029 -5.19000000E+000 +3.68000000E+004 !\Author: !HALF OF THE ANALOGY !\Ref: ANALOGY TO C2H3+O2 FROM GOLDSMITH ET AL. JPCA, 2015, 119, 7766-7779. !\Comment: WARNING 
!PLOG /                           +1.00000000E-002 +1.94000000E+174 -5.55200000E+001 +6.03200000E+004 /
!PLOG /                           +1.00000000E-002 +2.65000000E+035 -7.97000000E+000 +3.12800000E+004 /
!PLOG /                           +1.00000000E-001 +1.06000000E+067 -1.72500000E+001 +4.81200000E+004 /
!PLOG /                           +1.00000000E-001 +2.43000000E+026 -4.96000000E+000 +2.87800000E+004 /
!PLOG /                           +3.16000000E-001 +2.13000000E+043 -9.87000000E+000 +3.79600000E+004 /
!PLOG /                           +3.16000000E-001 +1.69000000E+020 -3.08000000E+000 +2.66300000E+004 /
!PLOG /                           +1.00000000E+000 +1.01000000E+034 -6.88000000E+000 +3.43700000E+004 /
!PLOG /                           +1.00000000E+000 +1.23000000E+130 -3.93800000E+001 +5.47000000E+004 /
!PLOG /                           +3.16000000E+000 +8.50000000E+171 -4.35300000E+001 +1.91900000E+005 /
!PLOG /                           +3.16000000E+000 +2.75000000E+034 -6.87000000E+000 +3.57000000E+004 /
!PLOG /                           +1.00000000E+001 +1.20000000E+032 -6.06000000E+000 +3.55000000E+004 /
!PLOG /                           +1.00000000E+001 +2.55000000E+175 -5.37800000E+001 +6.85000000E+004 /
!PLOG /                           +3.16000000E+001 +2.16000000E+034 -6.57000000E+000 +3.85100000E+004 /
!PLOG /                           +3.16000000E+001 +1.25000000E+185 -5.42200000E+001 +8.89900000E+004 /
!PLOG /                           +1.00000000E+002 +6.65000000E+029 -5.19000000E+000 +3.68000000E+004 /
!PLOG /                           +1.00000000E+002 +5.45000000E+002 +1.81000000E+000 +1.81000000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: AROMATIC_GROWTH_WITH_C2H2
!___________________________________________________________________________________________________________ 
C4H5-N+C2H2<=>C6H6+H                              +1.65000000E+016 -1.01000000E+000 +9.48000000E+003 !\Author: WARNING !\Ref: Senosiain JP, Miller JA. J Phys Chem A 2007;111:3740  7. !\Comment: !REF 
PLOG /                           +1.00000000E-002 +1.37000000E+016 -1.00000000E+000 +8.89600000E+003 /
PLOG /                           +2.50000000E-002 +2.94000000E+016 -1.09000000E+000 +9.25900000E+003 /
PLOG /                           +1.00000000E-001 +1.37000000E+016 -1.00000000E+000 +8.89800000E+003 /
PLOG /                           +1.00000000E+000 +1.39000000E+016 -1.00000000E+000 +8.90000000E+003 /
PLOG /                           +1.00000000E+001 +1.69000000E+016 -1.03000000E+000 +8.96700000E+003 /
PLOG /                           +1.00000000E+002 +1.65000000E+016 -1.01000000E+000 +9.48000000E+003 /
C4H5-N+C2H2<=>FULVENE+H                           +1.23000000E+020 -2.00000000E+000 +1.61520000E+004 !\Author: WARNING !\Ref: Senosiain JP, Miller JA. J Phys Chem A 2007;111:3740  7. !\Comment: !REF 
PLOG /                           +1.00000000E-002 +1.52000000E+015 -7.60000000E-001 +8.76700000E+003 /
PLOG /                           +2.50000000E-002 +1.51000000E-068 -7.60000000E-001 +8.76700000E+003 /
PLOG /                           +1.00000000E-001 +1.52000000E+015 -7.60000000E-001 +8.76900000E+003 /
PLOG /                           +1.00000000E+000 +4.62000000E+015 -8.90000000E-001 +9.14200000E+003 /
PLOG /                           +1.00000000E+001 +1.74000000E+019 -1.86000000E+000 +1.23830000E+004 /
PLOG /                           +1.00000000E+002 +1.23000000E+020 -2.00000000E+000 +1.61520000E+004 /
C4H5-N+C2H2<=>CH2CHCHCHCCH+H                      +2.97000000E+010 +1.03000000E+000 +1.94410000E+004 !\Author: WARNING !\Ref: Senosiain JP, Miller JA. J Phys Chem A 2007;111:3740  7. !\Comment: !REF 
PLOG /                           +1.00000000E-002 +1.12000000E+009 +1.39000000E+000 +1.73330000E+004 /
PLOG /                           +2.50000000E-002 +1.14000000E+009 +1.39000000E+000 +1.73410000E+004 /
PLOG /                           +1.00000000E-001 +1.46000000E+009 +1.36000000E+000 +1.74400000E+004 /
PLOG /                           +1.00000000E+000 +1.13000000E+009 +1.39000000E+000 +1.73330000E+004 /
PLOG /                           +1.00000000E+001 +5.10000000E+009 +1.21000000E+000 +1.80120000E+004 /
PLOG /                           +1.00000000E+002 +2.97000000E+010 +1.03000000E+000 +1.94410000E+004 /
CH2CHCHCHCCH+OH=>2C2H2+C2H+H2O                    +7.65000000E+005 +2.07000000E+000 +1.90553000E+003 !\Author: WARNING !\Ref: VASU ET AL. J. PHYS. CHEM. A, 2010, 114, 8312-8318 !\Comment: ANALOGY 
DUP
CH2CHCHCHCCH+OH=>2C2H2+C2H+H2O                    +1.75000000E+006 +2.04000000E+000 +4.29192000E+003 !\Author: WARNING !\Ref: VASU ET AL. J. PHYS. CHEM. A, 2010, 114, 8312-8318 !\Comment: ANALOGY 
DUP
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: AROMATIC_GROWTH
!___________________________________________________________________________________________________________ 
C4H5-I+C2H2<=>C6H6+H                              +5.37000000E+032 -5.84000000E+000 +3.50228620E+004 !\Author: WARNING !\Ref: Senosiain JP, Miller JA. J Phys Chem A 2007;111:3740  7. !\Comment: !REF 
PLOG /                           +1.00000000E-002 +1.47000000E+023 -3.28000000E+000 +2.49070450E+004 /
PLOG /                           +2.50000000E-002 +1.47000000E+023 -3.28000000E+000 +2.49070450E+004 /
PLOG /                           +1.00000000E-001 +1.47000000E+023 -3.28000000E+000 +2.49070450E+004 /
PLOG /                           +1.00000000E+000 +1.67000000E+023 -3.30000000E+000 +2.49587070E+004 /
PLOG /                           +1.00000000E+001 +8.25000000E+024 -3.76000000E+000 +2.65622160E+004 /
PLOG /                           +1.00000000E+002 +5.37000000E+032 -5.84000000E+000 +3.50228620E+004 /
C4H5-I+C2H2<=>FULVENE+H                           +5.22000000E+041 -7.94000000E+000 +3.95969360E+004 !\Author: WARNING !\Ref: Senosiain JP, Miller JA. J Phys Chem A 2007;111:3740  7. !\Comment: !REF 
PLOG /                           +1.00000000E-002 +6.50000000E+024 -3.44000000E+000 +2.03190620E+004 /
PLOG /                           +2.50000000E-002 +1.01000000E+034 -5.94000000E+000 +2.87856690E+004 /
PLOG /                           +1.00000000E-001 +6.50000000E+024 -3.44000000E+000 +2.03190620E+004 /
PLOG /                           +1.00000000E+000 +6.80000000E+024 -3.45000000E+000 +2.03369450E+004 /
PLOG /                           +1.00000000E+001 +9.70000000E+025 -3.76000000E+000 +2.13264710E+004 /
PLOG /                           +1.00000000E+002 +5.22000000E+041 -7.94000000E+000 +3.95969360E+004 /
C4H5-I+C2H2<=>C4H5-2C2H+H                         +4.70000000E+023 -2.73000000E+000 +3.61415430E+004 !\Author: WARNING !\Ref: Senosiain JP, Miller JA. J Phys Chem A 2007;111:3740  7. !\Comment: !REF 
PLOG /                           +1.00000000E-002 +5.59000000E+018 -1.43000000E+000 +3.03414900E+004 /
PLOG /                           +2.50000000E-002 +5.70000000E+018 -1.43000000E+000 +3.03514250E+004 /
PLOG /                           +1.00000000E-001 +7.29000000E+018 -1.46000000E+000 +3.04646840E+004 /
PLOG /                           +1.00000000E+000 +5.59000000E+018 -1.43000000E+000 +3.03414900E+004 /
PLOG /                           +1.00000000E+001 +5.62000000E+019 -1.69000000E+000 +3.14343400E+004 /
PLOG /                           +1.00000000E+002 +4.70000000E+023 -2.73000000E+000 +3.61415430E+004 /
C4H5-2C2H+OH=>C2H2+C4H2+H+H2O                     +7.65000000E+005 +2.07000000E+000 +1.90553000E+003 !\Author: WARNING !\Ref: VASU ET AL. J. PHYS. CHEM. A, 2010, 114, 8312-8318 !\Comment: ANALOGY 
DUP
C4H5-2C2H+OH=>C2H2+C4H2+H+H2O                     +1.75000000E+006 +2.04000000E+000 +4.29192000E+003 !\Author: WARNING !\Ref: VASU ET AL. J. PHYS. CHEM. A, 2010, 114, 8312-8318 !\Comment: ANALOGY 
DUP
C4H5-2C2H+OH=>C2H3+C4H2+H2O                       +7.65000000E+005 +2.07000000E+000 +1.90553000E+003 !\Author: WARNING !\Ref: VASU ET AL. J. PHYS. CHEM. A, 2010, 114, 8312-8318 !\Comment: ANALOGY 
DUP
C4H5-2C2H+OH=>C2H3+C4H2+H2O                       +1.75000000E+006 +2.04000000E+000 +4.29192000E+003 !\Author: WARNING !\Ref: VASU ET AL. J. PHYS. CHEM. A, 2010, 114, 8312-8318 !\Comment: ANALOGY 
DUP
!===========================================================================================================
!\ENDSUBSPECIES: C4H64,2-1OH\C2H3CHOHCH2
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: C2H3CHOCH2\C4H6O25\C4H6O23\C4H4O
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C4H6O25<=>C4H4O+H2                                +5.30000000E+012 +0.00000000E+000 +4.85000000E+004 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C2H3CHOCH2<=>C4H6O23                              +2.00000000E+014 +0.00000000E+000 +5.06000000E+004 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H6O23<=>SC3H5CHO                                +1.95000000E+013 +0.00000000E+000 +4.94000000E+004 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
!DONG 211226!C4H6O23<=>CYC3H5CHO                                +1.95000000E+013 +0.00000000E+000 +4.94000000E+004 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
!DONG 211226!CYC3H5CHO<=>CC3H6+CO                               4.6000E+13	0.24	6.5658E+04  !RMG
!DONG 211226!
!DONG 211226!C4H6O23<=>C2H4+CH2CO                              +5.75000000E+015 +0.00000000E+000 +6.93000000E+004 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
!DONG 211226!C4H6O23<=>C2H2+C2H4O1-2                           +1.00000000E+016 +0.00000000E+000 +7.58000000E+004 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H4O<=>CO+C3H4-P                                 +1.78000000E+015 +0.00000000E+000 +7.75000000E+004 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H4O<=>C2H2+CH2CO                                +5.01000000E+014 +0.00000000E+000 +7.75000000E+004 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
!DONG 211116!C2H3CHOCH2+H=>C2H3+CH2CO+H2                       +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 211116!C2H3CHOCH2+O=>C2H3+CH2CO+OH                       +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 211116!C2H3CHOCH2+OH=>C2H3+CH2CO+H2O                     +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 211116!C2H3CHOCH2+HO2=>C2H3+CH2CO+H2O2                   +1.00000000E+013 +0.00000000E+000 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 211116!C2H3CHOCH2+CH3=>C2H3+CH2CO+CH4                    +2.00000000E+011 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 211116!C2H3CHOCH2+CH3O2=>C2H3+CH2CO+CH3O2H               +1.00000000E+013 +0.00000000E+000 +1.90000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 


C2H3CHOCH2+H=>C2H3COCH2+H2                       +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H3CHOCH2+O=>C2H3COCH2+OH                       +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H3CHOCH2+OH=>C2H3COCH2+H2O                     +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H3CHOCH2+HO2=>C2H3COCH2+H2O2                   +1.00000000E+013 +0.00000000E+000 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 211219!C2H3CHOCH2+HO2=>C2H3COCH2+H2O2                   +1.00000000E+014 +0.00000000E+000 +1.50000000E+004 !A*10, \Author: WARNING !\Ref: WARNING !\Comment: WARNING 

C2H3CHOCH2+CH3=>C2H3COCH2+CH4                    +2.00000000E+011 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H3CHOCH2+CH3O2=>C2H3COCH2+CH3O2H               +1.00000000E+013 +0.00000000E+000 +1.90000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!DONG 211116 TEST!C2H3COCH2<=>C2H3+CH2CO                            +8.52000000E+025 -3.61000000E+000 +2.38634000E+004  !EA-4KCAL,HPL TAKEN\AUTHOR: SD!\REF: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116 (13), PP 3325-3346 !\COMMENT:C5H9O1-3<=>C2H5CHO+C2H3
C2H3COCH2=AC3H5CO                                      8.84E+44   -9.263   38107 !<K.P. SOMERS, ESTIMATED THE SAME AS H45DE2O3J = H35DE2O1J (SIRJEAN&FOURNET SEE MECHANISM)

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C4H6O25+H<=>CH2CHCHCHO+H2                         +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H6O25+O<=>CH2CHCHCHO+OH                         +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H6O25+OH<=>CH2CHCHCHO+H2O                       +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H6O25+HO2<=>CH2CHCHCHO+H2O2                     +1.00000000E+013 +0.00000000E+000 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H6O25+CH3<=>CH2CHCHCHO+CH4                      +2.00000000E+011 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H6O25+CH3O2<=>CH2CHCHCHO+CH3O2H                 +1.00000000E+013 +0.00000000E+000 +1.90000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: C2H3CHOCH2\C4H6O25\C4H6O23\C4H4O
!===========================================================================================================


CPT=C5H10-1                                            2.45E+20   -0.970   92860 !WAGNON1@LLNL.GOV! SIRJEAN J.PHYS.CHEM.A 110 (2006) 12693-12704
DUP
CPT=C5H10-1                                            1.15E+20   -0.878   92230 !WAGNON1@LLNL.GOV! SIRJEAN J.PHYS.CHEM.A 110 (2006) 12693-12704
DUP

CPT=C2H4+CC3H6                                         2.14E+24   -1.542  112490 !WAGNON1@LLNL.GOV! SIRJEAN J.PHYS.CHEM.A 110 (2006) 12693-12704


!FH_ABSTRACTION_________________________________________________________________

CPT+O2=CYC5H9+HO2                                      9.00E+14    0.000   52904 !WAGNON1@LLNL.GOV! A=DEG*9E+13, E=DH298+2RT, T=1000K
CPT+H=CYC5H9+H2                                        1.76E+07    2.000    4600 !WAGNON1@LLNL.GOV! TABLE 4 CYC5*10(DEG) CARSTENSEN J.PHYS.CHEM.A 113 (2009) 367-380
CPT+O=CYC5H9+OH                                        2.89E+05    2.600    2762 !WAGNON1@LLNL.GOV! COHEN JPC REF DATA 20 (1991) 1211-1311
CPT+OH=CYC5H9+H2O                                      8.37E+07    1.779    -193 !WAGNON1@LLNL.GOV! 209-1341K FIT SIVARAMAKRISHNAN COMBUST.FLAME 156 (2009) 1126-1134
CPT+HO2=CYC5H9+H2O2                                    4.74E+02    3.370   13719 !WAGNON1@LLNL.GOV! AS A*10(FOR DEG)*1.5 SECONDARY IN TABLE 5 AGUILERA-IPARRAGUIRRE JPCA 112 (2008) 7047-7054
CPT+CH3=CYC5H9+CH4                                     4.20E+05    2.100    7574 !WAGNON1@LLNL.GOV! DEG=10 AS ALKANE SECONDARY RATE RULE, ZHANG COMBUST.FLAME 172 (2016) 116-135


CC3H5=C3H5-A                +2.19E10 1.054 21337                !
PLOG /                           +1.00000000E+000 +5.16E35 -7.784 26318 /
PLOG /                           +1.00000000E+001 +1.00E34 -6.925 26806 /

CC3H6+O2<=>CC3H5+HO2                                   5.40E+14    0.000   61104 !WAGNON1@LLNL.GOV! A=DEG*9E+13, E=DH+2RT, T=1000K DH BASED ON BDE OF 106.3KCAL/MOL
CC3H6+H<=>CC3H5+H2                                     1.15E+08    1.990   11100 !WAGNON1@LLNL.GOV! TABLE 4 CYC3*6(DEG) CARSTENSEN J.PHYS.CHEM.A 113 (2009) 367-380
CC3H6+O<=>CC3H5+OH                                     8.62E+07    1.858    5804 !WAGNON1@LLNL.GOV! ESTIMATE
CC3H6+OH<=>CC3H5+H2O                                   4.02E+06    2.110    1893 !WAGNON1@LLNL.GOV! ESTIMATE
CC3H6+HO2<=>CC3H5+H2O2                                 4.08E+01    3.590   19724 !WAGNON1@LLNL.GOV! ESTIMATE
CC3H6+CH3<=>CC3H5+CH4                                  5.24E+00    3.494    9814 !WAGNON1@LLNL.GOV! ESTIMATE

!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C4H61-3
!----------------------------------------------------------------------------------------------------------------------------------


!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C4H612
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C4H612=C4H61-3                                       +1.86000000E+072 -1.69100000E+001 +1.02000000E+005 !\Author: KUKKADAPU1@LLNL.GOV, LOCKHART J.PHYS.CHEM.A 20(2017) 3827-3850 ! !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +3.95000000E-002 +3.24000000E+078 -1.89000000E+001 +1.03000000E+005 /
PLOG /                           +7.89000000E-002 +1.74000000E+077 -1.84600000E+001 +1.04000000E+005 /
PLOG /                           +1.58000000E-001 +7.08000000E+074 -1.77100000E+001 +1.03000000E+005 /
PLOG /                           +3.16000000E-001 +1.86000000E+072 -1.69100000E+001 +1.02000000E+005 /

!C4H612=C4H61-3                                       +0.93000000E+072 -1.69100000E+001 +1.02000000E+005 !\  A*0.5 Author: KUKKADAPU1@LLNL.GOV, LOCKHART J.PHYS.CHEM.A 20(2017) 3827-3850 ! !\Ref: WARNING !\Comment: WARNING 
!PLOG /                           +3.95000000E-002 +1.62000000E+078 -1.89000000E+001 +1.03000000E+005 /
!PLOG /                           +7.89000000E-002 +0.87000000E+077 -1.84600000E+001 +1.04000000E+005 /
!PLOG /                           +1.58000000E-001 +3.54000000E+074 -1.77100000E+001 +1.03000000E+005 /
!PLOG /                           +3.16000000E-001 +0.93000000E+072 -1.69100000E+001 +1.02000000E+005 /


C4H612=C4H5-2+H 7.94328E+64	-14.94	109600 !AUTHOR: HL LOCKHART2017 
PLOG /	0.039473684	1.77828E+64	-14.96	108000 /
PLOG /	0.078947368	1.94984E+64	-14.87	108500 /
PLOG /	0.157894737	7.94328E+64	-14.94	109600 /
PLOG /	0.315789474	6.76083E+65	-15.09	111000 /
C4H612=C4H5-I+H 6.45654E+67	-15.63	120500 !AUTHOR: HL LOCKHART2017 
PLOG /	0.039473684	1.54882E+69	-16.28	117900 /
PLOG /	0.078947368	5.7544E+68	-16.02	119300 /
PLOG /	0.157894737	6.45654E+67	-15.63	120500 /
PLOG /	0.315789474	1.99526E+66	-15.09	121300 /
C4H612=C4H5-3+H 3.89045E+70	-16.75	113400 !AUTHOR: HL LOCKHART2017 
PLOG /	0.039473684	1.25893E+67	-16.04	109600 /
PLOG /	0.078947368	6.45654E+68	-16.38	111400 /
PLOG /	0.157894737	3.89045E+70	-16.75	113400 /
PLOG /	0.315789474	1.20226E+72	-17.03	115400 /
C4H612=>C4H4+H+H     2.81838E+63	-14.48	108800 !AUTHOR: HL LOCKHART2017 
PLOG /	0.039473684	2.63027E+64	-14.94	108700 /
PLOG /	0.078947368	6.0256E+63	-14.66	108600 /
PLOG /	0.157894737	2.81838E+63	-14.48	108800 /
PLOG /	0.315789474	4.16869E+63	-14.43	109400 /


!C4H612<=>CH3+C3H3 8.91251E+95	-23.13	125200  !AUTHOR: HL LOCKHART2017 
!PLOG /	0.039473684	3.4674E+127	-32.04	151300 /
!PLOG /	0.078947368	3.6308E+148	-37.72	170400 /
!PLOG /	0.157894737	1.3804E+156	-39.63	180200 /
!PLOG /	0.315789474	8.91251E+95	-23.13	125200 /
!PLOG /	0.039473684	5.01187E+74	-17.49	106300 / 
!PLOG /	0.078947368	2.13796E+75	-17.56	107700 /
!PLOG /	0.157894737	4.0738E+75	-17.53	108900 /
!PLOG /	0.315789474	3.0903E+75	-17.39	110000 /




!C4H612<=>CH3+C3H3 4.456255E+95	-23.13	126700  !AUTHOR: HL LOCKHART2017 A*0.5 EA+1.5KCAL
!PLOG /	0.039473684	1.7337E+127	-32.04	152800 /
!PLOG /	0.078947368	1.8154E+148	-37.72	171900 /
!PLOG /	0.157894737	0.6902E+156	-39.63	181700 /
!PLOG /	0.315789474	4.456255E+95	-23.13	126700 /




!C4H612=C3H3+CH3                                   4.62E+43       -8.00    95030.0 !HUANG 2017
!  PLOG/1.000E-02    4.17E+64      -15.04    99080.0/     ! fit btw. 800 and 2300 K with MAE of 2.6%, 5.5%
!  PLOG/1.000E-01    3.02E+64      -14.72    100500.0/    ! fit btw. 800 and 2300 K with MAE of 2.3%, 5.2%
!  PLOG/1.000E+00    3.03E+64      -14.40    103400.0/    ! fit btw. 800 and 2300 K with MAE of 4.3%, 10.0%
!  PLOG/1.000E+01    1.85E+57      -12.06    101700.0/    ! fit btw. 800 and 2300 K with MAE of 8.0%, 15.7%
!  PLOG/1.000E+02    4.62E+43       -8.00    95030.0/     ! fit btw. 800 and 2300 K with MAE of 9.4%, 19.0%

!C3H3+CH3=C4H612                   2.1973E+13	0	-185.7845    !Pham et al. Chemical Physics Letters 762 (2021) 138126, HPL
!PLOG/ 0.0657894737 4.864E44 -10.40  3023.4815 /
!PLOG/ 0.1    4.856E+044    -10.352     3526.9 /
!PLOG/ 1.0    4.827E+044    -10.090     6295.5 /
!PLOG/ 10     4.793E+044     -9.828     9064.1 /
!PLOG/ 30     4.774E+044     -9.703    10385.0 /
!PLOG/ 100     4.7595E44     -9.566   11832.63 /


C3H3+CH3=C4H612                                   +6.52000000E+021 -2.53000000E+000 +3.62000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +3.94700000E-002 +4.68000000E+049 -1.13300000E+001 +1.28900000E+004 /
PLOG /                           +7.89500000E-002 +8.04000000E+047 -1.07300000E+001 +1.25300000E+004 /
PLOG /                           +1.57900000E-001 +6.96000000E+045 -1.00400000E+001 +1.20200000E+004 /
PLOG /                           +3.15800000E-001 +3.34000000E+043 -9.29000000E+000 +1.13600000E+004 /
PLOG /                           +1.00000000E+000 +1.79000000E+039 -7.93000000E+000 +1.00200000E+004 /
PLOG /                           +3.16200000E+000 +4.88000000E+034 -6.49000000E+000 +8.45800000E+003 /
PLOG /                           +1.00000000E+001 +1.22000000E+030 -5.07000000E+000 +6.79100000E+003 /
PLOG /                           +3.16200000E+001 +5.16000000E+025 -3.72000000E+000 +5.13900000E+003 /
PLOG /                           +1.00000000E+002 +6.52000000E+021 -2.53000000E+000 +3.62000000E+003 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C4H612+H<=>C4H5-I+H2                              +1.70000000E+005 +2.50000000E+000 +2.49000000E+003 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H612+CH3<=>C4H5-I+CH4                           +7.00000000E+013 +0.00000000E+000 +1.85000000E+004 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H612+O<=>C4H5-I+OH                              +1.80000000E+011 +7.00000000E-001 +5.88000000E+003 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H612+OH<=>C4H5-I+H2O                            +3.10000000E+006 +2.00000000E+000 -2.98000000E+002 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 

C4H612+H<=>C4H5-3+H2                                +3.31250000E+003 +3.09500000E+000 +5.52200000E+003 !\Author: HL, ANALOGY WITH C3H4-A+H<=>C3H3+H2 A/2, SP !\Ref: MILLER ET AL., J. PHYS. CHEM. A, VOL. 112, NO. 39, 2008 !\Comment: WARNING 
C4H612+CH3<=>C4H5-3+CH4                           +2.20000000E+001 +3.24000000E+000 +7.76100000E+003 !\Author: HL, ANALOGY WITH C3H4-A+CH3<=>C3H3+CH4 A/2, !\Ref: WARNING !\Comment: WARNING 
C4H612+OH<=>C4H5-3+H2O                            +2.52500000E+005 +2.36000000E+000 +2.87900000E+003 !\Author: HL, ANALOGY WITH C3H4-A+OH<=>C3H3+H2O A/2, !\Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
DUP
C4H612+OH<=>C4H5-3+H2O                            +2.97500000E+004 +2.50000000E+000 +6.61100000E+002 !\Author: HL, ANALOGY WITH C3H4-A+OH<=>C3H3+H2O A/2, !\Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
DUP


!C4H612+H<=>C4H5-I+H2                                 6.97E+02           3.24E+00         3.33E+03!\Author:HL, ANALOGY WITH C3H6+H<=>C3H5-A+H2, JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT
!C4H612+H<=>C4H5-2+H2                                 2.323E+02           3.24E+00         1.83E+03!\Author:HL, A/3 ea-1.5kcal; ANALOGY WITH C3H6+H<=>C3H5-A+H2, JP !\Ref: !\Comment: H_ADDITION_APPROX_VARIATIONAL_EFFECT

C4H612+H<=>C4H5-2+H2                              +0.56670000E+005 +2.50000000E+000 +1.00000000E+003 !\Author: HL, ANALOGY WITH C4H612+H<=>C4H5-I+H2, A/3, EA-1.5, \Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H612+CH3<=>C4H5-2+CH4                           +2.33330000E+013 +0.00000000E+000 +1.70000000E+004 !\Author: C4H612+CH3<=>C4H5-I+CH4, A/3, EA-1.5 WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H612+O<=>C4H5-2+OH                              +0.60000000E+011 +7.00000000E-001 +4.38000000E+003 !\Author: HL, ANALOGY WITH C4H612+O<=>C4H5-I+OH, A/3, EA-1.5KCAL !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H612+OH<=>C4H5-2+H2O                            +1.03330000E+006 +2.00000000E+000 -4.48000000E+002 !\Author: HL, ANALOGY WITH C4H612+OH<=>C4H5-I+H2O, A/3, EA-1.5KCAL, WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 


!____________________________________________________________________________________________________________
!\REACTION CLASS: H ADDITION
!___________________________________________________________________________________________________________

C4H612+H=C4H71-1                                   6.31E+06        1.24    12340.0
  PLOG/1.000E-02    1.51E+61      -17.05    22230.0/
  PLOG/1.000E-02    1.08E+42      -11.46    12800.0/                            ! fit btw. 298 and 1100 K with MAE of 0.2%, 0.6%
  PLOG/1.000E-01    4.74E+60      -16.27    25030.0/
  PLOG/1.000E-01    1.80E+40      -10.46    14460.0/                            ! fit btw. 298 and 1200 K with MAE of 0.5%, 0.9%
  PLOG/1.000E+00    6.76E+57      -14.79    27890.0/
  PLOG/1.000E+00    7.10E+34       -8.46    14950.0/                            ! fit btw. 298 and 1300 K with MAE of 0.9%, 2.5%
  PLOG/1.000E+01    2.09E+52      -12.58    30410.0/
  PLOG/1.000E+01    2.50E+21       -4.01    12970.0/                            ! fit btw. 298 and 1400 K with MAE of 2.8%, 6.3%
  PLOG/1.000E+02    6.65E+43       -9.57    32060.0/
  PLOG/1.000E+02    1.37E+06        0.92    10160.0/                            ! fit btw. 298 and 1600 K with MAE of 5.9%, 13.3%

C4H612+H=C4H71-3                                   5.10E+27       -4.22    8718.0
  PLOG/1.000E-02    1.51E+68      -17.67    21480.0/
  PLOG/1.000E-02    7.28E+53      -13.90    11820.0/                            ! fit btw. 298 and 1500 K with MAE of 1.1%, 2.7%
  PLOG/1.000E-01    1.38E+69      -17.38    24290.0/
  PLOG/1.000E-01    8.15E+49      -12.23    11800.0/                            ! fit btw. 298 and 1600 K with MAE of 2.3%, 5.4%
  PLOG/1.000E+00    5.59E+67      -16.44    26900.0/
  PLOG/1.000E+00    5.08E+42       -9.65    10620.0/                            ! fit btw. 298 and 1800 K with MAE of 4.0%, 11.8%
  PLOG/1.000E+01    1.26E+65      -15.20    29670.0/
  PLOG/1.000E+01    1.10E+35       -6.99    9154.0/                             ! fit btw. 298 and 2000 K with MAE of 6.3%, 18.9%
  PLOG/1.000E+02    4.49E+61      -13.77    32660.0/
  PLOG/1.000E+02    9.37E+27       -4.59    7627.0/                             ! fit btw. 298 and 2200 K with MAE of 6.9%, 22.3%

C4H612+H=C4H71-4                                   4.64E+10        0.80    9095.0
  PLOG/1.000E-02    3.89E+62      -16.32    19350.0/
  PLOG/1.000E-02    9.07E+47      -12.27    11040.0/                            ! fit btw. 298 and 1200 K with MAE of 0.3%, 0.7%
  PLOG/1.000E-01    6.77E+63      -16.05    23190.0/
  PLOG/1.000E-01    8.53E+45      -11.19    12530.0/                            ! fit btw. 298 and 1300 K with MAE of 0.7%, 1.9%
  PLOG/1.000E+00    2.52E+62      -15.05    27110.0/
  PLOG/1.000E+00    6.90E+36       -8.07    11860.0/                            ! fit btw. 298 and 1500 K with MAE of 2.6%, 5.8%
  PLOG/1.000E+01    2.64E+58      -13.37    30850.0/
  PLOG/1.000E+01    9.49E+22       -3.57    9503.0/                             ! fit btw. 298 and 1700 K with MAE of 5.6%, 15.4%
  PLOG/1.000E+02    1.20E+53      -11.36    35020.0/
  PLOG/1.000E+02    5.74E+09        0.64    7066.0/                             ! fit btw. 298 and 1900 K with MAE of 9.4%, 27.0%

C4H612+H=C4H72-2                                   5.80E+26       -4.23    7384.0
  PLOG/1.000E-02    4.60E+68      -18.47    19360.0/
  PLOG/1.000E-02    1.04E+48      -12.38    9266.0/                             ! fit btw. 298 and 1200 K with MAE of 0.3%, 0.7%
  PLOG/1.000E-01    8.02E+65      -17.07    19810.0/
  PLOG/1.000E-01    2.43E+49      -12.48    10380.0/                            ! fit btw. 298 and 1200 K with MAE of 0.4%, 1.1%
  PLOG/1.000E+00    3.34E+64      -16.15    21580.0/
  PLOG/1.000E+00    3.67E+45      -10.97    10170.0/                            ! fit btw. 298 and 1300 K with MAE of 0.8%, 2.3%
  PLOG/1.000E+01    6.02E+60      -14.56    22840.0/
  PLOG/1.000E+01    3.57E+37       -8.17    8699.0/                             ! fit btw. 298 and 1400 K with MAE of 2.2%, 4.8%
  PLOG/1.000E+02    2.52E+55      -12.55    23640.0/
  PLOG/1.000E+02    4.52E+29       -5.44    7114.0/                             ! fit btw. 298 and 1600 K with MAE of 3.6%, 9.3%

C4H612+H=C4H71-2                                   1.30E+22       -2.77    6863.0
  PLOG/1.000E-02    1.01E+67      -17.67    20320.0/
  PLOG/1.000E-02    8.18E+46      -11.82    10230.0/                            ! fit btw. 298 and 1200 K with MAE of 0.3%, 0.7%
  PLOG/1.000E-01    2.18E+64      -16.32    21340.0/
  PLOG/1.000E-01    1.31E+46      -11.31    10730.0/                            ! fit btw. 298 and 1200 K with MAE of 0.6%, 1.5%
  PLOG/1.000E+00    7.76E+61      -15.11    22990.0/
  PLOG/1.000E+00    2.41E+40       -9.23    9874.0/                             ! fit btw. 298 and 1400 K with MAE of 1.6%, 3.7%
  PLOG/1.000E+01    8.65E+56      -13.22    23800.0/
  PLOG/1.000E+01    6.46E+31       -6.28    8159.0/                             ! fit btw. 298 and 1500 K with MAE of 3.0%, 6.9%
  PLOG/1.000E+02    3.08E+51      -11.25    24590.0/
  PLOG/1.000E+02    5.24E+24       -3.85    6698.0/                             ! fit btw. 298 and 1700 K with MAE of 4.3%, 10.5%


C4H612+H=C2H4+C2H3                                   2.56E+03        3.35    14180.0
  PLOG/1.000E-02    8.18E+31       -6.16    13080.0/
  PLOG/1.000E-02    8.64E+11        0.44    6081.0/                             ! fit btw. 298 and 2200 K with MAE of 0.1%, 0.1%
  PLOG/1.000E-01    9.10E+73      -15.93    86300.0/
  PLOG/1.000E-01    1.59E+18       -1.34    10300.0/                            ! fit btw. 298 and 2200 K with MAE of 1.9%, 11.6%
  PLOG/1.000E+00    5.74E+23       -2.81    16160.0/
  PLOG/1.000E+00    3.48E+124      -38.53    32370.0/                           ! fit btw. 298 and 2200 K with MAE of 4.5%, 10.8%
  PLOG/1.000E+01    1.37E+36       -6.21    27770.0/
  PLOG/1.000E+01    3.74E+03        2.92    9781.0/                             ! fit btw. 298 and 2200 K with MAE of 2.1%, 7.0%
!  PLOG/1.000E+02    -6.69E+07        1.62    12790.0/
!  PLOG/1.000E+02    2.63E-03        5.08    10190.0/                            ! fit btw. 298 and 2200 K with MAE of 64.0%, 271.8%
  PLOG/1.000E+02    2.56E+03        3.35    14180.0/                            ! fit btw. 298 and 2200 K with MAE of 78.9%, 297.6%
  
C4H612+H=C4H6-2+H                                   2.49E+10        1.13    9565.0
  PLOG/1.000E-02    2.35E+11        0.51    4140.0/
  PLOG/1.000E-02    2.10E+10        1.00    7926.0/                             ! fit btw. 298 and 2200 K with MAE of 0.0%, 0.1%
  PLOG/1.000E-01    1.29E+16       -0.52    16150.0/
  PLOG/1.000E-01    7.38E+13       -0.15    6004.0/                             ! fit btw. 298 and 2200 K with MAE of 0.3%, 1.3%
  PLOG/1.000E+00    1.03E+38       -7.56    17580.0/
  PLOG/1.000E+00    6.45E+10        0.87    6384.0/                             ! fit btw. 298 and 2200 K with MAE of 0.3%, 1.3%
  PLOG/1.000E+01    5.79E+27       -4.08    16380.0/
  PLOG/1.000E+01    4.04E+05        2.37    5665.0/                             ! fit btw. 298 and 2200 K with MAE of 0.8%, 1.9%
  PLOG/1.000E+02    9.58E+28       -4.22    20770.0/
  PLOG/1.000E+02    6.13E+02        3.15    5812.0/                             ! fit btw. 298 and 2200 K with MAE of 1.3%, 4.4%

C4H612+H=C3H4-P+CH3                                   1.57E+12        0.72    9268.0
  PLOG/1.000E-02    5.90E+11        0.69    6026.0/
  PLOG/1.000E-02    2.14E+16       -0.93    4571.0/                             ! fit btw. 298 and 2200 K with MAE of 0.0%, 0.2%
  PLOG/1.000E-01    7.34E+30       -5.49    10890.0/
  PLOG/1.000E-01    3.26E+11        0.74    4444.0/                             ! fit btw. 298 and 2200 K with MAE of 0.1%, 0.2%
  PLOG/1.000E+00    4.79E+37       -7.25    16530.0/
  PLOG/1.000E+00    4.08E+12        0.46    6059.0/                             ! fit btw. 298 and 2200 K with MAE of 0.4%, 1.3%
  PLOG/1.000E+01    1.19E+31       -4.92    16910.0/
  PLOG/1.000E+01    7.67E+07        1.82    5537.0/                             ! fit btw. 298 and 2200 K with MAE of 0.8%, 1.7%
  PLOG/1.000E+02    1.70E+31       -4.75    20830.0/
  PLOG/1.000E+02    5.95E+04        2.68    5547.0/                             ! fit btw. 298 and 2200 K with MAE of 1.5%, 4.9%


C4H612+H=C3H4-A+CH3                                   4.54E+08        1.69    9566.0
  PLOG/1.000E-02    8.43E+24       -3.73    9052.0/
  PLOG/1.000E-02    9.69E+11        0.48    4859.0/                             ! fit btw. 298 and 2200 K with MAE of 0.2%, 0.4%
  PLOG/1.000E-01    8.05E+35       -6.87    15450.0/
  PLOG/1.000E-01    2.63E+13        0.10    6448.0/                             ! fit btw. 298 and 2200 K with MAE of 0.2%, 0.5%
  PLOG/1.000E+00    1.41E+32       -5.41    16810.0/
  PLOG/1.000E+00    5.66E+09        1.17    6341.0/                             ! fit btw. 298 and 2200 K with MAE of 0.7%, 1.7%
  PLOG/1.000E+01    4.72E+33       -5.64    21100.0/
  PLOG/1.000E+01    4.10E+06        2.07    6428.0/                             ! fit btw. 298 and 2200 K with MAE of 1.1%, 3.1%
  PLOG/1.000E+02    5.53E+30       -4.59    23720.0/
  PLOG/1.000E+02    6.27E+04        2.44    6599.0/                             ! fit btw. 298 and 2200 K with MAE of 3.2%, 11.4%

C4H612+H=C2H5+C2H2                                   7.97E+05        2.20    19000.0
  PLOG/1.000E-02    7.04E+09        0.76    14770.0/
  PLOG/1.000E-02    1.83E+06        1.54    8085.0/                             ! fit btw. 298 and 2200 K with MAE of 0.1%, 0.1%
  PLOG/1.000E-01    2.28E+10        0.48    11500.0/
  PLOG/1.000E-01    1.00E+17       -1.12    24970.0/                            ! fit btw. 298 and 2200 K with MAE of 0.4%, 1.9%
  PLOG/1.000E+00    3.06E+28       -4.89    22270.0/
  PLOG/1.000E+00    3.87E+07        1.43    13100.0/                            ! fit btw. 298 and 2200 K with MAE of 1.2%, 3.4%
!  PLOG/1.000E+01    -2.63E+18       -4.71    5249.0/
!  PLOG/1.000E+01    1.53E+07        1.58    13820.0/                            ! fit btw. 298 and 2200 K with MAE of 17688.2%, 177761.1%
!  PLOG/1.000E+02    -5.14E+11       -4.03    -1921.0/
!  PLOG/1.000E+02    5.93E+00        3.59    14340.0/                            ! fit btw. 298 and 2200 K with MAE of 2836023.8%, 29569960.6%
  PLOG/1.000E+01    6.64E+12        0.05    18310.0/                            ! fit btw. 298 and 2200 K with MAE of 22.1%, 93.1%
  PLOG/1.000E+02    7.97E+05        2.20    19000.0/                            ! fit btw. 298 and 2200 K with MAE of 56.5%, 198.4%

C2H4+C2H3=C3H4-P+CH3                                   8.55E-01        3.63    27140.0 !HL NEEDS \RefIT
  PLOG/1.000E-02    1.82E+04        1.71    13210.0/
  PLOG/1.000E-02    2.16E+10        0.10    24250.0/                            ! fit btw. 298 and 2000 K with MAE of 0.2%, 0.5%
  PLOG/1.000E-01    1.86E+27       -5.32    24440.0/
  PLOG/1.000E-01    5.28E+05        1.41    16330.0/                            ! fit btw. 298 and 2000 K with MAE of 0.2%, 0.3%
  PLOG/1.000E+00    7.17E+29       -5.64    30490.0/
  PLOG/1.000E+00    6.00E+05        1.48    19690.0/                            ! fit btw. 298 and 2000 K with MAE of 0.4%, 0.9%
  PLOG/1.000E+01    2.94E+31       -5.75    37610.0/
  PLOG/1.000E+01    2.09E+01        2.79    21780.0/                            ! fit btw. 298 and 2000 K with MAE of 1.6%, 4.4%
!  PLOG/1.000E+02    -2.58E+05        1.54    26040.0/
!  PLOG/1.000E+02    1.16E-06        5.32    23240.0/                            ! fit btw. 298 and 2000 K with MAE of 55.3%, 228.5%

C2H4+C2H3=C2H5+C2H2                                   2.99E+00        3.44    28760.0
  PLOG/1.000E-02    9.96E+12       -1.10    16600.0/
  PLOG/1.000E-02    4.50E+07        0.85    20100.0/                            ! fit btw. 298 and 2000 K with MAE of 0.3%, 0.7%
  PLOG/1.000E-01    1.55E+16       -1.80    20890.0/
  PLOG/1.000E-01    5.52E+28       -4.75    45400.0/                            ! fit btw. 298 and 2000 K with MAE of 1.2%, 6.2%
  PLOG/1.000E+00    1.94E+34       -7.03    33130.0/
  PLOG/1.000E+00    1.26E+08        0.78    21820.0/                            ! fit btw. 298 and 2000 K with MAE of 0.3%, 0.7%
  PLOG/1.000E+01    9.39E+33       -6.52    39810.0/
  PLOG/1.000E+01    1.80E+01        2.80    23160.0/                            ! fit btw. 298 and 2000 K with MAE of 1.3%, 3.9%
  PLOG/1.000E+02    7.56E+03        2.51    31520.0/
  PLOG/1.000E+02    3.38E-03        0.44    14180.0/                            ! fit btw. 298 and 2000 K with MAE of 47.2%, 160.5%

C3H4-P+CH3=C3H4-A+CH3                                   2.06E+02        2.52    35040.0 !HL NEEDS \RefIT
  PLOG/1.000E-02    1.63E+04        1.07    20050.0/
  PLOG/1.000E-02    7.45E+01        2.19    23960.0/                            ! fit btw. 298 and 2000 K with MAE of 0.1%, 0.4%
  PLOG/1.000E-01    8.52E+25       -5.61    30070.0/
  PLOG/1.000E-01    7.25E+00        2.45    22170.0/                            ! fit btw. 298 and 2000 K with MAE of 0.1%, 0.3%
  PLOG/1.000E+00    2.56E+31       -6.74    37630.0/
  PLOG/1.000E+00    5.25E+04        1.43    26750.0/                            ! fit btw. 298 and 2000 K with MAE of 0.2%, 0.7%
  PLOG/1.000E+01    4.53E+27       -5.12    42250.0/
  PLOG/1.000E+01    9.72E-01        2.87    28710.0/                            ! fit btw. 298 and 2000 K with MAE of 0.6%, 1.7%
!  PLOG/1.000E+02    -8.78E+06        0.69    33420.0/
!  PLOG/1.000E+02    2.87E-04        4.20    30900.0/                            ! fit btw. 298 and 2000 K with MAE of 44.3%, 156.7%

C3H4-P+CH3=C2H5+C2H2                                   6.99E+03        2.04    35420.0
  PLOG/1.000E-02    1.46E+03        1.37    20370.0/
  PLOG/1.000E-02    6.59E+00        2.52    24460.0/                            ! fit btw. 298 and 2000 K with MAE of 0.1%, 0.3%
  PLOG/1.000E-01    2.06E+07        0.37    24220.0/
  PLOG/1.000E-01    4.97E+06        0.96    31800.0/                            ! fit btw. 298 and 2000 K with MAE of 0.4%, 1.2%
  PLOG/1.000E+00    2.37E+26       -5.32    35130.0/  
  PLOG/1.000E+00    2.64E+02        2.09    25980.0/                            ! fit btw. 298 and 2000 K with MAE of 0.2%, 0.4%
  PLOG/1.000E+01    1.57E+15       -1.46    35730.0/
  PLOG/1.000E+01    6.29E+96      -30.60    47920.0/                            ! fit btw. 298 and 2000 K with MAE of 3.5%, 8.3%
  PLOG/1.000E+02    3.04E+24       -3.89    47300.0/
  PLOG/1.000E+02    1.89E-05        4.05    30190.0/                            ! fit btw. 298 and 2000 K with MAE of 2.5%, 7.1%

C3H4-A+CH3=C2H5+C2H2                                   1.15E+03        2.24    35740.0
  PLOG/1.000E-02    3.80E+12       -1.76    21860.0/
  PLOG/1.000E-02    1.26E+00        2.57    21250.0/                            ! fit btw. 298 and 2000 K with MAE of 0.1%, 0.2%
  PLOG/1.000E-01    1.42E+14       -1.79    25990.0/
  PLOG/1.000E-01    1.55E+08        0.42    30950.0/                            ! fit btw. 298 and 2000 K with MAE of 0.5%, 1.6%
  PLOG/1.000E+00    1.86E+31       -6.77    37110.0/
  PLOG/1.000E+00    1.33E+05        1.24    27040.0/                            ! fit btw. 298 and 2000 K with MAE of 0.1%, 0.5%
  PLOG/1.000E+01    1.08E+30       -5.90    43300.0/
  PLOG/1.000E+01    2.78E+00        2.67    29240.0/                            ! fit btw. 298 and 2000 K with MAE of 0.7%, 1.5%
  PLOG/1.000E+02    2.66E+06        1.31    38320.0/
  PLOG/1.000E+02    1.02E+00       -0.66    21440.0/                            ! fit btw. 298 and 2000 K with MAE of 36.0%, 105.5%

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONH
!___________________________________________________________________________________________________________ 



!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONO
!___________________________________________________________________________________________________________ 
C4H612+O<=>CH2CO+C2H4                             +1.20000000E+008 +1.65000000E+000 +3.27000000E+002 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C4H612
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C4H6-2
!\MECHCOMMENTS: 2-BUTYNE SUBMECHANISM HAS LITTLE TO NO CHEMISTRY. 1-BUTYNE IS COMPLETELY ABSENT. KPS UPDATED MANY REACTIONS IN C4 MECHANISM AS PART OF FURANS WORK. THIS SHOULD BE INCORPORATED INTO MECHANISM WITH CWZ /YL WORK
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 

C4H612<=>C4H6-2     3.0128E+74	-17.83	100900 !author:SN LOCKHART2017 A*0.5
PLOG /	0.039473684	0.829795E+76	-18.54	97800  /
PLOG /	0.078947368	0.56101E+76	-18.39	99000  /
PLOG /	0.157894737	3.79289E+75	-18.24	100300 /
PLOG /	0.315789474	3.0128E+74	-17.83	100900 /

C4H6-1<=>C4H6-2     1.54882E+85	-21.25	118500 !author:SN LOCKHART2017 A*2
PLOG /	0.039473684	15.17156E+84	-21.4	112700 /
PLOG /	0.078947368	3.89968E+85	-21.41	114700 /
PLOG /	0.157894737	8.1476E+85	-21.38	116800 /
PLOG /	0.315789474	3.09764E+85	-21.25	118500 /

!!!!huang 2017
C4H6-2=H2CC+C2H4    9.57E+43       -8.37    116300.0     !Huang C, Yang B, Zhang F., Combustion and Flame 2017;184:167-75.
  PLOG/1.000E-02    1.24E+70      -16.90    109100.0/    ! fit btw. 800 and 2300 K with MAE of 3.6%, 8.5%
  PLOG/1.000E-01    6.09E+68      -16.20    112900.0/    ! fit btw. 800 and 2300 K with MAE of 5.0%, 11.1%
  PLOG/1.000E+00    3.75E+64      -14.69    115900.0/    ! fit btw. 800 and 2300 K with MAE of 7.2%, 14.7%
  PLOG/1.000E+01    7.57E+55      -11.96    116600.0/    ! fit btw. 800 and 2300 K with MAE of 9.5%, 17.9%
  PLOG/1.000E+02    9.57E+43       -8.37    116300.0/    ! fit btw. 800 and 2300 K with MAE of 11.3%, 24.1%

C4H6-2=C2H2+C2H4    6.13E+29       -4.47    113100.0     !Huang C, Yang B, Zhang F., Combustion and Flame 2017;184:167-75.
  PLOG/1.000E-02    7.29E+70      -17.33    114100.0/    ! fit btw. 800 and 2300 K with MAE of 3.1%, 7.4%
  PLOG/1.000E-01    1.24E+69      -16.40    118800.0/    ! fit btw. 800 and 2300 K with MAE of 5.3%, 11.7%
  PLOG/1.000E+00    1.39E+62      -14.04    121100.0/    ! fit btw. 800 and 2300 K with MAE of 8.7%, 17.8%
  PLOG/1.000E+01    2.15E+47       -9.57    118100.0/    ! fit btw. 800 and 2300 K with MAE of 12.9%, 23.3%
  PLOG/1.000E+02    6.13E+29       -4.47    113100.0/    ! fit btw. 800 and 2300 K with MAE of 13.5%, 32.2%

C4H6-2=C4H5-I + H   1.32E+36       -5.84    120500.0     !Huang C, Yang B, Zhang F., Combustion and Flame 2017;184:167-75.
  PLOG/1.000E-02    4.21E+71      -17.39    118400.0/    ! fit btw. 800 and 2300 K with MAE of 2.6%, 5.7%
  PLOG/1.000E-01    3.56E+71      -16.85    123700.0/    ! fit btw. 800 and 2300 K with MAE of 4.3%, 9.7%
  PLOG/1.000E+00    1.19E+67      -15.11    127500.0/    ! fit btw. 800 and 2300 K with MAE of 7.1%, 14.8%
  PLOG/1.000E+01    2.31E+54      -11.18    126200.0/    ! fit btw. 800 and 2300 K with MAE of 11.4%, 21.1%
  PLOG/1.000E+02    1.32E+36       -5.84    120500.0/    ! fit btw. 800 and 2300 K with MAE of 13.1%, 30.6%

C4H6-2=C4H5-2 + H   8.08E+33       -5.21    101000.0     !Huang C, Yang B, Zhang F., Combustion and Flame 2017;184:167-75.
  PLOG/1.000E-02    1.27E+73      -17.47    116400.0/    ! fit btw. 800 and 2300 K with MAE of 2.9%, 6.8%
  PLOG/1.000E-01    3.19E+69      -16.06    117000.0/    ! fit btw. 800 and 2300 K with MAE of 4.6%, 10.4%
  PLOG/1.000E+00    1.47E+62      -13.63    115300.0/    ! fit btw. 800 and 2300 K with MAE of 6.5%, 13.2%
  PLOG/1.000E+01    1.10E+49       -9.64    109400.0/    ! fit btw. 800 and 2300 K with MAE of 8.1%, 15.4%
  PLOG/1.000E+02    8.08E+33       -5.21    101000.0/    ! fit btw. 800 and 2300 K with MAE of 6.1%, 15.3%

C4H6-2=C2H3 + C2H3  2.52E+43       -7.74    130100.0     !Huang C, Yang B, Zhang F., Combustion and Flame 2017;184:167-75.
  PLOG/1.000E-02    9.70E+69      -17.11    125500.0/    ! fit btw. 800 and 2300 K with MAE of 2.0%, 3.6%
  PLOG/1.000E-01    1.44E+73      -17.36    130500.0/    ! fit btw. 800 and 2300 K with MAE of 3.1%, 7.2%
  PLOG/1.000E+00    1.25E+71      -16.21    135000.0/    ! fit btw. 800 and 2300 K with MAE of 5.5%, 11.5%
  PLOG/1.000E+01    4.35E+61      -13.12    135800.0/    ! fit btw. 800 and 2300 K with MAE of 9.2%, 17.4%
  PLOG/1.000E+02    2.52E+43       -7.74    130100.0/    ! fit btw. 800 and 2300 K with MAE of 11.9%, 27.1%



!____________________________________________________________________________________________________________
!\REACTION CLASS: H ADDITION
!___________________________________________________________________________________________________________

C4H6-2+H=C4H71-3                                   5.21E+25       -3.88    18950.0
  PLOG/1.000E-02    2.43E+63      -16.86    24610.0/
  PLOG/1.000E-02    4.28E+48      -12.97    14750.0/                            ! fit btw. 298 and 1500 K with MAE of 1.3%, 3.0%
  PLOG/1.000E-01    1.11E+66      -17.00    28830.0/
  PLOG/1.000E-01    7.23E+47      -12.18    16950.0/                            ! fit btw. 298 and 1600 K with MAE of 2.2%, 5.3%
  PLOG/1.000E+00    8.03E+65      -16.37    32670.0/
  PLOG/1.000E+00    2.56E+42      -10.10    17620.0/                            ! fit btw. 298 and 1800 K with MAE of 4.1%, 11.2%
!  PLOG/1.000E+01    -1.28E+56      -13.53    25660.0/
!  PLOG/1.000E+01    1.22E+45       -9.95    22440.0/                            ! fit btw. 298 and 2000 K with MAE of 18.5%, 49.9%
  PLOG/1.000E+01    2.09E+36       -7.33    20290.0/                            ! fit btw. 298 and 2000 K with MAE of 59.1%, 171.3%
  PLOG/1.000E+02    2.19E+46       -9.74    31730.0/
  PLOG/1.000E+02    3.61E+37       -8.87    17830.0/                            ! fit btw. 298 and 2200 K with MAE of 18.4%, 58.4%

C4H6-2+H=C4H71-4                                   7.91E+14       -0.71    20880.0
  PLOG/1.000E-02    5.48E+55      -14.88    21320.0/
  PLOG/1.000E-02    6.65E+39      -10.68    12070.0/                            ! fit btw. 300 and 1200 K with MAE of 0.5%, 1.4%
  PLOG/1.000E-01    3.39E+47      -11.76    20990.0/
  PLOG/1.000E-01    3.56E+45      -12.08    17280.0/                            ! fit btw. 298 and 1300 K with MAE of 37.5%, 228.8%
  PLOG/1.000E+00    1.11E+61      -15.14    32690.0/
  PLOG/1.000E+00    1.08E+39       -9.20    19460.0/                            ! fit btw. 298 and 1500 K with MAE of 2.5%, 4.6%
  PLOG/1.000E+01    2.77E+58      -13.79    37820.0/
  PLOG/1.000E+01    2.60E+27       -5.34    19230.0/                            ! fit btw. 298 and 1700 K with MAE of 4.8%, 12.1%
!  PLOG/1.000E+02    -5.11E+20       -7.19    -1353.0/
!  PLOG/1.000E+02    7.23E+09        0.65    16140.0/                            ! fit btw. 298 and 1900 K with MAE of 6765629.2%, 59667189.9%
  PLOG/1.000E+02    7.91E+14       -0.71    20880.0/                            ! fit btw. 298 and 1900 K with MAE of 79.3%, 225.0%

C4H6-2+H=C4H72-2                                   3.72E+25       -3.55    7389.0
  PLOG/1.000E-02    2.02E+68      -17.67    20410.0/
  PLOG/1.000E-02    6.23E+49      -12.36    10740.0/                            ! fit btw. 298 and 1200 K with MAE of 0.3%, 0.7%
  PLOG/1.000E-01    2.43E+66      -16.65    21400.0/
  PLOG/1.000E-01    3.94E+47      -11.42    10810.0/                            ! fit btw. 298 and 1200 K with MAE of 0.6%, 1.6%
  PLOG/1.000E+00    1.17E+64      -15.53    22750.0/
  PLOG/1.000E+00    9.73E+42       -9.74    10170.0/                            ! fit btw. 298 and 1300 K with MAE of 1.2%, 3.0%
  PLOG/1.000E+01    3.36E+59      -13.79    23390.0/
  PLOG/1.000E+01    2.34E+35       -7.11    8666.0/                             ! fit btw. 298 and 1400 K with MAE of 2.5%, 5.2%
  PLOG/1.000E+02    1.61E+54      -11.87    23890.0/
  PLOG/1.000E+02    4.87E+28       -4.81    7308.0/                             ! fit btw. 298 and 1600 K with MAE of 3.7%, 8.9%

C4H6-2+H=C4H71-2                                   2.56E+12       -0.56    24170.0
  PLOG/1.000E-02    1.35E+59      -17.02    26610.0/
  PLOG/1.000E-02    2.61E+37      -10.56    16260.0/                            ! fit btw. 298 and 1200 K with MAE of 0.4%, 0.8%
  PLOG/1.000E-01    8.99E+57      -15.86    29770.0/
  PLOG/1.000E-01    1.67E+41      -11.20    20380.0/                            ! fit btw. 298 and 1200 K with MAE of 0.4%, 1.0%
  PLOG/1.000E+00    1.32E+58      -15.18    34730.0/
  PLOG/1.000E+00    1.90E+37       -9.44    22790.0/                            ! fit btw. 298 and 1400 K with MAE of 1.0%, 2.3%
  PLOG/1.000E+01    4.97E+54      -13.49    39280.0/
  PLOG/1.000E+01    4.86E+26       -5.82    22950.0/                            ! fit btw. 298 and 1500 K with MAE of 3.8%, 6.9%
  PLOG/1.000E+02    2.02E+18       -2.26    27670.0/
  PLOG/1.000E+02    1.36E-05       -5.80    -17410.0/                           ! fit btw. 298 and 1700 K with MAE of 34.2%, 115.9%

C4H6-2+H=C4H71-1                                   3.17E+08        0.43    21700.0
  PLOG/1.000E-02    7.40E+56      -16.36    25690.0/
  PLOG/1.000E-02    1.84E+38      -10.94    16470.0/                            ! fit btw. 298 and 1100 K with MAE of 0.3%, 0.7%
  PLOG/1.000E-01    7.65E+58      -16.31    29770.0/
  PLOG/1.000E-01    1.49E+38      -10.32    19320.0/                            ! fit btw. 298 and 1200 K with MAE of 0.4%, 0.8%
  PLOG/1.000E+00    5.25E+56      -14.97    33280.0/
  PLOG/1.000E+00    3.42E+36       -9.39    21950.0/                            ! fit btw. 298 and 1300 K with MAE of 0.7%, 1.7%
  PLOG/1.000E+01    2.20E+53      -13.32    37490.0/
  PLOG/1.000E+01    1.33E+27       -6.13    22470.0/                            ! fit btw. 298 and 1400 K with MAE of 2.1%, 4.7%
  PLOG/1.000E+02    1.62E+44      -10.05    39910.0/
  PLOG/1.000E+02    5.01E-01        2.26    15320.0/                            ! fit btw. 298 and 1600 K with MAE of 7.2%, 17.0%

C4H6-2+H=C2H4+C2H3                                   5.02E+08        1.51    25180.0
  PLOG/1.000E-02    3.99E+18       -1.94    21650.0/
  PLOG/1.000E-02    5.13E+06        1.54    9649.0/                             ! fit btw. 298 and 2200 K with MAE of 0.1%, 0.6%
  PLOG/1.000E-01    2.31E+31       -6.08    21100.0/
  PLOG/1.000E-01    8.95E+09        0.68    13100.0/                            ! fit btw. 298 and 2200 K with MAE of 0.1%, 0.2%
  PLOG/1.000E+00    1.79E+33       -6.16    26710.0/
  PLOG/1.000E+00    6.16E+10        0.52    16590.0/                            ! fit btw. 298 and 2200 K with MAE of 0.5%, 1.2%
!  PLOG/1.000E+01    -4.75E+23       -6.50    8966.0/
!  PLOG/1.000E+01    3.68E+12        0.12    19360.0/                            ! fit btw. 298 and 2200 K with MAE of 57985.7%, 588204.9%
  PLOG/1.000E+01    1.07E+18       -1.38    23920.0/                            ! fit btw. 298 and 2200 K with MAE of 29.1%, 114.0%
  PLOG/1.000E+02    1.63E+12        0.55    28000.0/
  PLOG/1.000E+02    1.34E+05       -0.85    11910.0/                            ! fit btw. 298 and 2200 K with MAE of 40.3%, 124.3%

C4H6-2+H=C3H4-P+CH3                                   8.41E+13        0.48    11260.0  !A/5 Ea+1kcal
  PLOG/1.000E-02    2.00E+16       -0.79    13790.0/
  PLOG/1.000E-02    0.802E+20       -1.85    8318.0/                             ! fit btw. 298 and 2200 K with MAE of 0.2%, 0.7%
  PLOG/1.000E-01    0.264E+35       -5.31    36220.0/
  PLOG/1.000E-01    0.238E+21       -1.86    9926.0/                             ! fit btw. 298 and 2200 K with MAE of 1.1%, 6.2%
  PLOG/1.000E+00    0.222E+34       -5.70    17620.0/
  PLOG/1.000E+00    1.68E+12        0.59    8360.0/                             ! fit btw. 298 and 2200 K with MAE of 0.8%, 1.8%
  PLOG/1.000E+01    0.592E+35       -5.89    21580.0/
  PLOG/1.000E+01    0.244E+10        1.42    8584.0/                             ! fit btw. 298 and 2200 K with MAE of 0.8%, 1.8%
  PLOG/1.000E+02    1.138E+33       -5.19    24600.0/
  PLOG/1.000E+02    0.366E+07        2.15    8563.0/                             ! fit btw. 298 and 2200 K with MAE of 2.1%, 6.7%
    
C4H6-2+H=C3H4-A+CH3                                   1.99E+08        1.20    28130.0   !A/5
  PLOG/1.000E-02    0.62E+07        1.02    18650.0/
  PLOG/1.000E-02    1.146E+00        2.75    10850.0/                            ! fit btw. 298 and 2200 K with MAE of 0.2%, 0.4%
  PLOG/1.000E-01    0.984E+12       -0.31    26830.0/
  PLOG/1.000E-01    0.264E+08        0.71    15720.0/                            ! fit btw. 298 and 2200 K with MAE of 0.3%, 1.3%
  PLOG/1.000E+00    0.244E+35       -7.37    30560.0/
  PLOG/1.000E+00    1.66E+07        0.97    19020.0/                            ! fit btw. 298 and 2200 K with MAE of 0.5%, 2.0%
  PLOG/1.000E+01    1.93E+28       -5.03    33650.0/
  PLOG/1.000E+01    0.352E+03        2.37    20850.0/                            ! fit btw. 298 and 2200 K with MAE of 0.7%, 1.6%
  PLOG/1.000E+02    0.446E+29       -4.80    40920.0/
  PLOG/1.000E+02    0.854E-02        3.51    22350.0/                            ! fit btw. 298 and 2200 K with MAE of 3.5%, 11.5%
    
C4H6-2+H=C2H5+C2H2                                   1.19E+09        0.95    28230.0
  PLOG/1.000E-02    6.70E+06        1.25    19570.0/
  PLOG/1.000E-02    4.71E-01        3.08    11220.0/                            ! fit btw. 298 and 2200 K with MAE of 0.2%, 0.5%
  PLOG/1.000E-01    1.67E+06        1.24    15370.0/
  PLOG/1.000E-01    1.24E+10        0.42    24800.0/                            ! fit btw. 298 and 2200 K with MAE of 0.2%, 0.7%
  PLOG/1.000E+00    7.61E+34       -7.47    29970.0/
  PLOG/1.000E+00    2.10E+06        1.43    18530.0/                            ! fit btw. 298 and 2200 K with MAE of 0.2%, 0.8%
  PLOG/1.000E+01    3.90E+16       -1.40    27160.0/
  PLOG/1.000E+01    3.27E+108      -34.00    41840.0/                           ! fit btw. 298 and 2200 K with MAE of 3.8%, 8.9%
  PLOG/1.000E+02    4.15E+27       -4.35    39370.0/
  PLOG/1.000E+02    4.40E-03        3.90    22270.0/                            ! fit btw. 298 and 2200 K with MAE of 2.3%, 7.4%

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C4H6-2+H=C4H5-2+H2    5.72E4 2.825 4.821E3 !author: SN, 2*C3H4-P
C4H6-2+CH3=C4H5-2+CH4       1E+00	3.94E+00	6.810E+03 !YINJIN C3H4-P+CH3<=>C3H3+CH4 CLOSE TO BELMEKKI2002
C4H6-2+C3H3=C3H4-P+C4H5-2	1E+13	0	1.40E+04 !BELMEKKI2002
C4H6-2+O=OH+C4H5-2                                +1.44000000E+015 -8.20000000E-001 +7.67000000E+003 !\Author: HL, A*2, ANALOGY WITH C3H4-P+O<=>C3H3+OH, \Ref: GIMONDI, CAVALLOTTI, VANUZZO, BALUCANI, CASAVECCHIA, J. PHYS. CHEM. A 2016, 120, 4619-4633 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +3.80000000E+011 +2.05000000E-001 +3.14000000E+003 /
PLOG /                           +1.00000000E+000 +1.51600000E+012 +4.80000000E-002 +3.55000000E+003 /
PLOG /                           +1.00000000E+001 +4.80000000E+012 -6.60000000E-002 +5.02000000E+003 /
PLOG /                           +3.00000000E+001 +2.88000000E+015 -8.20000000E-001 +7.67000000E+003 /
C4H6-2+OH<=>C4H5-2+H2O                            +3.87000000E+005 +2.34000000E+000 +2.17300000E+003 !\Author:HL, A, ANALOGY WITH C3H4-P+OH<=>C3H3+H2O, \Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
DUP
C4H6-2+OH<=>C4H5-2+H2O                            +4.93000000E+004 +2.48000000E+000 -6.20000000E+001 !\Author:HL, A, ANALOGY WITH C3H4-P+OH<=>C3H3+H2O, \Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
DUP
C4H6-2+O2<=>C4H5-2+HO2                              +6.00000000E+013 +0.00000000E+000 +4.26000000E+004 !\Author: HL, A*2, ANALOGY WITH C3H4-P+O2<=>C3H3+HO2, \Ref: WARNING !\Comment: WARNING 
C4H6-2+O2=>CH3CO+CH3CO                              +2.00000000E+013 +0.00000000E+000 +4.10000000E+004 !\Author: HL, A, ANALOGY WITH O2+C3H4-P=>HCO+CH3CO, \Ref: WARNING !\Comment: WARNING 
C4H6-2+HO2<=>C4H5-2+H2O2                1.70E-01	4.4	13547   !HL, A, ANALOGY WITH C3H4-P+HO2<=>C3H3+H2O2;
C4H6-2+CH3O2<=>C4H5-2+CH3O2H                         +7.71E-02 +4.40000000E+000 +1.35000000E+004 !\Author: SN WARNING !\Ref: 1*C3H4-P DAGAUT, P. ET AL., CST 71, 111(1990). !\Comment: WARNING  
C4H6-2+CH3O<=>C4H5-2+CH3OH                       +1.80000000E+001 +2.95000000E+000 +1.19900000E+004 !\Author: HL, ANALOGY WITH C4H8-2+CH3O<=>C4H71-3+CH3OH, WARNING !\Ref: IN ARAMCO(ESTIMATE) !\Comment: WARNING 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONO
!___________________________________________________________________________________________________________ 
C4H6-2+O<=>CH3+CH3CCO                                +1.47900000E+009 +1.28000000E+000 +2.47200000E+003 !\Author: HL, A*2, ANALOGY WITH C3H4-P+O<=>CH3+HCCO, \Ref: NGUYEN ET AL. J.PHYS.CHEM A 2006, 110, 6696-6706 !\Comment: WARNING 
C4H6-2+O<=>CH2CCOCH3+H                               +2.95800000E+009 +1.28000000E+000 +2.47200000E+003 !\Author: HL, A*2, ANALOGY WITH C3H4-P+O<=>C3H3O+H, \Ref: NGUYEN ET AL. J.PHYS.CHEM A 2006, 110, 6696-6706 !\Comment: WARNING

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONHO2
!___________________________________________________________________________________________________________ 
C4H6-2+HO2=CH3CCOCH3+OH 1.00E+08	1.00E+00	1.00E+04 !HL ESTAMITED

C4H6-2+HO2<=>CH3CHCOCH3+O                         +5.78000000E+018 -2.09000000E+000 +2.43500000E+004 !\Author: HL, ANALOGY WITH C3H4-P+HO2<=>CH3CHCHO+O, \Ref: ANALOGY TO C2H2+HO2 GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.50000000E+006 +1.19000000E+000 +1.28800000E+004 /
PLOG /                           +1.00000000E-002 +2.94000000E-004 +4.16000000E+000 +7.73600000E+003 /
PLOG /                           +1.00000000E-001 +1.16000000E+008 +7.70000000E-001 +1.36000000E+004 /
PLOG /                           +1.00000000E-001 +6.14000000E-003 +3.81000000E+000 +8.39400000E+003 /
PLOG /                           +3.16000000E-001 +1.20000000E+007 +1.09000000E+000 +1.30500000E+004 /
PLOG /                           +3.16000000E-001 +5.44000000E-004 +4.09000000E+000 +8.04400000E+003 /
PLOG /                           +1.00000000E+000 +3.02000000E+007 +9.80000000E-001 +1.33100000E+004 /
PLOG /                           +1.00000000E+000 +2.48000000E-004 +4.19000000E+000 +8.20300000E+003 /
PLOG /                           +3.16000000E+000 +1.98000000E+074 -1.63300000E+001 +1.09200000E+005 /
PLOG /                           +3.16000000E+000 +6.57000000E+004 +1.85000000E+000 +1.23600000E+004 /
PLOG /                           +1.00000000E+001 +7.50000000E+014 -1.17000000E+000 +1.83500000E+004 /
PLOG /                           +1.00000000E+001 +2.92000000E-001 +3.38000000E+000 +1.05900000E+004 /
PLOG /                           +3.16000000E+001 +8.63000000E+018 -2.27000000E+000 +2.22300000E+004 /
PLOG /                           +3.16000000E+001 +1.95000000E+000 +3.17000000E+000 +1.17400000E+004 /
PLOG /                           +1.00000000E+002 +5.78000000E+018 -2.09000000E+000 +2.43500000E+004 /
PLOG /                           +1.00000000E+002 +1.10000000E-001 +3.52000000E+000 +1.19800000E+004 /

C4H6-2+HO2<=>CH3COCOCH3+H                         +5.91000000E+021 -3.32000000E+000 +2.50300000E+004 !\Author: HL, ANALOGY WITH C3H4-P+HO2<=>CH3COCHO+H, \Ref: ANALOGY TO C2H2+HO2 GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.51000000E+007 +4.80000000E-001 +1.17200000E+004 /
PLOG /                           +1.00000000E-002 +2.43000000E-006 +4.43000000E+000 +5.57800000E+003 /
PLOG /                           +1.00000000E-001 +7.43000000E+007 +5.00000000E-001 +1.16900000E+004 /
PLOG /                           +1.00000000E-001 +2.00000000E-006 +4.45000000E+000 +5.56400000E+003 /
PLOG /                           +3.16000000E-001 +7.91000000E+007 +4.90000000E-001 +1.17000000E+004 /
PLOG /                           +3.16000000E-001 +1.81000000E-006 +4.46000000E+000 +5.65400000E+003 /
PLOG /                           +1.00000000E+000 +2.18000000E+009 +6.00000000E-002 +1.24700000E+004 /
PLOG /                           +1.00000000E+000 +2.24000000E-005 +4.17000000E+000 +6.41600000E+003 /
PLOG /                           +3.16000000E+000 +7.00000000E+049 -1.01800000E+001 +7.71100000E+004 /
PLOG /                           +3.16000000E+000 +7.65000000E+005 +1.18000000E+000 +1.13400000E+004 /
PLOG /                           +1.00000000E+001 +4.06000000E+016 -2.03000000E+000 +1.76300000E+004 /
PLOG /                           +1.00000000E+001 +2.01000000E-002 +3.38000000E+000 +8.69600000E+003 /
PLOG /                           +3.16000000E+001 +9.38000000E+016 -2.03000000E+000 +1.95900000E+004 /
PLOG /                           +3.16000000E+001 +6.06000000E-003 +3.53000000E+000 +9.21700000E+003 /
PLOG /                           +1.00000000E+002 +5.91000000E+021 -3.32000000E+000 +2.50300000E+004 /
PLOG /                           +1.00000000E+002 +6.76000000E-002 +3.27000000E+000 +1.07600000E+004 /

C4H6-2+HO2<=>CH3CHO+CH3CO                         +2.47000000E+016 -1.70000000E+000 +2.00300000E+004 !\Author: HL, ANALOGY WITH C3H4-P+HO2<=>CH3CHO+HCO, \Ref: ANALOGY TO C2H2+HO2 GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.90000000E+013 -1.17000000E+000 +1.37500000E+004 /
PLOG /                           +1.00000000E-002 +8.43000000E+000 +2.56000000E+000 +7.38200000E+003 /
PLOG /                           +1.00000000E-001 +4.26000000E+000 +2.64000000E+000 +7.25300000E+003 /
PLOG /                           +1.00000000E-001 +1.56000000E+013 -1.05000000E+000 +1.35200000E+004 /
PLOG /                           +3.16000000E-001 +2.59000000E-006 +4.34000000E+000 +4.52500000E+003 /
PLOG /                           +3.16000000E-001 +6.90000000E+009 -0.00000000E+000 +1.17200000E+004 /
PLOG /                           +1.00000000E+000 +3.33000000E+102 -2.41800000E+001 +1.38600000E+005 /
PLOG /                           +1.00000000E+000 +8.07000000E+007 +6.00000000E-001 +1.08500000E+004 /
PLOG /                           +3.16000000E+000 +5.22000000E+015 -1.75000000E+000 +1.51800000E+004 /
PLOG /                           +3.16000000E+000 +3.54000000E+000 +2.69000000E+000 +8.02500000E+003 /
PLOG /                           +1.00000000E+001 +7.32000000E+035 -7.77000000E+000 +2.69700000E+004 /
PLOG /                           +1.00000000E+001 +9.84000000E+006 +9.10000000E-001 +1.17100000E+004 /
PLOG /                           +3.16000000E+001 +1.78000000E+028 -5.30000000E+000 +2.51300000E+004 /
PLOG /                           +3.16000000E+001 +1.79000000E+004 +1.70000000E+000 +1.12500000E+004 /
PLOG /                           +1.00000000E+002 +2.47000000E+016 -1.70000000E+000 +2.00300000E+004 /
PLOG /                           +1.00000000E+002 +4.32000000E-006 +4.31000000E+000 +6.82900000E+003 /

C4H6-2+HO2<=>C4H72-2O2                            +2.53000000E+035 -7.26000000E+000 +2.63900000E+004 !\Author: HL, ANALOGY WITH C3H4-P+HO2<=>SC3H5OO, \Ref: ANALOGY TO C2H2+HO2 GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.99000000E+006 -1.02000000E+000 +9.15200000E+003 /
PLOG /                           +1.00000000E-002 +1.88000000E+026 -8.34000000E+000 +9.24900000E+003 /
PLOG /                           +1.00000000E-001 +6.02000000E+017 -3.82000000E+000 +1.07900000E+004 /
PLOG /                           +1.00000000E-001 +5.26000000E+129 -4.17400000E+001 +3.59300000E+004 /
PLOG /                           +3.16000000E-001 +2.47000000E+048 -1.28200000E+001 +2.52200000E+004 /
PLOG /                           +3.16000000E-001 +1.96000000E+018 -3.67000000E+000 +1.04800000E+004 /
PLOG /                           +1.00000000E+000 +4.06000000E+050 -1.30700000E+001 +2.72200000E+004 /
PLOG /                           +1.00000000E+000 +4.93000000E+021 -4.37000000E+000 +1.22200000E+004 /
PLOG /                           +3.16000000E+000 +9.08000000E+046 -1.15700000E+001 +2.68800000E+004 /
PLOG /                           +3.16000000E+000 +1.92000000E+022 -4.28000000E+000 +1.30800000E+004 /
PLOG /                           +1.00000000E+001 +4.60000000E+043 -1.02400000E+001 +2.69300000E+004 /
PLOG /                           +1.00000000E+001 +2.11000000E+021 -3.78000000E+000 +1.33800000E+004 /
PLOG /                           +3.16000000E+001 +5.61000000E+038 -8.49000000E+000 +2.62100000E+004 /
PLOG /                           +3.16000000E+001 +1.39000000E+020 -3.30000000E+000 +1.34100000E+004 /
PLOG /                           +1.00000000E+002 +2.53000000E+035 -7.26000000E+000 +2.63900000E+004 /
PLOG /                           +1.00000000E+002 +1.42000000E+019 -2.91000000E+000 +1.34200000E+004 /

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONOH
!___________________________________________________________________________________________________________ 
C4H6-2+OH=SC4H6OH-2                               +3.72000000E+018 -2.03000000E+000 -4.00000000E-001 !\Author: HL, ANALOGY WITH C4H8-2+OH<=>SC4H8OH-3, \Ref: ANTONOV, IVAN O., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A119.28(2015) !\Comment: WARNING 
PLOG /                           +9.87000000E-004 +1.10000000E+039 -9.21000000E+000 +3.56500000E+003 /
PLOG /                           +9.87000000E-004 +3.72000000E-040 +1.56000000E+001 -1.04000000E+004 /
PLOG /                           +9.87000000E-003 +1.70000000E+063 -1.66700000E+001 +1.26000000E+004 /
PLOG /                           +9.87000000E-003 +1.71000000E+026 -4.90000000E+000 +8.77900000E+002 /
PLOG /                           +9.87000000E-002 +1.93000000E+072 -1.90200000E+001 +1.89400000E+004 /
PLOG /                           +9.87000000E-002 +1.55000000E+023 -3.72000000E+000 +5.66500000E+002 /
PLOG /                           +9.87000000E-001 +1.53000000E+026 -4.36000000E+000 +3.21500000E+003 /
PLOG /                           +9.87000000E-001 +2.98000000E+026 -5.01000000E+000 +8.81100000E+002 /
PLOG /                           +9.87000000E+000 +8.24000000E+024 -4.41000000E+000 +7.22000000E+002 /
PLOG /                           +9.87000000E+000 +4.58000000E+020 -2.50000000E+000 +2.16000000E+003 /
PLOG /                           +9.87000000E+001 +3.72000000E+018 -2.03000000E+000 -4.00000000E-001 /
PLOG /                           +9.87000000E+001 +9.84000000E+020 -2.39000000E+000 +5.54300000E+003 /

C4H6-2+OH=CH3CHCO+CH3                             +3.20000000E+023 -2.80000000E+000 +2.08200000E+004 !\Author: HL, A*2, ANALOGY WITH C3H4-P+OH=CH2CO+CH3, \Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +5.32000000E+019 -2.65000000E+000 +3.16800000E+003 /
PLOG /                           +9.86900000E-004 +1.19400000E+006 +1.79000000E+000 +3.03000000E+001 /
PLOG /                           +9.86900000E-003 +5.30000000E+023 -3.76000000E+000 +6.00100000E+003 /
PLOG /                           +9.86900000E-003 +3.54000000E+006 +1.67000000E+000 +6.51600000E+002 /
PLOG /                           +9.86900000E-002 +2.14000000E+026 -4.36000000E+000 +9.18600000E+003 /
PLOG /                           +9.86900000E-002 +1.63400000E+007 +1.51000000E+000 +1.90000000E+003 /
PLOG /                           +1.31300000E-001 +2.50000000E+026 -4.35000000E+000 +9.55200000E+003 /
PLOG /                           +1.31300000E-001 +1.68000000E+007 +1.50000000E+000 +2.05500000E+003 /
PLOG /                           +9.86900000E-001 +8.14000000E+026 -4.29000000E+000 +1.25600000E+004 /
PLOG /                           +9.86900000E-001 +9.36000000E+006 +1.60000000E+000 +3.21600000E+003 /
PLOG /                           +9.86900000E+000 +3.24000000E+025 -3.63000000E+000 +1.60000000E+004 /
PLOG /                           +9.86900000E+000 +5.16000000E+004 +2.24000000E+000 +4.38100000E+003 /
PLOG /                           +9.86900000E+001 +3.20000000E+023 -2.80000000E+000 +2.08200000E+004 /
PLOG /                           +9.86900000E+001 +4.94000000E+002 +2.59000000E+000 +5.44700000E+003 /

!===========================================================================================================
!\SUBSPECIES: C4H5-2
!===========================================================================================================
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C4H5-2=BUTA123TRIENE+H                                   1.99E+13        0.18    57010.0
  PLOG/1.000E-02    6.17E+58      -13.92    75460.0/
  PLOG/1.000E-02    2.90E+38       -8.46    62110.0/                            ! fit btw. 298 and 1900 K with MAE of 2.4%, 7.3%
  PLOG/1.000E-01    9.20E+56      -13.04    77160.0/
  PLOG/1.000E-01    2.38E+33       -6.68    61190.0/                            ! fit btw. 298 and 2000 K with MAE of 3.8%, 10.9%
  PLOG/1.000E+00    2.36E+54      -11.96    78920.0/
  PLOG/1.000E+00    1.77E+27       -4.57    59930.0/                            ! fit btw. 298 and 2000 K with MAE of 5.3%, 15.8%
  PLOG/1.000E+01    5.95E+48      -10.07    78950.0/
  PLOG/1.000E+01    1.36E+21       -2.52    58530.0/                            ! fit btw. 298 and 2000 K with MAE of 5.2%, 15.3%
  PLOG/1.000E+02    1.88E+27       -3.77    66840.0/
  PLOG/1.000E+02    9.96E+19       -2.21    58020.0/                            ! fit btw. 298 and 2000 K with MAE of 5.1%, 15.4%

C4H5-2=C4H4+H                                   9.49E+04        2.78    58230.0
  PLOG/1.000E-02    6.60E+57      -13.61    73520.0/
  PLOG/1.000E-02    1.68E+37       -8.10    59980.0/                            ! fit btw. 298 and 1900 K with MAE of 2.8%, 8.6%
  PLOG/1.000E-01    4.96E+55      -12.66    75360.0/
  PLOG/1.000E-01    4.30E+33       -6.80    60650.0/                            ! fit btw. 298 and 2000 K with MAE of 4.1%, 12.9%
  PLOG/1.000E+00    8.61E+31       -5.49    65290.0/
  PLOG/1.000E+00    1.07E+25       -6.24    52160.0/                            ! fit btw. 298 and 2000 K with MAE of 28.2%, 91.0%
!  PLOG/1.000E+01    -2.67E+23       -3.28    60130.0/
!  PLOG/1.000E+01    1.53E+12        0.48    57400.0/                            ! fit btw. 298 and 2000 K with MAE of 48.3%, 216.4%
!  PLOG/1.000E+02    -1.33E+10        0.79    56900.0/
!  PLOG/1.000E+02    1.48E-01        4.46    54270.0/                            ! fit btw. 298 and 2000 K with MAE of 51.9%, 238.5%
  PLOG/1.000E+01    1.04E+18       -1.21    61190.0/                            ! fit btw. 298 and 2000 K with MAE of 59.1%, 161.7%
  PLOG/1.000E+02    9.49E+04        2.78    58230.0/                            ! fit btw. 298 and 2000 K with MAE of 60.0%, 158.6%

C4H5-2=C2H3+C2H2                                   1.42E+15       -0.37    71140.0
  PLOG/1.000E-02    7.04E+57      -14.19    77650.0/
  PLOG/1.000E-02    6.67E+39       -9.33    65910.0/                            ! fit btw. 298 and 1900 K with MAE of 2.1%, 5.4%
  PLOG/1.000E-01    1.47E+57      -13.57    80470.0/
  PLOG/1.000E-01    1.10E+39       -8.77    67930.0/                            ! fit btw. 298 and 2000 K with MAE of 2.6%, 8.6%
  PLOG/1.000E+00    6.12E+54      -12.49    83090.0/
  PLOG/1.000E+00    3.79E+35       -7.43    69660.0/                            ! fit btw. 298 and 2000 K with MAE of 4.2%, 11.8%
  PLOG/1.000E+01    5.97E+49      -10.66    85160.0/
  PLOG/1.000E+01    8.16E+26       -4.65    69700.0/                            ! fit btw. 298 and 2000 K with MAE of 6.3%, 16.6%
!  PLOG/1.000E+02    -2.98E+20       -2.44    69670.0/
!  PLOG/1.000E+02    3.12E+09        1.25    67090.0/                            ! fit btw. 298 and 2000 K with MAE of 48.4%, 200.4%
  PLOG/1.000E+02    1.42E+15       -0.37    71140.0/                            ! fit btw. 298 and 2000 K with MAE of 61.4%, 173.4%
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C4H5-2+H<=>C3H3+CH3                               +3.15000000E+032 -4.83000000E+000 +2.60000000E+004 !\Author: HL ANALOGY WITH C3H5-T+H<=>C2H3+CH3, !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.31000000E+016 -6.90000000E-001 +5.20000000E+003 /
PLOG /                           +1.00000000E-002 +8.04000000E+013 -1.40000000E-001 +1.15000000E+003 /
PLOG /                           +1.00000000E-001 +9.04000000E+016 -8.10000000E-001 +4.80000000E+003 /
PLOG /                           +1.00000000E-001 +7.17000000E+010 +6.70000000E-001 +6.73800000E+002 /
PLOG /                           +1.00000000E+000 +2.01000000E+024 -2.86000000E+000 +1.09000000E+004 /
PLOG /                           +1.00000000E+000 +9.97000000E+008 +1.36000000E+000 +1.59640000E+003 /
PLOG /                           +1.00000000E+001 +2.75000000E+026 -3.31000000E+000 +1.58000000E+004 /
PLOG /                           +1.00000000E+001 +7.41000000E+007 +1.57000000E+000 +2.10880000E+003 /
PLOG /                           +1.00000000E+002 +3.15000000E+032 -4.83000000E+000 +2.60000000E+004 /
PLOG /                           +1.00000000E+002 +2.70000000E+012 +3.20000000E-001 +6.79180000E+003 /
H2CCC(S)+CH3=C4H5-2                               +3.80000000E+036 -7.58000000E+000 +3.13000000E+004 !\Author: HL ANALOGY WITH C2H2+CH3=C3H5-T, !\Ref: MILLER ET AL. J. PHYS. CHEM. A 2008, 112, 9429-9438 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +6.80000000E+020 -4.16000000E+000 +1.80000000E+004 /
PLOG /                           +1.00000000E+000 +4.99000000E+022 -4.39000000E+000 +1.88500000E+004 /
PLOG /                           +2.00000000E+000 +6.00000000E+023 -4.60000000E+000 +1.95710000E+004 /
PLOG /                           +5.00000000E+000 +7.31000000E+025 -5.06000000E+000 +2.11500000E+004 /
PLOG /                           +1.00000000E+001 +9.30000000E+027 -5.55000000E+000 +2.29000000E+004 /
PLOG /                           +1.00000000E+002 +3.80000000E+036 -7.58000000E+000 +3.13000000E+004 /
C4H5-2+OH<=>CH2OH+C3H3                            +3.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H5-2+HO2=>OH+C2H2+CH3CO                         +8.00000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H5-2+O2<=>CH3CO+CH2CO                           +2.16000000E+010 +0.00000000E+000 +2.50000000E+003 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H5-2+O<=>CH2O+C3H3                              +3.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H5-2+O<=>C4H4O+H                                +1.40000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: HL, ANALOGY WITH C3H3+O<=>C2HCHO+H, \Ref: KUKKADAPU1@LLNL.GOV, BASED ON RECOMMENDATION FROM SLAGLE ET AL., PROCI 23(1991), 115-121 !\Comment: WARNING 
C4H5-2+OH<=>C2H3+CH3CO                            +2.29000000E+036 -6.25000000E+000 +2.41000000E+004 !\Author: HL, ANALOGY WITH C3H3+OH<=>C2H3+HCO, \Ref: VANUZZO, BALUCANI, LEONORI, STRANGES, FALCINELLI, BERGEAT, CASAVECCHIA, GIMONDI, CAVALLOTTI, J. PHYS. CHEM. LETT. 2016, 7, 1010-1015 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +1.07088000E+019 -1.65000000E+000 +4.47000000E+003 /
PLOG /                           +1.00000000E+000 +1.09582000E+019 -1.65000000E+000 +4.62800000E+003 /
PLOG /                           +1.00000000E+001 +4.56815000E+025 -3.41000000E+000 +1.20900000E+004 /
PLOG /                           +3.00000000E+001 +2.29000000E+036 -6.25000000E+000 +2.41000000E+004 /

!===========================================================================================================
!\ENDSUBSPECIES: C4H5-2
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: BUTA123TRIENE
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>PRODUCTS
!___________________________________________________________________________________________________________ 

C4H3-I+H<=>BUTA123TRIENE       3.162E+29	-5	4711!\Author: HL ANALOGY WITH C3H3+H<=>C3H4-A\Ref: Miller and Klippenstein, J. Phys. Chem. A 2003, 107, 2680-2692 !\Comment: WARNING!SP_
PLOG / 0.0395    3.388E+36	-7.41   6337 /
PLOG / 1.00      3.162E+29	-5.00   4711 /
PLOG / 10.0      8.710E+23	-3.2    3255 /

BUTA123TRIENE+CH3<=>C4H3-I+CH4                    +4.40000000E+001 +3.24000000E+000 +7.76100000E+003 !\Author: HL ANALOGY WITH C3H4-A+CH3<=>C3H3+CH4!\Ref: WARNING !\Comment: WARNING 
BUTA123TRIENE+H<=>C4H3-I+H2                       +6.62500000E+003 +3.09500000E+000 +5.52200000E+003 !\Author: HL ANALOGY WITH C3H4-A+H<=>C3H3+H2\Ref: MILLER ET AL., J. PHYS. CHEM. A, VOL. 112, NO. 39, 2008 !\Comment: WARNING 
BUTA123TRIENE+H=>CH3+H2CCC(S)                     +1.37000000E+017 -7.90000000E-001 +1.76030000E+004 !\Author: HL ANALOGY WITH C3H4-A+H=CH3+C2H2\Ref: MILLER ET AL. J. PHYS. CHEM. A 2008, 112, 9429-9438 !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.23000000E+008 +1.53000000E+000 +4.73700000E+003 /
PLOG /                           +3.90000000E-002 +2.72000000E+009 +1.20000000E+000 +6.83400000E+003 /
PLOG /                           +1.00000000E+000 +1.26000000E+020 -1.83000000E+000 +1.50030000E+004 /
PLOG /                           +1.00000000E+000 +1.23000000E+004 +2.68000000E+000 +6.33500000E+003 /
PLOG /                           +1.00000000E+001 +1.68000000E+016 -6.00000000E-001 +1.47540000E+004 /
PLOG /                           +1.00000000E+001 +3.31000000E+008 +1.14000000E+000 +8.88600000E+003 /
PLOG /                           +1.00000000E+002 +1.37000000E+017 -7.90000000E-001 +1.76030000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+006 +1.71000000E+000 +9.77400000E+003 /
BUTA123TRIENE+C2H<=>C2H2+C4H3-I                   +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: HL, ANALOGY WITH C3H4-A+C2H<=>C2H2+C3H3, \Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
BUTA123TRIENE+O2<=>C4H3-I+HO2                     +4.00000000E+013 +0.00000000E+000 +4.13200000E+004 !\Author: HL,ANALOGY WITH C3H4-A+O2<=>C3H3+HO2, \Ref: ANALOGY WITH CURRAN 2006 ALKYL DECOMP !\Comment: WARNING 
BUTA123TRIENE+CH3O2<=>C4H3-I+CH3O2H               +7.70000000E-002 +4.40000000E+000 +1.38000000E+004 !\Author: HL, ANALOGY WITH C3H4-A+CH3O2=C3H3+CH3O2H, \Ref: WARNING !\Comment: WARNING 
BUTA123TRIENE+C3H5-A<=>C4H3-I+C3H6                +8.40000000E+002 +3.22000000E+000	+1.44000000E+004 !\Author: HL, ANALOGY WITH C3H4-A+C3H5-A<=>C3H3+C3H6, \Ref: WARNING !\Comment: WARNING 
BUTA123TRIENE+O<=>C4H3-I+OH      +1.93E+06	2.05E+00	1.80E+02!\Author: HL, ANALOGY WITH C3H4-A+O<=>C3H3+OH, \Ref: Nguyen, Peeters, and Vereecken, J. Phys. Chem. A 2006, 110, 12166-12176!\Comment: 20% BR to H-ABSTRACTION
BUTA123TRIENE+HCO<=>C4H5-I+CO   +1.00000000E+007 +2.00000000E+000 +6.00000000E+003 !\Author:HL, ANALOGY WITH C3H4-A+HCO<=>C3H5-A+CO, \Ref: GRI 3.0 AND USC II !\Comment: C2H2+HCO<=>C2H3+CO 
BUTA123TRIENE+OH<=>C4H3-I+H2O                     +5.05000000E+005 +2.36000000E+000 +2.87900000E+003 !\Author: HL, ANALOGY WITH C3H4-A+OH<=>C3H3+H2O, \Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
DUP
BUTA123TRIENE+OH<=>C4H3-I+H2O                     +5.95000000E+004 +2.50000000E+000 +6.61100000E+002 !\Author: HL, ANALOGY WITH C3H4-A+OH<=>C3H3+H2O, \Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
DUP
!===========================================================================================================
!\ENDSUBSPECIES: BUTA123TRIENE
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONH
!___________________________________________________________________________________________________________ 
IC4H7=C4H6-2+H                                         3.18E+56  -14.562   90458 !! ADDED BY KUKKADAPU1@LLNL.GOV, FROM KUN WANG'S STUDY 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONS
!___________________________________________________________________________________________________________ 


!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
CH2CCOCH3=>C2HCOCH3+H                             +2.57000000E+020 -2.06000000E+000 +2.20401000E+004 !\Author: HL, ANALOGY WITH C3H3O=>C2HCHO+H, \Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325 3346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +3.00000000E+015 -2.31000000E+000 +1.46679000E+004 /
PLOG /                           +1.00000000E-002 +1.50000000E+022 -3.96000000E+000 +1.82830000E+004 /
PLOG /                           +1.00000000E-001 +1.95000000E+023 -3.99000000E+000 +1.91433000E+004 /
PLOG /                           +1.00000000E+000 +1.15000000E+025 -4.24000000E+000 +2.03112000E+004 /
PLOG /                           +1.00000000E+001 +1.76000000E+028 -4.89000000E+000 +2.27652000E+004 /
PLOG /                           +1.00000000E+002 +1.41000000E+027 -4.28000000E+000 +2.37706000E+004 /
PLOG /                           +1.00000000E+003 +2.57000000E+020 -2.06000000E+000 +2.20401000E+004 /

CH2CCOCH3+H<=>C2H3COCH3                            +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: HL, ANALOGY WITH CH3COCH2+H<=>CH3COCH3, \Ref: WJP !\Comment: WARNING 
CH2CCOCH3<=>CH2CCO+CH3                                +7.04000000E+036 -6.61000000E+000 +5.55000000E+004 !\Author: HL, ANALOGY WITH CH3COCH2=CH2CO+CH3, \Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +5.41000000E+058 -1.45400000E+001 +5.56700000E+004 /
PLOG /                           +9.86900000E-004 +1.04000000E+046 -1.11600000E+001 +4.74700000E+004 /
PLOG /                           +9.86900000E-003 +5.78000000E+057 -1.38900000E+001 +5.68800000E+004 /
PLOG /                           +9.86900000E-003 +1.55000000E+042 -9.70000000E+000 +4.71000000E+004 /
PLOG /                           +9.86900000E-002 +4.72000000E+055 -1.29200000E+001 +5.80100000E+004 /
PLOG /                           +9.86900000E-002 +7.49000000E+036 -7.81000000E+000 +4.62200000E+004 /
PLOG /                           +1.31300000E-001 +2.02000000E+055 -1.27700000E+001 +5.81200000E+004 /
PLOG /                           +1.31300000E-001 +1.23000000E+036 -7.53000000E+000 +4.60700000E+004 /
PLOG /                           +9.86900000E-001 +1.28000000E+052 -1.15400000E+001 +5.87500000E+004 /
PLOG /                           +9.86900000E-001 +3.99000000E+030 -5.63000000E+000 +4.50100000E+004 /
PLOG /                           +9.86900000E+000 +1.74000000E+046 -9.54000000E+000 +5.83700000E+004 /
PLOG /                           +9.86900000E+000 +3.96000000E+024 -3.58000000E+000 +4.37400000E+004 /
PLOG /                           +9.86900000E+001 +7.04000000E+036 -6.61000000E+000 +5.55000000E+004 /
PLOG /                           +9.86900000E+001 +3.50000000E+019 -1.89000000E+000 +4.25800000E+004 /


SC4H6OH-2+O2<=>CH3COCOCH3+OH                      +2.53000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: HL, ANLOGY WITH PC3H4OH-2+O2<=>CH3COCHO+OH, \Ref: ANALOGY TO C2H2OH+O2<=>CHOCHO+OH M.SIESE, C.ZETZSCH, Z. PHYS. CHEM. 188(1995) 75-89 !\Comment: WARNING 
SC4H6OH-2<=>CH3CHCOCH3                            +4.07000000E+051 -1.16600000E+001 +5.00200000E+004 !\Author: HL, ANALOGY WITH CH3C(OH)CH=CH3COCH2, \Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +3.47000000E+001 +0.00000000E+000 +7.21800000E+003 /
PLOG /                           +9.86900000E-004 +0.00000000E+000 +0.00000000E+000 +0.00000000E+000 /
PLOG /                           +9.86900000E-003 +7.41000000E-039 +1.06100000E+001 -2.48000000E+004 /
PLOG /                           +9.86900000E-003 +0.00000000E+000 +0.00000000E+000 +0.00000000E+000 /
PLOG /                           +9.86900000E-002 +1.53000000E+114 -3.29300000E+001 +6.08500000E+004 /
PLOG /                           +9.86900000E-002 +0.00000000E+000 +0.00000000E+000 +0.00000000E+000 /
PLOG /                           +1.31300000E-001 +7.46000000E-127 +4.08100000E+001 -3.27200000E+004 /
PLOG /                           +1.31300000E-001 +9.90000000E-161 +2.11000000E+001 -1.54900000E+005 /
PLOG /                           +9.86900000E-001 +4.59000000E+067 -1.77600000E+001 +4.77300000E+004 /
PLOG /                           +9.86900000E-001 +1.70000000E+037 -1.60700000E+001 -9.64000000E+002 /
PLOG /                           +9.86900000E+000 +1.54000000E-102 +2.60700000E+001 -5.50400000E+004 /
PLOG /                           +9.86900000E+000 +1.06000000E+047 -1.09100000E+001 +4.20800000E+004 /
PLOG /                           +9.86900000E+001 +4.07000000E+051 -1.16600000E+001 +5.00200000E+004 /
PLOG /                           +9.86900000E+001 +4.93000000E+026 -4.92000000E+000 +3.22500000E+004 /
SC4H6OH-2<=>CH3CHCO+CH3                           +6.80000000E+031 -5.55000000E+000 +4.46200000E+004 !\Author: HL, ANALOGY WITH CH3C(OH)CH=CH2CO+CH3, \Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
PLOG /                           +9.87000000E-004 +5.73000000E+015 -2.11700000E+000 +2.52176680E+004 /
PLOG /                           +9.87000000E-003 +3.10000000E+024 -4.45000000E+000 +3.04600000E+004 /
PLOG /                           +9.87000000E-003 +4.55000000E+000 -1.00900000E+001 -2.21200000E+004 /
PLOG /                           +9.87000000E-002 +2.19000000E+020 -2.89900000E+000 +3.04920000E+004 /
PLOG /                           +1.31000000E-001 +3.86000000E+019 -2.78000000E+000 +2.98200000E+004 /
PLOG /                           +1.31000000E-001 +3.86000000E+019 -2.78000000E+000 +2.98200000E+004 /
PLOG /                           +9.87000000E-001 +3.88000000E+045 -1.02500000E+001 +4.33400000E+004 /
PLOG /                           +9.87000000E-001 +3.67000000E+021 -3.65000000E+000 +2.98700000E+004 /
PLOG /                           +9.87000000E+000 +1.17000000E+041 -8.56000000E+000 +4.47100000E+004 /
PLOG /                           +9.87000000E+000 +5.81000000E+015 -1.66000000E+000 +2.99400000E+004 /
PLOG /                           +9.87000000E+001 +6.80000000E+031 -5.55000000E+000 +4.46200000E+004 /
PLOG /                           +9.87000000E+001 +2.31000000E+005 +1.67000000E+000 +2.83600000E+004 /

CH3CCOCH3+O2<=>CH3COCOCH3+O                       +1.30000000E+006 +2.42020000E+000 +1.60400000E+003 !\Author: HL, ANALOGY WITH CH3CCHO+O2<=>CH3COCHO+O, \Ref: ANALOGY TO CHCHO+O2<=>CHOCHO+O GIMENEZ-LOPEZ ET AL. INT. J. CHEM. KINET. 48, 11(2016) 724-738 !\Comment: WARNING 

CH3CHCOCH3=CH2CH2COCH3                            +1.11000000E+020 -2.19000000E+000 +4.27800000E+004 !\Author: HL, ANALOGY WITH CH3CHCHO=CH2CH2CHO, \Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 \COMMENT !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +1.23000000E+065 -1.80100000E+001 +5.15000000E+004 /
PLOG /                           +9.86900000E-004 +9.43000000E+016 -3.28000000E+000 +3.19500000E+004 /
PLOG /                           +9.86900000E-003 +2.43000000E+027 -5.88000000E+000 +3.81100000E+004 /
PLOG /                           +9.86900000E-003 +5.64000000E+002 -7.68000000E+000 -2.36700000E+003 /
PLOG /                           +9.86900000E-002 +3.53000000E+021 -3.61000000E+000 +3.78800000E+004 /
PLOG /                           +9.86900000E-002 +3.42000000E-001 -8.98000000E+000 -1.12400000E+004 /
PLOG /                           +9.86900000E-001 +1.44000000E+012 -5.30000000E-001 +3.52900000E+004 /
PLOG /                           +9.86900000E-001 +1.44000000E+012 -5.30000000E-001 +3.52900000E+004 /
PLOG /                           +9.86900000E+000 +1.36000000E+034 -6.67000000E+000 +4.74100000E+004 /
PLOG /                           +9.86900000E+000 +1.68000000E+001 +2.48000000E+000 +2.98800000E+004 /
PLOG /                           +9.86900000E+001 +1.11000000E+020 -2.19000000E+000 +4.27800000E+004 /
PLOG /                           +9.86900000E+001 +6.70000000E-008 +5.27000000E+000 +2.78200000E+004 /

CH3CHCOCH3=C4H63,1-3OH                            +1.92000000E-006 +4.920   22300 !\AUTHOR: HL, ANALOGY WITH CH3CHCHO=CH2CHCHOH, \Ref:  ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35 (2015) 181-188 \COMMENT !\COMMENT: WARNING
PLOG /  9.87E-04  1.12E+43  -10.330   41010 /
PLOG /  9.87E-04  1.09E-10    4.950   15900 /
PLOG /  9.87E-03  3.13E-10    4.870   16270 /
PLOG /  9.87E-03  9.34E+40   -9.390   41980 /
!DONG 1027 CONVERGE \RefIT!PLOG /  9.87E-02 -1.11E+14   -1.820   24810 /
!DONG 1027 CONVERGE \RefIT!PLOG /  9.87E-02  6.50E+00    2.570   21470 /
PLOG /  9.87E-02  1.34E-06    4.607	  20000.2 / ! fit btw. 500 and 2000 K with MAE of 70%, 30%
PLOG /  9.87E-02  2.66E+04	 -3.600	  21000.0 /
!DONG 1027 CONVERGE \RefIR!PLOG /  9.87E-01 -3.42E+08    0.030   23400 /
!DONG 1027 CONVERGE \RefIR!PLOG /  9.87E-01  6.36E-03    3.590   20710 /
PLOG /  9.87E-01  1.22E+03    2.067	  25000.17 / ! fit btw. 500 and 2000 K with MAE of 70%, 30%
PLOG /  9.87E-01  2.87E+04	 -3.500	  21100.00 /
PLOG /  9.87E+00  5.94E+23   -3.690   38040 /
PLOG /  9.87E+00  8.77E-15    6.500   15570 /
PLOG /  9.87E+01  3.51E+16   -1.470   35170 /
PLOG /  9.87E+01  6.25E-17    7.200   14980 /

CH3CHCOCH3+HO2=>CH3CO+CH3CHO+OH                   +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: HL, ANALOGY WITH CH3CHCHO+HO2=>HCO+CH3CHO+OH, \Ref: WARNING !\Comment: WARNING 
CH3COCOCH3<=>CH3CO+CH3CO                          +3.00000000E+060 -1.33000000E+001 +8.89930000E+004 !\Author: HL, ANALOGY WITH CHOCHO<=>HCO+HCO, \Ref: G. FRIEDRICHS ET AL. PHYS. CHEM. CHEM. PHYS. 10(2008) 6520-6533 !\Comment: WARNING 
PLOG /                           +9.86900000E-003 +1.00000000E+042 -9.70000000E+000 +7.35340000E+004 /
PLOG /                           +4.93500000E-002 +6.00000000E+048 -1.11000000E+001 +7.74620000E+004 /
PLOG /                           +9.86900000E-002 +1.70000000E+051 -1.16000000E+001 +7.91110000E+004 /
PLOG /                           +4.93500000E-001 +5.30000000E+055 -1.25000000E+001 +8.27740000E+004 /
PLOG /                           +9.86900000E-001 +1.90000000E+057 -1.28000000E+001 +8.43210000E+004 /
PLOG /                           +4.93500000E+000 +2.20000000E+059 -1.31000000E+001 +8.72580000E+004 /
PLOG /                           +9.86900000E+000 +3.00000000E+060 -1.33000000E+001 +8.89930000E+004 /

CH3COCOCH3+H<=>CH3CHO+CH3CO                       +5.40000000E+013 +0.00000000E+000 +4.30000000E+003 !\Author: HL, ANALOGY WITH CHOCHO+H<=>CH2O+HCO, \Ref: M. COLBERG, G. FRIEDRICHS, J. PHYS. CHEM. A, 110(2006) 160-170 !\Comment: WARNING 
!HL 220624!CH3COCOCH3+OH=>CH3CO+CO+CH3OH                     +6.13299000E+004 +2.65000000E+000 -4.58640000E+003 !\Author: HL, ANALOGY WITH CHOCHO+OH=>HCO+CO+H2O, \Ref: J. MENDES, C-W ZHOU, AND H. J. CURRAN. JPCA, 2014, 118, 12089-12104. !\Comment: WARNING 
CH3COCOCH3+OH=>CH3CO+CH2CO+H2O                     +6.13299480E+004 +2.65419000E+000 -4.58640000E+003 !\Author: HL, ANALOGY WITH CH3COCHO+OH=>2CO+CH3+H2O, !\Ref !\Ref: WARNING !\Comment: WARNING 
CH3COCOCH3+OH<=>CH3COHOJCOCH3                      +6.32000000E+006 +1.63000000E+000 +2.28400000E+003 !\Author: HL !, ANALOGY WITH CH3COCH3+OH, CH2O+OH<=>HOCH2O \Author: KPS !\Ref: DAMES, CNF, 2016 !\Comment: ORIGINALLY FROM XU /ZHU2006 
CH3COHOJCOCH3<=>CH3COOH+CH3CO                      +6.42000000E+027 -4.63000000E+000 +1.84000000E+004 !Author: HL !, ANALOGY WITH CH3COHOJCH3=CH3COOH+CH3, IC3H7O=CH3CHO+CH3 \Author: SD !\Ref: ZADOR AND MILLER, PROC. COMBUST. 34(2013) 519-526 !\Comment: WARNING 
PLOG /                           +5.26000000E-003 +1.76000000E+031 -7.20000000E+000 +1.64000000E+004 /
PLOG /                           +1.00000000E-001 +1.18000000E+035 -7.97000000E+000 +1.80000000E+004 /
PLOG /                           +1.00000000E+000 +8.10000000E+035 -7.88000000E+000 +1.89000000E+004 /
PLOG /                           +1.00000000E+001 +1.09000000E+034 -6.93000000E+000 +1.92000000E+004 /
PLOG /                           +1.00000000E+002 +6.42000000E+027 -4.63000000E+000 +1.84000000E+004 /

CH2CCO2HCH3<=>C2HCOCH3+H2O                        +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 !\Author: HL, ANALOGY WITH C3H3O2H<=>C2HCHO+H2O, \Ref: ANALOGY WITH C3H5-A+HO2 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.99000000E+050 -1.27000000E+001 +5.35319000E+004 /
PLOG /                           +1.00000000E-001 +4.72000000E+047 -1.15000000E+001 +5.43609000E+004 /
PLOG /                           +1.00000000E+000 +1.50000000E+040 -8.84000000E+000 +5.31792000E+004 /
PLOG /                           +1.00000000E+001 +2.54000000E+028 -5.00000000E+000 +4.99194000E+004 /
PLOG /                           +1.00000000E+002 +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 /
CH2CCO2HCH3<=>CH2CCOCH3+OH                              +1.28000000E+027 -3.61000000E+000 +2.30331000E+004 !\Author: HL, ANALOGY WITH IC3H5Q<=>CH3COCH2+OH, \Ref: FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325?346 \COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +3.09669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +3.08938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +2.91685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +2.61290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +2.30331000E+004 /
CH2CCO2HCH3=>CH2CCO+CH3+OH                              +1.59000000E+020 -1.50000000E+000 +4.28794600E+004 !\Author:HL, ANALOGY WITH IC3H5Q=>CH2CO+CH3+OH, \Ref: C ZHOU ESTIMATED SECOND-O2 ADDITION FROM F. GOLDSMITH CALCULATION. !\Comment: !ANALOGY TO O2+QOOH_2 

C4H72-2OH+H<=>SC4H8OH-3                           +6.25000000E+011 +5.10000000E-001 +4.02000000E+003 !\Author: HL, ANALOGY WITH IC3H5OH+H<=>C3H6OH2-1, \Ref: BASED ON IC4H8+H<=>IC4H9 !\Comment: WARNING 
C4H72-2OH+OH=C4H63,1-2OH+H2O                      +2.10000000E+007 +1.77000000E+000 +2.71000000E+002 !\Author: HL, ANALOGY WITH IC3H5OH+OH=SC3H4OH+H2O, \Ref: WARNING !\Comment: WARNING 
C4H72-2OH+HO2=C4H63,1-2OH+H2O2                    +7.71000000E-002 +4.40000000E+000 +1.35470000E+004 !\Author: HL, ANALOGY WITH IC3H5OH+HO2=SC3H4OH+H2O2, \Ref: WARNING !\Comment: WARNING 

C2H4COCH2<=>C3H4-P+CH2O                          +6.00000000E+014 +0.00000000E+000 +6.00000000E+004 !\Author: HL, ANALOGY WITH CH2COCH2<=>C2H2+CH2O, \Ref: WARNING !\Comment: WARNING 
C2H4COCH2+OH=>CH2O+C3H3+H2O                      +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: HL, ANALOGY WITH CH2COCH2+OH=>CH2O+C2H+H2O, \Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
C2H4COCH2+H=>CH2O+C3H3+H2                        +2.63000000E+007 +2.00000000E+000 +5.00000000E+003 !\Author: HL, ANALOGY WITH CH2COCH2+H=>CH2O+C2H+H2, \Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
C2H4COCH2+O=>CH2O+C3H3+OH                        +8.43000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: HL, ANALOGY WITH CH2COCH2+O=>CH2O+C2H+OH, \Ref: WESTBROOK ESTIMATE !\Comment: WARNING 
C2H4COCH2+HO2=>CH2O+C3H3+H2O2                    +1.00000000E+013 +0.00000000E+000 +1.50000000E+004 !\Author: HL, ANALOGY WITH CH2COCH2+HO2=>CH2O+C2H+H2O2, \Ref: WESTBROOK ESTIMATE !\Comment: WARNING 

CH3CHOOCOCH3<=>C2H3COCH3+HO2                      +6.40000000E+025 -4.02000000E+000 +3.49139000E+004 !\Author: HL ANALOGY WITH CH3CH(OO)CHO<=>C2H3CHO+HO2, \Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: IC3H7O2<=>C3H6+HO2, HPL

!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C4H6-2
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C4H4
!\MECHCOMMENTS: THE C3H3+HCCO REACTION IS HARD TO FIND A LOCATION FOR. DOES THIS REACTION PROCEED THROUGH 1,3,4-PENTATRIENE-1-ONE? KPS HAS CHEMISTRY IN FURANS MECHANISM.
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
!C4H3-I+H<=>C4H4                                   +3.40000000E+043 -9.01000000E+000 +1.21200000E+004 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C2H+C2H3=C4H4                                     +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: SN \Ref !\Ref: WARNING !\Comment: WARNING 
!C4H4=C2H+C2H3         1E16 0.0 105000 ! COLKET 1986
!C4H4=C2H2+C2H2         3.4E13 0.0 77100!HIDAKA1996

C4H4=C2H2+C2H2                            4.10E+13        0.05    88290.0       !\Author: HL !\Ref: Zador J, JPCA 2017;121(22):4203-17. !\Comment: WARNING 
  PLOG/9.869E-04    1.13E+62      -14.55    111800.0/
  PLOG/9.869E-04    7.41E+88      -23.73    113700.0/                           ! fit btw. 600 and 2500 K with MAE of 1.5%, 4.6%
  PLOG/9.869E-03    4.22E+68      -16.04    121600.0/
  PLOG/9.869E-03    3.04E+43       -9.31    98770.0/                            ! fit btw. 600 and 2500 K with MAE of 1.2%, 2.7%
  PLOG/9.869E-02    6.18E+48      -10.91    101100.0/
  PLOG/9.869E-02    3.97E+59      -13.18    118300.0/                           ! fit btw. 600 and 2500 K with MAE of 2.0%, 3.4%
  PLOG/9.869E-01    1.33E+51      -10.54    115800.0/
  PLOG/9.869E-01    2.35E+41       -8.59    98480.0/                            ! fit btw. 600 and 2500 K with MAE of 2.9%, 7.3%
  PLOG/9.869E+00    1.51E+31       -5.44    94500.0/
  PLOG/9.869E+00    2.44E+40       -7.36    111000.0/                           ! fit btw. 600 and 2500 K with MAE of 2.6%, 7.5%
  PLOG/9.869E+01    3.27E+36       -6.15    112200.0/
  PLOG/9.869E+01    1.82E+17       -1.13    89130.0/                            ! fit btw. 600 and 2500 K with MAE of 1.5%, 3.4%

C4H4=C2H2+H2CC                            7.06E+24       -2.80    98850.0       !\Author: HL !\Ref: Zador J, JPCA 2017;121(22):4203-17. !\Comment: WARNING
  PLOG/9.869E-04    6.24E+64      -14.98    112600.0/
  PLOG/9.869E-04    4.38E+86      -22.60    112700.0/                           ! fit btw. 600 and 2500 K with MAE of 1.4%, 3.9%
  PLOG/9.869E-03    1.03E+71      -16.40    121900.0/
  PLOG/9.869E-03    1.46E+47      -10.04    99810.0/                            ! fit btw. 600 and 2500 K with MAE of 1.2%, 2.7%
  PLOG/9.869E-02    3.70E+52      -11.68    102200.0/
  PLOG/9.869E-02    7.96E+62      -13.84    118900.0/                           ! fit btw. 600 and 2500 K with MAE of 2.0%, 3.6%
  PLOG/9.869E-01    5.40E+46       -9.77    101200.0/
  PLOG/9.869E-01    1.36E+56      -11.73    117300.0/                           ! fit btw. 600 and 2500 K with MAE of 2.3%, 5.8%
  PLOG/9.869E+00    1.86E+48       -9.38    114500.0/
  PLOG/9.869E+00    3.36E+39       -7.53    100200.0/                           ! fit btw. 600 and 2500 K with MAE of 1.9%, 5.3%
  PLOG/9.869E+01    1.61E+42       -7.53    114600.0/
  PLOG/9.869E+01    1.31E+33       -5.72    98900.0/                            ! fit btw. 600 and 2500 K with MAE of 2.0%, 5.3%

C4H4=C4H3-I+H                            6.84E+19       -1.24    105000.0       !\Author: HL !\Ref: Zador J, JPCA 2017;121(22):4203-17. !\Comment: WARNING
  PLOG/9.869E-04    9.56E+56      -13.13    116300.0/
  PLOG/9.869E-04    8.10E+194      -56.74    163000.0/                          ! fit btw. 600 and 2500 K with MAE of 2.8%, 9.7%
  PLOG/9.869E-03    1.41E+65      -14.94    124900.0/
  PLOG/9.869E-03    2.19E+85      -21.94    125400.0/                           ! fit btw. 600 and 2500 K with MAE of 1.5%, 4.7%
  PLOG/9.869E-02    4.02E+69      -15.72    133600.0/
  PLOG/9.869E-02    3.48E+60      -13.79    119600.0/                           ! fit btw. 600 and 2500 K with MAE of 1.2%, 2.2%
  PLOG/9.869E-01    6.43E+63      -13.74    134300.0/
  PLOG/9.869E-01    8.27E+53      -11.77    117700.0/                           ! fit btw. 600 and 2500 K with MAE of 2.3%, 5.7%
  PLOG/9.869E+00    8.53E+52      -10.44    131200.0/
  PLOG/9.869E+00    4.61E+42       -8.37    113100.0/                           ! fit btw. 600 and 2500 K with MAE of 3.0%, 8.5%
  PLOG/9.869E+01    3.39E+49       -9.29    134800.0/
  PLOG/9.869E+01    4.06E+23       -2.48    105700.0/                           ! fit btw. 600 and 2500 K with MAE of 1.9%, 4.1%

C4H4=C4H2+H2                            1.71E+17       -0.65    100000.0        !\Author: HL !\Ref: Zador J, JPCA 2017;121(22):4203-17. !\Comment: WARNING
  PLOG/9.869E-04    5.89E+56      -13.27    111000.0/
  PLOG/9.869E-04    6.63E+158      -45.78    143100.0/                          ! fit btw. 600 and 2500 K with MAE of 2.7%, 9.8%
  PLOG/9.869E-03    1.79E+61      -14.05    119400.0/
  PLOG/9.869E-03    2.87E+79      -20.54    118000.0/                           ! fit btw. 600 and 2500 K with MAE of 1.7%, 5.5%
  PLOG/9.869E-02    2.37E+63      -14.18    127100.0/
  PLOG/9.869E-02    2.69E+53      -12.07    111900.0/                           ! fit btw. 600 and 2500 K with MAE of 1.3%, 2.3%
  PLOG/9.869E-01    1.51E+47      -10.04    110500.0/
  PLOG/9.869E-01    1.58E+57      -12.07    127400.0/                           ! fit btw. 600 and 2500 K with MAE of 2.4%, 5.6%
  PLOG/9.869E+00    3.11E+46       -8.81    123500.0/
  PLOG/9.869E+00    2.95E+37       -7.01    106900.0/                           ! fit btw. 600 and 2500 K with MAE of 2.8%, 7.9%
  PLOG/9.869E+01    1.50E+34       -5.23    117000.0/
  PLOG/9.869E+01    3.64E+26       -3.66    102500.0/                           ! fit btw. 600 and 2500 K with MAE of 2.0%, 5.9%

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C4H4+H<=>C4H3-N+H2                                +6.65000000E+005 +2.53000000E+000 +1.22400000E+004 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H4+OH<=>C4H3-N+H2O                              +3.10000000E+007 +2.00000000E+000 +3.43000000E+003 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H4+CH3=C4H3-N+CH4                               +4.88000000E+002 +2.94700000E+000 +1.51480000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
C4H4+CH3=C4H3-N+CH4                               +8.13000000E-005 +4.41700000E+000 +8.83600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
C4H4+CH3=>C5H6-L+H                                +1.24000000E+034 -6.47300000E+000 +1.46280000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +2.44000000E+058 -1.54330000E+001 +1.45200000E+004 /
PLOG /                           +1.00000000E-002 +8.47000000E+059 -1.54730000E+001 +1.74840000E+004 /
PLOG /                           +1.00000000E-001 +7.75000000E+060 -1.53310000E+001 +2.07120000E+004 /
PLOG /                           +1.00000000E+000 +1.63000000E+057 -1.38480000E+001 +2.17650000E+004 /
PLOG /                           +1.00000000E+001 +8.13000000E+047 -1.07740000E+001 +1.96880000E+004 /
PLOG /                           +1.00000000E+002 +1.24000000E+034 -6.47300000E+000 +1.46280000E+004 /
C4H4+H=C4H3-I+H2                                  +1.22000000E+003 +3.10000000E+000 +5.34400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
C4H4+H=C4H3-I+H2                                  +5.43000000E+013 +0.00000000E+000 +1.36760000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP


C4H4+OH<=>C4H3-I+H2O                              +1.55000000E+007 +2.00000000E+000 +4.30000000E+002 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 

C4H4+CH3<=>C4H3-I+CH4                             +5.00000000E+013 +0.00000000E+000 +1.98000000E+004 !\Author: !<KPS !\Ref: WARNING !\Comment: WARNING 

!C4H4+CH3<=>C4H3-I+CH4                             +2.50000000E+013 +0.00000000E+000 +1.98000000E+004 !\Author: HL A*0.5!<KPS !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONH
!___________________________________________________________________________________________________________ 
C3H3+CH2<=>C4H4+H                                 +5.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONO
!___________________________________________________________________________________________________________ 
C4H4+O<=>C3H3+HCO                                 +6.00000000E+008 +1.45000000E+000 -8.60000000E+002 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONOH
!___________________________________________________________________________________________________________ 
C4H4+OH<=>CH2O+C3H3                               +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C2H2+C2H(+M)<=>C4H3-N(+M)                         +8.30000000E+010 +8.99000000E-001 -3.63000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
LOW /                                             +1.24000000E+031 -4.71800000E+000 +1.87100000E+003 /
TROE /                           +1.00000000E+000 +1.00000000E+002 +5.61300000E+003 +1.33900000E+004 /
CO / +1.5000 / CO2 / +2.0000 / CH4 / +2.0000 / H2 / +2.0000 / C2H4 / +2.5000 / C2H2 / +2.5000 / C2H6 / +3.0000 / H2O / +6.0000 / 
C2H2+C2H(+M)<=>C4H3-I(+M)                         +8.30000000E+010 +8.99000000E-001 -3.63000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
LOW /                                             +1.24000000E+031 -4.71800000E+000 +1.87100000E+003 /
TROE /                           +1.00000000E+000 +1.00000000E+002 +5.61300000E+003 +1.33900000E+004 /
CO / +1.5000 / CH4 / +2.0000 / H2 / +2.0000 / CO2 / +2.0000 / C2H2 / +2.5000 / C2H4 / +2.5000 / C2H6 / +3.0000 / H2O / +6.0000 / 

!DONG 220324!C4H2+H<=>C4H3-N                                   +1.10000000E+042 -8.72000000E+000 +1.53000000E+004 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
!DONG 220324!C4H2+H<=>C4H3-I                                   +1.10000000E+030 -4.92000000E+000 +1.08000000E+004 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 

C4H2+H(+M)=C4H3-I(+M)    4.31E10   1.158 1752.9  ! KLIPP&MILLER 2005, JPCA, 19 (109),2005 !! KUKKADAPU1@LLNL.GOV
LOW /2.30E45 -8.095  2506.6 /
TROE /0.0748 1.0E-50 -4215.9 1.0E50 /
H2/2.0/ CO/2.0/ CO2/3.0/ H2O/5.0/
!!
C4H2+H=C4H3-N           1.10E+42   -8.720   15300 !! KLIPP&MILLER 2005, JPCA, 19 (109),2005 !! KUKKADAPU1@LLNL.GOV
PLOG/ 2.63E-02  1.44E+63 -1.57E+01 2.40E+04 / !!
PLOG/ 2.63E-02  4.17E+32 -6.49E+00 9.73E+03 / !!
PLOG/ 1.18E-01  1.89E+57 -1.36E+01 2.28E+04 / !!
PLOG/ 1.18E-01  1.61E+30 -5.61E+00 9.39E+03 / !!
PLOG/ 1.00E+00  7.31E+49 -1.10E+01 2.16E+04 / !!
PLOG/ 1.00E+00  3.47E+26 -4.33E+00 8.70E+03 / !!
PLOG/ 1.00E+01  1.91E+41 -8.18E+00 1.98E+04 / !!
PLOG/ 1.00E+01  1.05E+25 -3.79E+00 8.47E+03 / !!
PLOG/ 1.00E+02  5.86E+35 -6.33E+00 1.93E+04 / !!
PLOG/ 1.00E+02  5.53E+20 -2.32E+00 7.60E+03 / !!

C4H3-N<=>C4H3-I                                   +4.10000000E+043 -9.49000000E+000 +5.30000000E+004 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C4H3-N+H<=>C4H3-I+H                               +2.50000000E+020 -1.67000000E+000 +1.08000000E+004 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H3-N+H<=>C2H2+H2CC                              +6.30000000E+025 -3.34000000E+000 +1.00140000E+004 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H3-N+H<=>C4H4                                   +2.00000000E+047 -1.02600000E+001 +1.30700000E+004 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H3-N+H<=>C4H2+H2                                +3.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H3-N+OH<=>C4H2+H2O                              +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H3-N+C2H3<=>C3H3+C3H3                           +4.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H3+CH<=>C4H3-I+H                                +5.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H3-I+H<=>C2H2+H2CC                              +2.80000000E+023 -2.55000000E+000 +1.07800000E+004 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H3-I+H<=>C4H2+H2                                +6.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H3-I+OH<=>C4H2+H2O                              +4.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H3-I+O2<=>HCCO+CH2CO                            +7.86000000E+016 -1.80000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
C4H3-I+CH2<=>C3H4-A+C2H                           +2.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ZIEGLER ET AL. J. ANAL.APPLY.PYROLYSIS 73 212-230(2005) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: AROMATIC_GROWTH
!___________________________________________________________________________________________________________ 
C4H4+C2H<=>L-C6H4+H                               +1.20000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C4H3-N+C2H2<=>L-C6H4+H                            +2.50000000E+014 -5.60000000E-001 +1.06000000E+004 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C4H3-N+C2H2<=>C-C6H4+H                            +6.90000000E+046 -1.00100000E+001 +3.01000000E+004 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C4H3-N+C2H2<=>C6H5                                +9.60000000E+070 -1.77700000E+001 +3.13000000E+004 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C4H3-I+CH3<=>C5H6                                 +1.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ZIEGLER ET AL. J. ANAL.APPLY.PYROLYSIS 73 212-230(2005) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: MISCELLANEOUS
!___________________________________________________________________________________________________________ 
C3H3+HCCO<=>C4H4+CO                               +2.50000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C4H4
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C4H2
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
!DONG 220723 DUP!H2CC+C2H2(+M)<=>C4H4(+M)                          +3.50000000E+005 +2.05500000E+000 -2.40000000E+003 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
!DONG 220723 DUP!LOW /                                             +1.40000000E+060 -1.25990000E+001 +7.41700000E+003 /
!DONG 220723 DUP!TROE /                           +9.80000000E-001 +5.60000000E+001 +5.80000000E+002 +4.16400000E+003 /
!DONG 220723 DUP!CO / +1.5000 / CO2 / +2.0000 / H2 / +2.0000 / CH4 / +2.0000 / C2H4 / +3.0000 / C2H6 / +3.0000 / C2H2 / +3.0000 / H2O / +6.0000 / 

C2H+C2H=C4H2  1.8E13 0.0 0.0 !\Author: HL, Fournet 1999 TANG 1986

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONOH
!___________________________________________________________________________________________________________ 
C2H2+C2H<=>C4H2+H                                 +9.60000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C4H2+OH<=>H2C4O+H                                 +6.60000000E+012 +0.00000000E+000 -4.10000000E+002 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C4H2+OH<=>CO+C3H3                                 +2.58000000E+019 -2.44000000E+000 +3.03400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
H2C4O+H<=>C2H2+HCCO                               +5.00000000E+013 +0.00000000E+000 +3.00000000E+003 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
H2C4O+OH<=>CH2CO+HCCO                             +1.00000000E+007 +2.00000000E+000 +2.00000000E+003 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: AROMATIC_GROWTH
!___________________________________________________________________________________________________________ 
C4H2+C2H<=>C6H2+H                                 +9.60000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C4H2+C2H<=>C6H3                                   +4.50000000E+037 -7.68000000E+000 +7.10000000E+003 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C4H2
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: NC3H7CHO
!\MECHCOMMENTS: THIS SUBMECH IS COMPLETELY STAND-ALONE WITHIN THE C4 MODULE, THIS SPECIES IS NOT FORMED FROM ANY C4 /C5 INTERMEDIATES. MATTEO PELUCCHI ALDEHYDES MECHANISMS NEED TO BE INCORPORATED.
!\MECHCOMMENTS: NAMING SCHEMES FOR PELUCCHI ALDEHYDE CHEMISTRY MAY BE DIFFERENT IN HIS MECHANISM
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS/UNIMOLECULARDECOMPOSITION
!___________________________________________________________________________________________________________ 
NC3H7CHO<=>CH3+CH2CH2CHO                          +1.63000000E+024 -2.24600000E+000 +9.03693000E+004 !\Author: SD !\Ref: M. PELUCCHI,COMBUST. FLAME 162(2015) 265-286. !\Comment: WARNING 
!NC3H7CHO<=>C2H5+CH2CHO                            +7.56000000E+027 -3.50000000E+000 +8.14791000E+004 !\Author: WARNING !\Ref: M. PELUCCHI,COMBUST. FLAME 162(2015) 265-286. !\Comment: WARNING 
NC3H7CHO<=>C2H5+CH2CHO                            8.9600E+35	-5.60	9.0479E+04   !ERFIT OVER 300-1000K \Author: SD !\Ref: M. PELUCCHI,COMBUST. FLAME 162(2015) 265-286. !\Comment: WARNING 

NC3H7CHO<=>NC3H7+HCO                              +1.12000000E+028 -3.51000000E+000 +8.37575000E+004 !\Author: WARNING !\Ref: M. PELUCCHI,COMBUST. FLAME 162(2015) 265-286. !\Comment: WARNING 
NC3H7CHO<=>H+C3H6CHO-1                            +5.42000000E+015 -2.30000000E-001 +9.15293000E+004 !\Author: SD !\Ref: M. PELUCCHI,COMBUST. FLAME 162(2015) 265-286. !\Comment: WARNING 
NC3H7CHO<=>H+NC3H7CO                              +4.07000000E+017 -5.77800000E-001 +8.89950000E+004 !\Author: SD !\Ref: M. PELUCCHI,COMBUST. FLAME 162(2015) 265-286. !\Comment: WARNING 
NC3H7CHO<=>CO+C3H8                                +1.00000000E+014 +0.00000000E+000 +7.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7CHO<=>CH2CO+C2H6                             +1.00000000E+014 +0.00000000E+000 +7.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
NC3H7CHO+H<=>NC3H7CO+H2                           +8.46000000E+005 +2.30000000E+000 +1.54500000E+003 !\Author: SD !\Ref: J. MENDES, ET AL, J. PHYS. CHEM. A, 118(51)(2014), PP. 12089-12104 !\Comment: WARNING 
NC3H7CHO+H<=>C3H6CHO-1+H2                         +1.05000000E+005 +2.50000000E+000 +5.04100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7CHO+H<=>C3H6CHO-2+H2                         +1.30000000E+006 +2.40000000E+000 +4.47100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7CHO+H<=>C3H6CHO-3+H2                         +2.63000000E+005 +2.69000000E+000 +6.45000000E+003 !\Author: SD !\Ref: M. PELUCCHI,COMBUST. FLAME 162(2015) 265-286 !\Comment: WARNING 
NC3H7CHO+O<=>NC3H7CO+OH                           +5.80000000E+012 +0.00000000E+000 +1.80000000E+003 !\Author: SD !\Ref: ANALOGY WITH CH3CHO+O !\Comment: WARNING 
NC3H7CHO+O<=>C3H6CHO-1+OH                         +1.44400000E+011 +2.30000000E-001 +2.97000000E+003 !\Author: SD !\Ref: ZHANG ET AL. !\Comment: WARNING 
NC3H7CHO+O<=>C3H6CHO-2+OH                         +2.81000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7CHO+O<=>C3H6CHO-3+OH                         +3.71000000E+006 +2.40000000E+000 +5.50500000E+003 !\Author: SD !\Ref: ZHANG ET AL. !\Comment: WARNING 
NC3H7CHO+OH<=>NC3H7CO+H2O                         +3.73000000E+004 +2.60000000E+000 -2.30000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7CHO+OH<=>C3H6CHO-1+H2O                       +4.72000000E+002 +3.15000000E+000 -3.05004500E+003 !\Author: WARNING !\Ref: C.-W. ZHOU, PHYS. CHEM. CHEM. PHYS. 13(2011) 11175-11192. !\Comment: WARNING 
NC3H7CHO+OH<=>C3H6CHO-2+H2O                       +7.05500000E+009 +9.35000000E-001 +5.04700000E+002 !\Author: WARNING !\Ref: R. SIVARAMAKRISHNAN, J. V. MICHAEL, J. PHYS. CHEM. A, 113, 2009, 5047-5060 !\Comment: WARNING 
NC3H7CHO+OH<=>C3H6CHO-3+H2O                       +1.36600000E+007 +1.81300000E+000 +8.68400000E+002 !\Author: WARNING !\Ref: R. SIVARAMAKRISHNAN, J. V. MICHAEL, J. PHYS. CHEM. A, 113, 2009, 5047-5060 !\Comment: WARNING 
NC3H7CHO+CH3<=>NC3H7CO+CH4                        +2.99000000E+000 +3.60000000E+000 +4.33800000E+003 !\Author: SD !\Ref: J. MENDES, ET AL, J. PHYS. CHEM. A, 118(51)(2014), PP. 12089-12104 !\Comment: WARNING 
NC3H7CHO+CH3<=>C3H6CHO-1+CH4                      +6.16000000E-001 +3.60000000E+000 +6.58100000E+003 !\Author: SD !\Ref: J. MENDES, ET AL, J. PHYS. CHEM. A, 118(51)(2014), PP. 12089-12104 !\Comment: WARNING 
NC3H7CHO+CH3<=>C3H6CHO-2+CH4                      +1.51000000E+000 +3.46000000E+000 +5.48100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7CHO+CH3<=>C3H6CHO-3+CH4                      +1.05000000E-001 +4.00000000E+000 +9.25300000E+003 !\Author: SD !\Ref: J. MENDES, ET AL, J. PHYS. CHEM. A, 118(51)(2014), PP. 12089-12104 !\Comment: WARNING 
NC3H7CHO+HO2<=>NC3H7CO+H2O2                       +4.65000000E-005 +5.00000000E+000 +3.50400000E+003 !\Author: WARNING !\Ref: J. MENDES, ET AL, J. PHYS. CHEM. A, 118(51)(2014), PP. 12089-12104 !\Comment: WARNING 
NC3H7CHO+HO2<=>C3H6CHO-1+H2O2                     +7.74830000E+012 +0.00000000E+000 +1.82480000E+004 !\Author: WARNING !\Ref: ALTARAWNEH, MOHAMMEDNOOR, ET AL. JOURNAL OF COMPUTATIONAL CHEMISTRY 32.8(2011) !\Comment: WARNING 
NC3H7CHO+HO2<=>C3H6CHO-2+H2O2                     +7.87600000E+001 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: J. AGUILERA-IPARRAGUIRRE, H. J. CURRAN, W. KLOPPER, J. M. SIMMIE, J. PHYS. CHEM. A, 112, 2008, 7047-7054 !\Comment: WARNING 
NC3H7CHO+HO2<=>C3H6CHO-3+H2O2                     +1.04000000E+001 +3.59000000E+000 +1.56000000E+004 !\Author: WARNING !\Ref: 60% OF NEW RATE !\Comment: WARNING 
NC3H7CHO+O2<=>NC3H7CO+HO2                         +9.00000000E+012 +5.00000000E-001 +4.22000000E+004 !\Author: SD !\Ref: ANALOGY TO CH3CHO !\Comment: WARNING 
NC3H7CHO+O2<=>C3H6CHO-1+HO2                       +3.03000000E+013 +0.00000000E+000 +4.59000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7CHO+O2<=>C3H6CHO-2+HO2                       +2.00000000E+013 +0.00000000E+000 +4.98000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7CHO+O2<=>C3H6CHO-3+HO2                       +3.00000000E+013 +0.00000000E+000 +5.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7CHO+C2H5<=>NC3H7CO+C2H6                      +7.36000000E+004 +2.00000000E+000 +5.91709000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7CHO+C2H5<=>C3H6CHO-1+C2H6                    +3.00000000E+010 +0.00000000E+000 +8.60000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7CHO+C2H5<=>C3H6CHO-2+C2H6                    +5.00000000E+010 +0.00000000E+000 +1.04000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7CHO+C2H5<=>C3H6CHO-3+C2H6                    +1.00000000E+011 +0.00000000E+000 +1.04000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7CHO+CH3O<=>NC3H7CO+CH3OH                     +1.69000000E+005 +2.04380000E+000 +2.35320000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
NC3H7CHO+CH3O<=>NC3H7CO+CH3OH                     +9.62000000E+003 +2.50050000E+000 +1.58950000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
NC3H7CHO+CH3O<=>C3H6CHO-1+CH3OH                   +8.64000000E+011 +0.00000000E+000 +4.57000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7CHO+CH3O<=>C3H6CHO-2+CH3OH                   +3.00000000E+011 +0.00000000E+000 +7.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7CHO+CH3O<=>C3H6CHO-3+CH3OH                   +1.50000000E+011 +0.00000000E+000 +7.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7CHO+CH3O2<=>NC3H7CO+CH3O2H                   +3.21790000E-001 +3.94470000E+000 +9.50310000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
NC3H7CHO+CH3O2<=>NC3H7CO+CH3O2H                   +4.99000000E-006 +4.97560000E+000 +5.26820000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
NC3H7CHO+CH3O2<=>C3H6CHO-1+CH3O2H                 +5.16000000E+012 +5.00000000E-002 +1.79000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7CHO+CH3O2<=>C3H6CHO-2+CH3O2H                 +1.01800000E+001 +3.58000000E+000 +1.48100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7CHO+CH3O2<=>C3H6CHO-3+CH3O2H                 +6.93000000E-001 +3.97000000E+000 +1.83000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7CHO+C2H5O<=>NC3H7CO+C2H5OH                   +1.69000000E+005 +2.04380000E+000 +2.35320000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
NC3H7CHO+C2H5O<=>NC3H7CO+C2H5OH                   +9.62000000E+003 +2.50050000E+000 +1.58950000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
NC3H7CHO+C2H5O<=>C3H6CHO-1+C2H5OH                 +8.64000000E+011 +0.00000000E+000 +4.57000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7CHO+C2H5O<=>C3H6CHO-2+C2H5OH                 +3.00000000E+011 +0.00000000E+000 +7.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7CHO+C2H5O<=>C3H6CHO-3+C2H5OH                 +1.50000000E+011 +0.00000000E+000 +7.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7CHO+C2H5O2<=>NC3H7CO+C2H5O2H                 +3.21790000E-001 +3.94470000E+000 +9.50310000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
NC3H7CHO+C2H5O2<=>NC3H7CO+C2H5O2H                 +4.99000000E-006 +4.97560000E+000 +5.26820000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
NC3H7CHO+C2H5O2<=>C3H6CHO-2+C2H5O2H               +6.32000000E+001 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7CHO+CH3CO3<=>NC3H7CO+CH3CO3H                 +1.91580000E+000 +3.64260000E+000 +5.64190000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
NC3H7CHO+CH3CO3<=>NC3H7CO+CH3CO3H                 +9.81000000E-004 +4.32010000E+000 +2.63610000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
NC3H7CHO+C2H5CO3<=>NC3H7CO+C2H5CO3H               +1.91580000E+000 +3.64260000E+000 +5.64190000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
NC3H7CHO+C2H5CO3<=>NC3H7CO+C2H5CO3H               +9.81000000E-004 +4.32010000E+000 +2.63610000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
NC3H7CHO+C2H3<=>NC3H7CO+C2H4                      +1.70000000E+012 +0.00000000E+000 +8.44000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH ACETALDEHYDE !\Comment: WARNING 
NC3H7CHO+C2H3<=>C3H6CHO-1+C2H4                    +4.50000000E+010 +0.00000000E+000 +5.60000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7CHO+C2H3<=>C3H6CHO-2+C2H4                    +4.00000000E+011 +0.00000000E+000 +1.68000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7CHO+NC3H7<=>NC3H7CO+C3H8                     +1.70000000E+012 +0.00000000E+000 +8.44000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH ACETALDEHYDE !\Comment: WARNING 
NC3H7CHO+IC3H7<=>NC3H7CO+C3H8                     +1.70000000E+012 +0.00000000E+000 +8.44000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH ACETALDEHYDE !\Comment: WARNING 
NC3H7CHO+C3H5-A<=>NC3H7CO+C3H6                    +1.70000000E+012 +0.00000000E+000 +8.44000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH ACETALDEHYDE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_DECOMPOSITION
!___________________________________________________________________________________________________________ 
NC3H7CO<=>NC3H7+CO                                +5.78000000E+014 +0.00000000E+000 +1.68435100E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H5+CH2CO<=>NC3H7CO                              +3.33000000E+002 +2.73000000E+000 +1.39538900E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 211230!CH3+C2H3CHO<=>C3H6CHO-1                           +1.76000000E+004 +2.48000000E+000 +6.13000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

C3H6CHO-1<=>C2H3CHO+CH3                                +3.32412168E+027 -3.80442204E+000 +4.74978973E+004 !C5H91-3<=>C4H6+CH3\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.19785116E+070 -1.75086009E+001 +6.02034408E+004 /
PLOG /                           +1.00000000E-001 +1.05806977E+065 -1.56256154E+001 +6.03772419E+004 /
PLOG /                           +1.00000000E+000 +7.97696504E+055 -1.25952424E+001 +5.83744948E+004 /
PLOG /                           +1.00000000E+001 +4.67282037E+043 -8.72898395E+000 +5.43044152E+004 /
PLOG /                           +1.00000000E+002 +3.32412168E+027 -3.80442204E+000 +4.74978973E+004 /

C3H6CHO-1<=>C2H5CHCO+H                            +1.31000000E+045 -9.08000000E+000 +6.70800000E+004 !\Author: WARNING !\Ref: ZADOR AND MILLER, PROCEEDINGS OF THE COMBUSTION INSTITUTE 35(2015) 181-188 !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +1.14000000E+054 -1.37400000E+001 +6.12300000E+004 /
PLOG /                           +9.86900000E-004 +9.50000000E+040 -1.01800000E+001 +5.29900000E+004 /
PLOG /                           +9.86900000E-003 +9.85000000E+055 -1.38200000E+001 +6.30400000E+004 /
PLOG /                           +9.86900000E-003 +1.00000000E+042 -1.00700000E+001 +5.38800000E+004 /
PLOG /                           +9.86900000E-002 +1.15000000E+058 -1.40300000E+001 +6.53700000E+004 /
PLOG /                           +9.86900000E-002 +7.92000000E+035 -7.68000000E+000 +5.31800000E+004 /
PLOG /                           +9.86900000E-001 +3.42000000E+055 -1.28500000E+001 +6.63700000E+004 /
PLOG /                           +9.86900000E-001 +1.10000000E+032 -6.22000000E+000 +5.27300000E+004 /
PLOG /                           +9.86900000E+000 +1.87000000E+050 -1.08900000E+001 +6.66800000E+004 /
PLOG /                           +9.86900000E+000 +3.68000000E+029 -5.31000000E+000 +5.24300000E+004 /
PLOG /                           +9.86900000E+001 +1.31000000E+045 -9.08000000E+000 +6.70800000E+004 /
PLOG /                           +9.86900000E+001 +4.87000000E+023 -3.29000000E+000 +5.12300000E+004 /
C3H6CHO-3<=>CH2CHO+C2H4                           +7.40000000E+011 +0.00000000E+000 +2.19700000E+004 !\Author: SD !\Ref: VELOO, PETER S., ET AL. COMBUSTION AND FLAME 160.9(2013) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ISOMERIZATIONS
!___________________________________________________________________________________________________________ 
!DONG 220105!C3H6CHO-3<=>NC3H7CO                               +7.73000000E+011 +0.00000000E+000 +1.54644000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 220105!C3H6CHO-2<=>NC3H7CO                               +3.80000000E+010 +6.70000000E-001 +3.21000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 220105!C3H6CHO-1<=>NC3H7CO                               +3.56000000E+010 +8.80000000E-001 +3.73000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>RO2
!___________________________________________________________________________________________________________ 
C3H6CHO-1+O2<=>C3H6CHO-1O2                        +6.02200000E+023 -3.14400000E+000 +5.22971800E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6CHO-1+O2=>C2H5CHO+CO+OH                       +1.79100000E+014 -6.00000000E-001 +1.01200000E+004 !\Author: WARNING !\Ref: J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107(19), 3778-3791 !\Comment: WARNING 
C3H6CHO-2+O2<=>C3H6CHO-2O2                        +3.48700000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: MIYOSHI !\Comment: WARNING 
C3H6CHO-3+O2<=>C3H6CHO-3O2                        +6.86500000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: MIYOSHI !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>QOOH
!___________________________________________________________________________________________________________ 
C3H6CHO-1O2<=>C3H6COQ1                            +3.32900000E+004 +1.55500000E+000 +1.32711960E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6CHO-1O2<=>C3H5CHOQ1-3                         +1.43900000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: SHARMA !\Comment: A FACTOR REVALUED 20140425 KWZ 4.795E+006 1.400 20800.0 
C3H6CHO-2O2<=>C3H6COQ2                            +2.86000000E+016 -1.67000000E+000 +1.22100000E+004 !\Author: WARNING !\Ref: J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107(19), 3778-3791 !\Comment: WARNING 
C3H6CHO-2O2<=>C3H5CHOQ2-1                         +1.71600000E+009 +9.00000000E-001 +2.45000000E+004 !\Author: WARNING !\Ref: SHARMA !\Comment: A FACTOR REVALUED 20140425 KWZ 8.580E+008 0.900 29500.0 
C3H6CHO-3O2<=>C3H6COQ3                            +4.11100000E+005 +1.50000000E+000 +8.00000000E+003 !\Author: WARNING !\Ref: SHARMA !\Comment: A FACTOR REVALUED 20140425 KWZ 4.111E+005 1.500 20000.0 
C3H6CHO-3O2<=>C3H5CHOQ3-1                         +1.36000000E+007 +1.30000000E+000 +1.32000000E+004 !\Author: WARNING !\Ref: SHARMA !\Comment: A FACTOR REVALUED 20140425 KWZ 6.798E+006 1.300 18200.0 
C3H6CHO-3O2<=>C3H5CHOQ3-2                         +4.00900000E+008 +1.10000000E+000 +3.01000000E+004 !\Author: WARNING !\Ref: SHARMA !\Comment: A FACTOR REVALUED 20140425 KWZ 2.005E+008 1.100 30100.0 
C3H6COQ1=>C2H5CHO+OH+CO                           +1.49400000E+013 +1.53000000E-001 +1.01432140E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6COQ2<=>C3H6OOH2-1+CO                          +5.78000000E+014 +0.00000000E+000 +1.68435100E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6COQ3<=>C3H6OOH1-3+CO                          +5.78000000E+014 +0.00000000E+000 +1.68435100E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>ALKENE_HO2
!___________________________________________________________________________________________________________ 
C3H6CHO-1O2<=>C2H5CHCO+HO2                        +3.36000000E+061 -1.60400000E+001 +6.00100000E+004 !\Author: WARNING !\Ref: J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107(19), 3778-3791 !\Comment: WARNING 
C3H6CHO-2O2<=>SC3H5CHO+HO2                        +6.16800000E+009 +1.01000000E+000 +2.73620000E+004 !\Author: WARNING !\Ref: VILLANO !\Comment: WARNING 
C3H6CHO-3O2<=>AC3H5CHO+HO2                        +1.25800000E+008 +1.38000000E+000 +2.89000000E+004 !\Author: WARNING !\Ref: VILLANO !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH<=>ALKENE_HO2
!___________________________________________________________________________________________________________ 
C3H6COQ1<=>C2H5CHCO+HO2                           +2.45200000E+014 -6.79000000E-001 +2.42079710E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H5CHOQ2-1<=>C2H5CHCO+HO2                        +2.88000000E+011 +4.60000000E-001 +1.72000000E+004 !\Author: WARNING !\Ref: S.M. VILLANO !\Comment: WARNING 
C3H5CHOQ3-2<=>AC3H5CHO+HO2                        +5.63000000E+009 +9.70000000E-001 +1.50000000E+004 !\Author: WARNING !\Ref: S.M. VILLANO !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH<=>CYCETH+OH
!___________________________________________________________________________________________________________ 
C3H5CHOQ1-3<=>CYC3H5OCHO+OH                       +2.44000000E+009 +7.80000000E-001 +1.80000000E+004 !\Author: WARNING !\Ref: VILLANO(FROM KUIWEN'S MECH) !\Comment: WARNING 
C3H5CHOQ2-1<=>CH3CYC2H2OCHO+OH                    +1.05000000E+010 +6.80000000E-001 +1.69640000E+004 !\Author: WARNING !\Ref: JUDIT ZADOR,STEPHEN J. KLIPPENSTEIN,AND JAMES A. MILLER J. PHYS. CHEM. A 2011, 115, 10218 C10225 !\Comment: WARNING 
C3H5CHOQ3-1<=>CYC3H5OCHO+OH                       +2.59000000E+009 +6.90000000E-001 +2.10000000E+004 !\Author: WARNING !\Ref: VILLANO(FROM KUIWEN'S MECH) !\Comment: WARNING 
C3H5CHOQ3-2<=>CYC2H3OCH2CHO+OH                    +1.71000000E+009 +1.06000000E+000 +1.09000000E+004 !\Author: WARNING !\Ref: VILLANO(FROM KUIWEN'S MECH) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: CYCETH_DECOMPOSITION
!___________________________________________________________________________________________________________ 
CH3CYC2H2OCHO+OH=>H2O+CH3CHCO+HCO                 +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
CYC3H5OCHO+OH=>H2O+C2H4+CO+HCO                    +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
CYC2H3OCH2CHO+OH=>H2O+CH2CO+CH2CHO                +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
CH3CYC2H2OCHO+HO2=>H2O2+CH3CHCO+HCO               +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
CYC3H5OCHO+HO2=>H2O2+C2H4+CO+HCO                  +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
CYC2H3OCH2CHO+HO2=>H2O2+CH2CO+CH2CHO              +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH+O2<=>O2QOOH
!___________________________________________________________________________________________________________ 
C3H5CHOQ1-3+O2<=>C3H5CHOQ1-3O2                    +3.43300000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: MIYOSHI A / 2 COMPARED TO R+O2 080415A !\Comment: WARNING 
C3H5CHOQ2-1+O2<=>C3H5CHOQ2-1O2                    +3.05000000E+050 -1.22000000E+001 +1.56300000E+004 !\Author: WARNING !\Ref: J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107(19), 3778-3791 !\Comment: WARNING 
C3H5CHOQ3-1+O2<=>C3H5CHOQ3-1O2                    +3.05000000E+050 -1.22000000E+001 +1.56300000E+004 !\Author: WARNING !\Ref: J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107(19), 3778-3791 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: O2QOOH<=>KHP+OH/KHP_DECOMPOSITION
!___________________________________________________________________________________________________________ 
C3H5CHOQ1-3O2<=>C2H4COCHOQ3+OH                    +5.78600000E+001 +2.90000000E+000 +1.70000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C2H4COCHOQ3=>CH3CHO+CO+HCO+OH                     +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H5CHOQ2-1O2<=>CH3COCHCHOQ1+OH                   +1.74800000E+008 +1.70000000E+000 +2.60000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
CH3COCHCHOQ1=>CH3CO+CHOCHO+OH                     +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H5CHOQ3-1O2<=>CHOCH2CHCHOQ1+OH                  +1.09800000E+004 +2.40000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
CHOCH2CHCHOQ1=>CHOCHO+CH2CHO+OH                   +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!===========================================================================================================
!\SUBSPECIES: C2H5CHCO
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONMISC
!___________________________________________________________________________________________________________ 
C2H5CHCO+OH<=>NC3H7+CO2                           +3.73000000E+012 +0.00000000E+000 -1.01000000E+003 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
C2H5CHCO+H<=>NC3H7+CO                             +4.40000000E+012 +0.00000000E+000 +1.45900000E+003 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
C2H5CHCO+O<=>C3H6+CO2                             +3.20000000E+012 +0.00000000E+000 -4.37000000E+002 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 

!DONG 0923
C2H5CHCO+OH<=>SC3H5CO+H2O                         +2.02000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: SD !\Ref: WARNING !\Comment: C5H10-2+OH<=>C5H92-4+H2O
C2H5CHCO+HO2<=>SC3H5CO+H2O2                       +7.82000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: SD !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
SC3H5CO+HO2<=>CH3CHOOHCHCO                        +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: SD !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: 100 ATM
CH3CHOOHCHCO<=>CH3CHOCHCO+OH                      +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: SD !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
CH3CHOCHCO<=>CH3CHO+HCCO                          +8.52000000E+025 -3.61000000E+000 +2.38634000E+004 !\Author: SD !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325-3346 !\COMMENT: C5H9O2-4<=>CH3CHO+C3H5-S
CH3CHOCHCO<=>OVCCVCVO+CH3                         +4.38000000E+016 -8.90000000E-001 +1.65300000E+004 !\Author: SD !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: C5H9O2-4<=>SC3H5CHO+CH3

OVCCVCVO+O2=>HCCO+CO+HO2                               9.00E+13    0.000   44704 !WAGNON1@LLNL.GOV! A=DEG*9E+13, E=DH298+2RT, T=1000K
OVCCVCVO+H=>HCCO+CO+H2                                 1.34E+13    0.000    3300 !WAGNON1@LLNL.GOV! AS C2H3HO+H=C2H3CO+H2 ARAMCO2.0
OVCCVCVO+O=>HCCO+CO+OH                                 5.94E+12    0.000    1868 !WAGNON1@LLNL.GOV! AS C2H3HO+O=C2H3CO+OH ARAMCO2.0
OVCCVCVO+OH=>HCCO+CO+H2O                               9.24E+06    1.500    -962 !WAGNON1@LLNL.GOV! AS C2H3HO+OH=C2H3CO+H2O ARAMCO2.0
OVCCVCVO+HO2=>HCCO+CO+H2O2                             3.01E+12    0.000   11920 !WAGNON1@LLNL.GOV! AS C2H3HO+HO2=C2H3CO+H2O2 ARAMCO2.0
OVCCVCVO+CH3=>HCCO+CO+CH4                              2.61E+06    1.780    5911 !WAGNON1@LLNL.GOV! AS C2H3HO+CH3=C2H3CO+CH4 ARAMCO2.0
OVCCVCVO+CH3O2=>HCCO+CO+CH3O2H                         1.50E+12    0.000   11920 !WAGNON1@LLNL.GOV! A/2 AS OVCCVCVO+HO2=>HCCO+CO+H2O2
!===========================================================================================================
!\ENDSUBSPECIES: C2H5CHCO
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: SC3H5CHO
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
SC3H5CHO<=>C3H6+CO                                +3.90000000E+014 +0.00000000E+000 +6.90000000E+004 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
SC3H5CO+H<=>SC3H5CHO                              +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
CH2CHCHCHO+H<=>SC3H5CHO                           +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: PITZ ESTIMATE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
SC3H5CHO+OH<=>SC3H5CO+H2O                         +3.73000000E+004 +2.60000000E+000 -2.30000000E+003 !\Author: WARNING !\Ref: BILL ADDED !\Comment: WARNING 
SC3H5CHO+HO2<=>SC3H5CO+H2O2                       +1.00000000E+012 +0.00000000E+000 +1.19200000E+004 !\Author: WARNING !\Ref: ANALOGY WITH IC3H5CHO+X -->IC3H5CO+HX !\Comment: WARNING 
SC3H5CHO+CH3<=>SC3H5CO+CH4                        +3.98000000E+012 +0.00000000E+000 +8.70000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH IC3H5CHO+X -->IC3H5CO+HX !\Comment: WARNING 
SC3H5CHO+O<=>SC3H5CO+OH                           +7.18000000E+012 +0.00000000E+000 +1.38900000E+003 !\Author: WARNING !\Ref: ANALOGY WITH IC3H5CHO+X -->IC3H5CO+HX !\Comment: WARNING 
SC3H5CHO+O2<=>SC3H5CO+HO2                         +4.00000000E+013 +0.00000000E+000 +3.76000000E+004 !\Author: WARNING !\Ref: ANALOGY WITH IC3H5CHO+X -->IC3H5CO+HX !\Comment: WARNING 
SC3H5CHO+H<=>SC3H5CO+H2                           +2.60000000E+012 +0.00000000E+000 +2.60000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH IC3H5CHO+X -->IC3H5CO+HX !\Comment: WARNING 
SC3H5CHO+C2H3<=>SC3H5CO+C2H4                      +1.11000000E+000 +3.50000000E+000 +4.68200000E+003 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
SC3H5CHO+H<=>CH2CHCHCHO+H2                        +1.70000000E+005 +2.50000000E+000 +2.49000000E+003 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
SC3H5CHO+O<=>CH2CHCHCHO+OH                        +5.24000000E+011 +7.00000000E-001 +5.88400000E+003 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
SC3H5CHO+OH<=>CH2CHCHCHO+H2O                      +4.46000000E+006 +2.07200000E+000 +1.05100000E+003 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
SC3H5CHO+CH3<=>CH2CHCHCHO+CH4                     +2.10000000E+000 +3.50000000E+000 +5.67500000E+003 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
SC3H5CHO+C2H3<=>CH2CHCHCHO+C2H4                   +2.21000000E+000 +3.50000000E+000 +4.68200000E+003 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONH
!___________________________________________________________________________________________________________ 
SC3H5CHO+H<=>CH3+C2H3CHO                          +4.00000000E+021 -2.39000000E+000 +1.11800000E+004 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
SC3H5CHO+H<=>C3H6+HCO                             +4.00000000E+021 -2.39000000E+000 +1.11800000E+004 !\Author: WARNING !\Ref: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C3H5-S+CO<=>SC3H5CO                               +5.00000000E+012 +0.00000000E+000 +8.00000000E+003 !\Author: WARNING !\Ref: PITZ ESTIMATE !\Comment: WARNING 
!DONG 211116!CH2CHCHCHO<=>C3H5-A+CO                            +6.10000000E+005 +9.20000000E-001 -1.12000000E+003 !\Author: WARNING !\Ref: ALZUETA & GLARBORG IJCK 32 !\Comment: SPECIES HAS BEEN RENAMED 
CH2CHCHCHO+O2<=>C2H3CHO+HOCO                      +1.20000000E+036 -7.25000000E+000 +3.36000000E+004 !\Author: WARNING !\Ref: ALZUETA & GLARBORG IJCK 32 !\Comment: SPECIES HAS BEEN RENAMED 

!DONG 211228!CH2CHCHCHO<=>FURAN+H                               2.0570E27 -4.1715 48788  !\Author: SD !\Ref: Porfiriev, Denis P., ET AL. Physical Chemistry Chemical Physics (2021). !\Comment: WARNING 
!DONG 211228!
!DONG 211228!FURAN+H=C4H5O-3               2.60E13    0.000   1560.0   !as C4H6Z2+R1H=C4H7Y
!DONG 211228!C4H5O-3=CH2CHCHCHO               1.05E13   0.085   22555.0  !CBSQ-B3 high pressure!
FURAN+OH=C2H3CHO+HCO        2.74E12    0.000  -1040.0   !Table A-I-5

C4H5O-3=>FURAN+H                    2.4E11 0.7632 28420.0
FURAN+H=>C4H5O-3                    7.8E08 1.434 4420.0

CH2CHCHCHO=>C4H5O-3                 5.2E11 0.091 23960.0
C4H5O-3=>CH2CHCHCHO                 5.8E12 0.15 19050.0

!DONG 211228!CH2CHCHCHO=CHCHCHCHOH            2.20E11   0.435   35127.0  !CBSQ-B3 high pressure!
CH2CHCHCHO=CO+CC3H5              4.85E12   0.261   47443.0  !CBSQ-B3 high pressure!
CH2CHCHCHO=SC3H5CO               1.81E09   0.985   28846.0  !CBSQ-B3 high pressure!                           
!SC3H5CO=CO+C3H5-S                1.43E15   0.115   26627.0  !CBSQ-B3 high pressure!                           
!DONG 211228!CHCHCHCHOH=C2H2+CH2CHO           1.20E15   0.102   48750.0  !CBSQ-B3 high pressure!

CH2CHCHCHO+HO2<=>C4H61KET43                  +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: SD !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.91000000E+031 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +6.31000000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +1.03000000E+045 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +2.79000000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 /
CH2CHCHCHO+HO2<=>C4H61KET43O+OH                 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: SD !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /

!===========================================================================================================
!\ENDSUBSPECIES: SC3H5CHO
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: C2H3COCH3
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONMISC
!___________________________________________________________________________________________________________ 
C2H3COCH3+OH<=>CH3CHO+CH3CO                       +1.00000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
C2H3COCH3+OH=>CH2CO+C2H3+H2O                      +5.10000000E+011 +0.00000000E+000 +1.19200000E+003 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
C2H3COCH3+HO2=>CH2CHO+CH3CO+OH                    +6.03000000E+009 +0.00000000E+000 +7.94900000E+003 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
C2H3COCH3+HO2=>CH2CO+C2H3+H2O2                    +8.50000000E+012 +0.00000000E+000 +2.04600000E+004 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
C2H3COCH3+CH3O2=>CH2CHO+CH3CO+CH3O                +3.97000000E+011 +0.00000000E+000 +1.70500000E+004 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
C2H3COCH3+CH3O2=>CH2CO+C2H3+CH3O2H                +3.01000000E+012 +0.00000000E+000 +1.75800000E+004 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: C2H3COCH3
!===========================================================================================================
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: NC3H7CHO
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C2H5COCH3
!\MECHCOMMENTS: KPS, 22 / 07 / 2015 THIS SUBMECH IS COMPLETELY STAND-ALONE WITHIN THE C4 MODULE, THIS SPECIES IS NOT FORMED FROM ANY C4 INTERMEDIATES. IS THERE ANY REQUIREMENT TO HAVE IT IN?
!\MECHCOMMENTS: KPS HAS MORE DETAILED CHEMISTRY FOR C2H3COCH3(METHYL VINYL KETONE) IN HIS FURANS MECHANISMS.
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C2H5COCH3+OH<=>CH2CH2COCH3+H2O                    +7.55000000E+009 +9.70000000E-001 +1.58600000E+003 !\Author: WARNING !\Ref: ANALOGY TO C2H5OH+X<=>PC2H4OH+HX; CURRAN 1995 !\Comment: WARNING 
C2H5COCH3+HO2<=>CH2CH2COCH3+H2O2                  +2.38000000E+004 +2.55000000E+000 +1.64900000E+004 !\Author: WARNING !\Ref: ANALOGY TO C3H8+X<=>PC3H7+HX X 0.5 TSANG 88; CURRAN 1995 !\Comment: WARNING 
C2H5COCH3+O<=>CH2CH2COCH3+OH                      +2.25000000E+013 +0.00000000E+000 +7.70000000E+003 !\Author: WARNING !\Ref: ANALOGY TO C2H5OH+X<=>PC2H4OH+HX; CURRAN 1995 !\Comment: WARNING 
C2H5COCH3+H<=>CH2CH2COCH3+H2                      +9.16000000E+006 +2.00000000E+000 +7.70000000E+003 !\Author: WARNING !\Ref: ANALOGY TO C2H5OH+X<=>PC2H4OH+HX; CURRAN 1995 !\Comment: WARNING 
C2H5COCH3+O2<=>CH2CH2COCH3+HO2                    +2.05000000E+013 +0.00000000E+000 +5.13100000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H5OH+X<=>PC2H4OH+HX; CURRAN 1995 !\Comment: WARNING 
C2H5COCH3+CH3<=>CH2CH2COCH3+CH4                   +3.19000000E+001 +3.17000000E+000 +7.17200000E+003 !\Author: WARNING !\Ref: ANALOGY TO C2H5OH+X<=>PC2H4OH+HX; CURRAN 1995 !\Comment: WARNING 
C2H5COCH3+CH3O<=>CH2CH2COCH3+CH3OH                +2.17000000E+011 +0.00000000E+000 +6.46000000E+003 !\Author: WARNING !\Ref: ANALOGY TO C3H8+X<=>PC3H7+HX X 0.5 TSANG 88; CURRAN 1995 !\Comment: WARNING 
C2H5COCH3+CH3O2<=>CH2CH2COCH3+CH3O2H              +3.01000000E+012 +0.00000000E+000 +1.93800000E+004 !\Author: WARNING !\Ref: ANALOGY TO C3H8+X<=>PC3H7+HX X 0.5 TSANG 88; CURRAN 1995 !\Comment: WARNING 
C2H5COCH3+C2H3<=>CH2CH2COCH3+C2H4                 +5.00000000E+011 +0.00000000E+000 +1.04000000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H5OH+X<=>PC2H4OH+HX; CURRAN 1995 !\Comment: WARNING 
C2H5COCH3+C2H5<=>CH2CH2COCH3+C2H6                 +5.00000000E+010 +0.00000000E+000 +1.34000000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H5OH+X<=>PC2H4OH+HX; CURRAN 1995 !\Comment: WARNING 
C2H5COCH3+OH<=>CH3CHCOCH3+H2O                     +8.45000000E+011 +0.00000000E+000 -2.28000000E+002 !\Author: WARNING !\Ref: ANALOGY TO C2H5COC2H5+OH<=>PRODUCTS; CURRAN 1995 !\Comment: WARNING 
C2H5COCH3+HO2<=>CH3CHCOCH3+H2O2                   +2.00000000E+011 +0.00000000E+000 +8.69800000E+003 !\Author: WARNING !\Ref: ANALOGY TO C3H8+X<=>C3H7+HX TSANG 88 EA -(6 X 0.3) KCAL / MOL(C<=>O); CURRAN 1995 !\Comment: WARNING 
C2H5COCH3+O<=>CH3CHCOCH3+OH                       +3.07000000E+013 +0.00000000E+000 +3.40000000E+003 !\Author: WARNING !\Ref: ANALOGY TO C2H5OH+X<=>SC2H4OH+HX EA -(6 X 0.3) KCAL / MOL(C<=>O); CURRAN 1995 !\Comment: WARNING 
C2H5COCH3+H<=>CH3CHCOCH3+H2                       +4.46000000E+006 +2.00000000E+000 +3.20000000E+003 !\Author: WARNING !\Ref: ANALOGY TO C3H8+X<=>C3H7+HX TSANG 88 EA -(6 X 0.3) KCAL / MOL(C<=>O); CURRAN 1995 !\Comment: WARNING 
C2H5COCH3+O2<=>CH3CHCOCH3+HO2                     +1.55000000E+013 +0.00000000E+000 +4.19700000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H5OH+X<=>SC2H4OH+HX EA -(6 X 0.3) KCAL / MOL(C<=>O); CURRAN 1995 !\Comment: WARNING 
C2H5COCH3+CH3<=>CH3CHCOCH3+CH4                    +1.74000000E+000 +3.46000000E+000 +3.68000000E+003 !\Author: WARNING !\Ref: ANALOGY TO C2H5OH+X<=>SC2H4OH+HX EA -(6 X 0.3) KCAL / MOL(C<=>O); CURRAN 1995 !\Comment: WARNING 
C2H5COCH3+CH3O<=>CH3CHCOCH3+CH3OH                 +1.45000000E+011 +0.00000000E+000 +2.77100000E+003 !\Author: WARNING !\Ref: ANALOGY TO C3H8+X<=>C3H7+HX TSANG 88 EA -(6 X 0.3) KCAL / MOL(C<=>O); CURRAN 1995 !\Comment: WARNING 
C2H5COCH3+CH3O2<=>CH3CHCOCH3+CH3O2H               +2.00000000E+012 +0.00000000E+000 +1.52500000E+004 !\Author: WARNING !\Ref: ANALOGY TO C3H8+X<=>C3H7+HX TSANG 88 EA -(6 X 0.3) KCAL / MOL(C<=>O); CURRAN 1995 !\Comment: WARNING 
C2H5COCH3+C2H3<=>CH3CHCOCH3+C2H4                  +3.00000000E+011 +0.00000000E+000 +3.40000000E+003 !\Author: WARNING !\Ref: ANALOGY TO C2H5OH+X<=>SC2H4OH+HX EA -(6 X 0.3) KCAL / MOL(C<=>O); CURRAN 1995 !\Comment: WARNING 
C2H5COCH3+C2H5<=>CH3CHCOCH3+C2H6                  +3.00000000E+010 +0.00000000E+000 +8.60000000E+003 !\Author: WARNING !\Ref: ANALOGY TO C2H5OH+X<=>SC2H4OH+HX EA -(6 X 0.3) KCAL / MOL(C<=>O); CURRAN 1995 !\Comment: WARNING 
C2H5COCH3+OH<=>C2H5COCH2+H2O                      +5.10000000E+011 +0.00000000E+000 +1.19200000E+003 !\Author: WARNING !\Ref: ANALOGY TO CH3COCH3+X<=>CH2COCH3+HX X 0.5; CURRAN 1995 !\Comment: WARNING 
C2H5COCH3+HO2<=>C2H5COCH2+H2O2                    +2.38000000E+004 +2.55000000E+000 +1.46900000E+004 !\Author: WARNING !\Ref: ANALOGY TO C3H8+X<=>C3H7+HX TSANG 88 EA -(6 X 0.3) KCAL / MOL(C<=>O); CURRAN 1995 !\Comment: WARNING 
C2H5COCH3+O<=>C2H5COCH2+OH                        +5.00000000E+012 +0.00000000E+000 +5.96200000E+003 !\Author: WARNING !\Ref: ANALOGY TO CH3COCH3+X<=>CH2COCH3+HX X 0.5; CURRAN 1995 !\Comment: WARNING 
C2H5COCH3+H<=>C2H5COCH2+H2                        +9.30000000E+012 +0.00000000E+000 +6.35700000E+003 !\Author: WARNING !\Ref: ANALOGY TO CH3COCH3+X<=>CH2COCH3+HX X 0.5; CURRAN 1995 !\Comment: WARNING 
C2H5COCH3+O2<=>C2H5COCH2+HO2                      +2.05000000E+013 +0.00000000E+000 +4.91500000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H5OH+X<=>SC2H4OH+HX EA -(6 X 0.3) KCAL / MOL(C<=>O); CURRAN 1995 !\Comment: WARNING 
C2H5COCH3+CH3<=>C2H5COCH2+CH4                     +1.62000000E+011 +0.00000000E+000 +9.63000000E+003 !\Author: WARNING !\Ref: ANALOGY TO CH3COCH3+X<=>CH2COCH3+HX X 0.5; CURRAN 1995 !\Comment: WARNING 
C2H5COCH3+CH3O<=>C2H5COCH2+CH3OH                  +2.17000000E+011 +0.00000000E+000 +4.66000000E+003 !\Author: WARNING !\Ref: ANALOGY TO C3H8+X<=>C3H7+HX TSANG 88 EA -(6 X 0.3) KCAL / MOL(C<=>O); CURRAN 1995 !\Comment: WARNING 
C2H5COCH3+CH3O2<=>C2H5COCH2+CH3O2H                +3.01000000E+012 +0.00000000E+000 +1.75800000E+004 !\Author: WARNING !\Ref: ANALOGY TO C3H8+X<=>C3H7+HX TSANG 88 EA -(6 X 0.3) KCAL / MOL(C<=>O); CURRAN 1995 !\Comment: WARNING 
C2H5COCH3+C2H3<=>C2H5COCH2+C2H4                   +6.15000000E+010 +0.00000000E+000 +4.27800000E+003 !\Author: WARNING !\Ref: ANALOGY TO CH3COCH3+X<=>CH2COCH3+HX X 0.5; CURRAN 1995 !\Comment: WARNING 
C2H5COCH3+C2H5<=>C2H5COCH2+C2H6                   +5.00000000E+010 +0.00000000E+000 +1.16000000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H5OH+X<=>SC2H4OH+HX EA -(6 X 0.3) KCAL / MOL(C<=>O); CURRAN 1995 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C2H3COCH3+H<=>CH3CHCOCH3                          +5.00000000E+012 +0.00000000E+000 +1.20000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH IC3H6CHO+X -->PRODUCTS !\Comment: WARNING 
CH3CHCO+CH3<=>CH3CHCOCH3                          +1.23000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH IC3H6CHO+X -->PRODUCTS !\Comment: WARNING 
C2H5COCH2<=>CH2CO+C2H5                            +1.00000000E+014 +0.00000000E+000 +3.50000000E+004 !\Author: WARNING !\Ref: WKM 19 / 04 / 2010 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>RO2
!___________________________________________________________________________________________________________ 
CH3CHCOCH3+O2<=>CH3CHOOCOCH3                      +1.00000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: CURRAN AND GAFFURI, 1995 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>QOOH
!___________________________________________________________________________________________________________ 
CH3CHOOCOCH3<=>CH2CHOOHCOCH3                      +8.90000000E+012 +0.00000000E+000 +2.97000000E+004 !\Author: WARNING !\Ref: CURRAN AND GAFFURI, 1995 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH<=>ALKENE_HO2
!___________________________________________________________________________________________________________ 
C2H3COCH3+HO2<=>CH2CHOOHCOCH3                     +7.00000000E+010 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: CURRAN AND GAFFURI, 1995 !\Comment: WARNING 
!\SUBMECH: \C8H141-5,3-4 
!\MECHCOMMENTS: 
!\MECHWARNINGS: 
!---------------------------------------------------------------------------------------------------------------------------------- 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS:  \RH<=>PRODUCTS                             \A              \N              \EA            
!___________________________________________________________________________________________________________ 
C4H71-3+C4H71-3<=>C8H141-5,3-4                               +4.1100000E+016 -1.2600000E+000 +1.5606200E+003   !\AUTHOR: !\REF: FRIDLYAND ET AL. J. PHYS. CHEM. A, 2013, 117, 4762-4776
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS:  \RH_R_ABSTRACTION                          \A              \N              \EA            
!___________________________________________________________________________________________________________ 
C8H141-5,3-4+OH<=>C8H131-5,3-4,TA+H2O                        +2.5000000E+006 +2.0000000E+000 -2.6290600E+003   !\AUTHOR: !\REF: HENRY'S SLIDES
C8H141-5,3-4+HO2<=>C8H131-5,3-4,TA+H2O2                      +3.2000000E+004 +2.6000000E+000 +1.0755260E+004   !\AUTHOR: !\REF: HENRY'S SLIDES
C8H141-5,3-4+H<=>C8H131-5,3-4,TA+H2                          +5.0000000E+004 +2.5000000E+000 -2.8680700E+003   !\AUTHOR: !\REF: HENRY'S SLIDES
C8H141-5,3-4+O<=>C8H131-5,3-4,TA+OH                          +6.3000000E+010 +7.0000000E-001 +1.1950300E+003   !\AUTHOR: !\REF: HENRY'S SLIDES
C8H141-5,3-4+CH3<=>C8H131-5,3-4,TA+CH4                       +1.6000000E+012 +0.0000000E+000 +5.2581300E+003   !\AUTHOR: !\REF: HENRY'S SLIDES
C8H141-5,3-4+O2<=>C8H131-5,3-4,TA+HO2                        +1.6000000E+013 +0.0000000E+000 +3.5420000E+004   !\AUTHOR: !\REF: C4H8-1, C4H8-2 AND LLNL ANALOGY !\COMMENT: !ESTIMATED BY THE AVERAGE DIFFERENCE BETWEEN PRIMARY&SECONDARY ALKANE ABSTRACTION AND ALLYLIC ABSTRACTION
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS:  \RADICAL_BETA_SCISSION                     \A              \N              \EA            
!___________________________________________________________________________________________________________ 
C6H101-3,3+C2H3<=>C8H131-5,3-4,TA                            +4.4000000E+004 +2.4800000E+000 +6.1300000E+003   !\AUTHOR: !\REF: H. J. CURRAN INC. INT J CHEM KINET 38: 250 C275, 2006
C6H101-3,3<=>C2H3+C4H72-2                                    +2.5000000E+015 +0.0000000E+000 +9.9500000E+004   !\AUTHOR: !\REF: ANALOGY TO KUIWEN'S MECH
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS:  \R+HO2<=>PRODUCTS                          \A              \N              \EA            
!___________________________________________________________________________________________________________ 
C8H131-5,3-4,TA+HO2<=>C8H131-5,3-4,TAO+OH                    +1.6400000E+004 +2.7400000E+000 +1.1443800E+003   !\AUTHOR: !\REF:C. FRANKLIN GOLDSMITH J. PHYS. CHEM. A 2012, 116, 3325.3346 #ALLYL+HO2<=>ALLYLOXY+OH#
C4H71-3+C2H3COCH3<=>C8H131-5,3-4,TAO                         +2.5000000E+010 +0.0000000E+000 +1.0090000E+004   !\AUTHOR: !\REF: H.J. CURRAN, INT. J. CHEM. KIN. 38 (4) (2006) 250-275.
!---------------------------------------------------------------------------------------------------------------------------------- 
!\ENDSUBMECH: \C8H141-5,3-4 
!---------------------------------------------------------------------------------------------------------------------------------- 
!---------------------------------------------------------------------------------------------------------------------------------- 
!\SUBMECH: \C8H141-5,3 
!\MECHCOMMENTS: 
!\MECHWARNINGS: 
!---------------------------------------------------------------------------------------------------------------------------------- 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS:  \RH<=>PRODUCTS                             \A              \N              \EA            
!___________________________________________________________________________________________________________ 
C4H71-3+C4H71-3<=>C8H141-5,3                                 +4.1100000E+016 -1.2600000E+000 +1.5606200E+003   !\AUTHOR: !\REF: FRIDLYAND ET AL. J. PHYS. CHEM. A, 2013, 117, 4762-4776
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS:  \RH_R_ABSTRACTION                          \A              \N              \EA            
!___________________________________________________________________________________________________________ 
C8H141-5,3+OH<=>C8H131-5,3,TA+H2O                            +1.3000000E+006 +2.0000000E+000 -2.6290600E+003   !\AUTHOR: !\REF: HENRY'S SLIDES
C8H141-5,3+HO2<=>C8H131-5,3,TA+H2O2                          +1.6000000E+004 +2.6000000E+000 +1.0755260E+004   !\AUTHOR: !\REF: HENRY'S SLIDES
C8H141-5,3+H<=>C8H131-5,3,TA+H2                              +2.5000000E+004 +2.5000000E+000 -2.8680700E+003   !\AUTHOR: !\REF: HENRY'S SLIDES
C8H141-5,3+O<=>C8H131-5,3,TA+OH                              +3.2000000E+010 +7.0000000E-001 +1.1950300E+003   !\AUTHOR: !\REF: HENRY'S SLIDES
C8H141-5,3+CH3<=>C8H131-5,3,TA+CH4                           +7.9000000E+011 +0.0000000E+000 +5.2581300E+003   !\AUTHOR: !\REF: HENRY'S SLIDES
C8H141-5,3+O2<=>C8H131-5,3,TA+HO2                            +8.0000000E+012 +0.0000000E+000 +3.5420000E+004   !\AUTHOR: !\REF: C4H8-1, C4H8-2 AND LLNL ANALOGY !\COMMENT: !ESTIMATED BY THE AVERAGE DIFFERENCE BETWEEN PRIMARY&SECONDARY ALKANE ABSTRACTION AND ALLYLIC ABSTRACTION
C8H141-5,3+OH<=>C8H131-5,3,SA+H2O                            +3.2000000E+006 +2.0000000E+000 -1.4340300E+003   !\AUTHOR: !\REF: HENRY'S SLIDES
C8H141-5,3+HO2<=>C8H131-5,3,SA+H2O2                          +6.3000000E+003 +2.6000000E+000 +1.2428300E+004   !\AUTHOR: !\REF: HENRY'S SLIDES
C8H141-5,3+H<=>C8H131-5,3,SA+H2                              +5.0000000E+004 +2.5000000E+000 -1.6730400E+003   !\AUTHOR: !\REF: HENRY'S SLIDES
C8H141-5,3+O<=>C8H131-5,3,SA+OH                              +8.0000000E+010 +7.0000000E-001 +3.1070700E+003   !\AUTHOR: !\REF: HENRY'S SLIDES
C8H141-5,3+CH3<=>C8H131-5,3,SA+CH4                           +1.6000000E+012 +0.0000000E+000 +6.9311700E+003   !\AUTHOR: !\REF: HENRY'S SLIDES
C8H141-5,3+O2<=>C8H131-5,3,SA+HO2                            +2.0000000E+013 +0.0000000E+000 +3.7190000E+004   !\AUTHOR: !\REF: C4H8-1, C4H8-2 AND LLNL ANALOGY
C8H141-5,3+OH<=>C8H131-5,3,PA+H2O                            +3.0000000E+006 +2.0000000E+000 -2.3901000E+002   !\AUTHOR: !\REF: HENRY'S SLIDES
C8H141-5,3+HO2<=>C8H131-5,3,PA+H2O2                          +9.5000000E+003 +2.6000000E+000 +1.3862330E+004   !\AUTHOR: !\REF: HENRY'S SLIDES
C8H141-5,3+H<=>C8H131-5,3,PA+H2                              +1.9000000E+005 +2.5000000E+000 +2.3900600E+003   !\AUTHOR: !\REF: HENRY'S SLIDES
C8H141-5,3+O<=>C8H131-5,3,PA+OH                              +6.3000000E+010 +7.0000000E-001 +5.9751400E+003   !\AUTHOR: !\REF: HENRY'S SLIDES
C8H141-5,3+CH3<=>C8H131-5,3,PA+CH4                           +1.5000000E-001 +3.5000000E+000 +5.7361400E+003   !\AUTHOR: !\REF: HENRY'S SLIDES
C8H141-5,3+O2<=>C8H131-5,3,PA+HO2                            +2.0000000E+013 +0.0000000E+000 +3.9390000E+004   !\AUTHOR: !\REF: C4H8-1, C4H8-2 AND LLNL ANALOGY
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS:  \RADICAL_BETA_SCISSION                     \A              \N              \EA            
!___________________________________________________________________________________________________________ 
B13DE2M+C3H5-S<=>C8H131-5,3,TA                               +4.4000000E+004 +2.4800000E+000 +6.1300000E+003   !\AUTHOR: !\REF: H. J. CURRAN INC. INT J CHEM KINET 38: 250 C275, 2006
C6H10D24+C2H3<=>C8H131-5,3,SA                                +8.8000000E+003 +2.4800000E+000 +6.1300000E+003   !\AUTHOR: !\REF: H. J. CURRAN INC. INT J CHEM KINET 38: 250 C275, 2006
C4H61-3+C4H71-3<=>C8H131-5,3,PA                                 +1.3000000E+003 +2.4800000E+000 +8.5200000E+003   !\AUTHOR: !\REF: H. J. CURRAN INC. INT J CHEM KINET 38: 250 C275, 2006
!DONG 1002 DUPLICATED REACTION
!C6H10D24<=>C3H5-S+C3H5-S                                     +2.5000000E+015 +0.0000000E+000 +9.9500000E+004   !\AUTHOR: !\REF: ANALOGY TO KUIWEN'S MECH
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS:  \R+HO2<=>PRODUCTS                          \A              \N              \EA            
!___________________________________________________________________________________________________________ 
C8H131-5,3,TA+HO2<=>C8H131-5,3,TAO+OH                        +1.6400000E+004 +2.7400000E+000 +1.1443800E+003   !\AUTHOR: !\REF:C. FRANKLIN GOLDSMITH J. PHYS. CHEM. A 2012, 116, 3325.3346 #ALLYL+HO2<=>ALLYLOXY+OH#
C8H131-5,3,SA+HO2<=>C8H131-5,3,SAO+OH                        +1.6400000E+004 +2.7400000E+000 +1.1443800E+003   !\AUTHOR: !\REF:C. FRANKLIN GOLDSMITH J. PHYS. CHEM. A 2012, 116, 3325.3346 #ALLYL+HO2<=>ALLYLOXY+OH#
C8H131-5,3,PA+HO2<=>C8H131-5,3,PAO+OH                        +1.6400000E+004 +2.7400000E+000 +1.1443800E+003   !\AUTHOR: !\REF:C. FRANKLIN GOLDSMITH J. PHYS. CHEM. A 2012, 116, 3325.3346 #ALLYL+HO2<=>ALLYLOXY+OH#
!C4H71-3+C2H3COCH3<=>C8H131-5,3,TAO                           +2.5000000E+010 +0.0000000E+000 +1.0090000E+004   !\AUTHOR: !\REF: H.J. CURRAN, INT. J. CHEM. KIN. 38 (4) (2006) 250-275.!comment: Removed as reverse rate are too high
C4H71-3+SC3H5CHO<=>C8H131-5,3,SAO                            +3.3300000E+010 +0.0000000E+000 +6.3970000E+003   !\AUTHOR: !\REF: H.J. CURRAN, INT. J. CHEM. KIN. 38 (4) (2006) 250-275.
C7H111-5,3,6P+CH2O<=>C8H131-5,3,PAO                          +1.0000000E+011 +0.0000000E+000 +3.4960000E+003   !\AUTHOR: !\REF: H.J. CURRAN, INT. J. CHEM. KIN. 38 (4) (2006) 250-275.
CC5H9-A+C2H2<=>C7H111-5,3,6P                                 +1.3200000E+004 +2.4800000E+000 +6.1300000E+003   !\AUTHOR: !\REF: H.J. CURRAN, INT. J. CHEM. KIN. 38 (4) (2006) 250-275.
!---------------------------------------------------------------------------------------------------------------------------------- 
!\ENDSUBMECH: \C8H141-5,3 
!---------------------------------------------------------------------------------------------------------------------------------- 
!---------------------------------------------------------------------------------------------------------------------------------- 
!\SUBMECH: \C8H142-6 
!\MECHCOMMENTS: 
!\MECHWARNINGS: 
!---------------------------------------------------------------------------------------------------------------------------------- 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS:  \RH<=>PRODUCTS                             \A              \N              \EA            
!___________________________________________________________________________________________________________ 
C4H71-3+C4H71-3<=>C8H142-6                                   +4.1100000E+016 -1.2600000E+000 +1.5606200E+003   !\AUTHOR: !\REF: FRIDLYAND ET AL. J. PHYS. CHEM. A, 2013, 117, 4762-4776
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS:  \RH_R_ABSTRACTION                          \A              \N              \EA            
!___________________________________________________________________________________________________________ 
C8H142-6+OH<=>C8H132-6,SA+H2O                                +6.3000000E+006 +2.0000000E+000 -1.4340300E+003   !\AUTHOR: !\REF: HENRY'S SLIDES
C8H142-6+HO2<=>C8H132-6,SA+H2O2                              +1.3000000E+004 +2.6000000E+000 +1.2428300E+004   !\AUTHOR: !\REF: HENRY'S SLIDES
C8H142-6+H<=>C8H132-6,SA+H2                                  +1.0000000E+005 +2.5000000E+000 -1.6730400E+003   !\AUTHOR: !\REF: HENRY'S SLIDES
C8H142-6+O<=>C8H132-6,SA+OH                                  +1.6000000E+011 +7.0000000E-001 +3.1070700E+003   !\AUTHOR: !\REF: HENRY'S SLIDES
C8H142-6+CH3<=>C8H132-6,SA+CH4                               +3.2000000E+012 +0.0000000E+000 +6.9311700E+003   !\AUTHOR: !\REF: HENRY'S SLIDES
C8H142-6+O2<=>C8H132-6,SA+HO2                                +4.0000000E+013 +0.0000000E+000 +3.7190000E+004   !\AUTHOR: !\REF: C4H8-1, C4H8-2 AND LLNL ANALOGY
C8H142-6+OH<=>C8H132-6,PA+H2O                                +6.0000000E+006 +2.0000000E+000 -2.3901000E+002   !\AUTHOR: !\REF: HENRY'S SLIDES
C8H142-6+HO2<=>C8H132-6,PA+H2O2                              +1.9000000E+004 +2.6000000E+000 +1.3862330E+004   !\AUTHOR: !\REF: HENRY'S SLIDES
C8H142-6+H<=>C8H132-6,PA+H2                                  +3.8000000E+005 +2.5000000E+000 +2.3900600E+003   !\AUTHOR: !\REF: HENRY'S SLIDES
C8H142-6+O<=>C8H132-6,PA+OH                                  +1.3000000E+011 +7.0000000E-001 +5.9751400E+003   !\AUTHOR: !\REF: HENRY'S SLIDES
C8H142-6+CH3<=>C8H132-6,PA+CH4                               +3.0000000E-001 +3.5000000E+000 +5.7361400E+003   !\AUTHOR: !\REF: HENRY'S SLIDES
C8H142-6+O2<=>C8H132-6,PA+HO2                                +4.0000000E+013 +0.0000000E+000 +3.9390000E+004   !\AUTHOR: !\REF: C4H8-1, C4H8-2 AND LLNL ANALOGY
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS:  \RADICAL_BETA_SCISSION                     \A              \N              \EA            
!___________________________________________________________________________________________________________ 
C5H81-3+C3H5-S<=>C8H132-6,SA                                 +8.8000000E+003 +2.4800000E+000 +6.1300000E+003   !\AUTHOR: !\REF: H. J. CURRAN INC. INT J CHEM KINET 38: 250 C275, 2006
C4H61-3+C4H71-3<=>C8H132-6,PA                                   +1.3000000E+003 +2.4800000E+000 +8.5200000E+003   !\AUTHOR: !\REF: H. J. CURRAN INC. INT J CHEM KINET 38: 250 C275, 2006
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS:  \R+HO2<=>PRODUCTS                          \A              \N              \EA            
!___________________________________________________________________________________________________________ 
C8H132-6,SA+HO2<=>C8H132-6,SAO+OH                            +1.6400000E+004 +2.7400000E+000 +1.1443800E+003   !\AUTHOR: !\REF:C. FRANKLIN GOLDSMITH J. PHYS. CHEM. A 2012, 116, 3325.3346 #ALLYL+HO2<=>ALLYLOXY+OH#
C8H132-6,PA+HO2<=>C8H132-6,PAO+OH                            +1.6400000E+004 +2.7400000E+000 +1.1443800E+003   !\AUTHOR: !\REF:C. FRANKLIN GOLDSMITH J. PHYS. CHEM. A 2012, 116, 3325.3346 #ALLYL+HO2<=>ALLYLOXY+OH#
C4H71-3+SC3H5CHO<=>C8H132-6,SAO                              +3.3300000E+010 +0.0000000E+000 +6.3970000E+003   !\AUTHOR: !\REF:H.J. CURRAN, INT. J. CHEM. KIN. 38 (4) (2006) 250-275.!comment: Removed as reverse rate were too high
C7H111-5,1P+CH2O<=>C8H132-6,PAO                              +1.0000000E+011 +0.0000000E+000 +3.4960000E+003   !\AUTHOR: !\REF: H.J. CURRAN, INT. J. CHEM. KIN. 38 (4) (2006) 250-275.
C5H92-5+C2H2<=>C7H111-5,1P                                   +1.3200000E+004 +2.4800000E+000 +6.1300000E+003   !\AUTHOR: !\REF: H.J. CURRAN, INT. J. CHEM. KIN. 38 (4) (2006) 250-275.
!---------------------------------------------------------------------------------------------------------------------------------- 
!\ENDSUBMECH: \C8H142-6 
!---------------------------------------------------------------------------------------------------------------------------------- 

!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\END_KINETICS_MODULE: C4
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\KINETICS_MODULE: C5
!\MODCOMMENTS: KPS, 22 / 07 / 2015. WHEN COMBINING JBS PENTANE MECAHNISMS WITH CWS IC4H8 MECHANISMS I NOTICED THAT BOTH AUTHORS APPEAR TO HAVE UNIQUE AND DUPLICATE
!\MODCOMMENTS: CHEMICAL KINETICS FOR THE SPECIES "\AC5H10". THEREFORE, I HAVE SEPERATED THE C5 ALKENES /DIENES
!\MODCOMMENTS: AC5H10\BC5H10\CC5H10\B13DE2M INTO SEPERATE SUBMECHANISMS. I HAVE ALSO MOVED JBS AC5H10 KINETICS INTO CWS AC5H10 MECHANISM
!\MODCOMMENTS: PLEASE SEARCH FOR "!\\WARNING: DUPLICATED KINETICS" TO FIND THIS.
!\MODCOMMENTS: THERE ARE ALSO OTHER REASONS WHY I HAVE DONE THIS RELATED TO THE FACT
!\MODCOMMENTS: RELATING TO THE FACT THAT THESE ISOMERS COULD BE IMPORTANT FOR GASOLINE SURROGATES AS THEY ARE REQUIRED TO ACCURATELY PREDICT
!\MODCOMMENTS: THE DISTILLATION CURVE(HOW MUCH FUEL HAS EVAPORATED AT A GIVEN TEMPERATURE) OF REAL FUELS.
!\MODCOMMENTS: FOR THIS REASON, IT IS LIKELY THAT A REAL GASOLINE SURROGATE NEEDS AT LEAST:
!\MODCOMMENTS: HEPTANE /OCTANE /TOLUENE /IC4H8 /C5H10 /C2H5OH AND DI-ISOBUTYLENE MECHANISMS TO PREDICT BOTH THE EVAPORATION AND CHEMICAL KINETICS
!\MODCOMMENTS: OF REAL FUELS.
!\MODCOMMENTS: KPS, 22 / 07 / 2015. SOME REACTIONS HAVE BEEN INCORPORATED INTO THIS MECHANISM FROM KWS C6 / C7 MECHANISM. THERE ARE SOME "FLOATING" SPECIES AND REACTIONS IN C5 / C6 / C7 ALKANES.
!\MODCOMMENTS: MODELLERS NEED TO DISCUSS.
!\MODCOMMENTS: SPECIES "C5H81-3" IS 1,3-PENTADIENE. THIS SPECIES IS ALREADY IN AROMATIC MECAHNISM. MODELLERS NEED TO DISCUSS.
!\MODCOMMENTS: JB, 06 / 10 / 2015. 2- AND 3-PENTANONE SUBMECHANISMS INCLUDED.
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: NC5H12
!\REACTIONCLASS: QOOH<=>CYCETH+OH
!___________________________________________________________________________________________________________ 
C5H10OOH1-2<=>C5H10O1-2+OH                        +3.55000000E+012 +0.00000000E+000 +1.07147300E+004 !\Author: SD !\Ref: S.M. VILLANO, L.K. HUYNH, H.-H. CARSTENSEN, A.M. DEAN, J. PHYS. CHEM. A 116(21)(2012) 5068-5089 !\Comment: WARNING 
C5H10OOH1-3<=>C5H10O1-3+OH                        +9.51000000E+011 +0.00000000E+000 +1.66202800E+004 !\Author: SD !\Ref: S.M. VILLANO, L.K. HUYNH, H.-H. CARSTENSEN, A.M. DEAN, J. PHYS. CHEM. A 116(21)(2012) 5068-5089 !\Comment: WARNING 
C5H10OOH1-4<=>C5H10O1-4+OH                        +2.77000000E+010 +0.00000000E+000 +1.05019400E+004 !\Author: SD !\Ref: S.M. VILLANO, L.K. HUYNH, H.-H. CARSTENSEN, A.M. DEAN, J. PHYS. CHEM. A 116(21)(2012) 5068-5089 !\Comment: WARNING 
C5H10OOH1-5<=>C5H10O1-5+OH                        +1.04000000E+010 +0.00000000E+000 +1.19170200E+004 !\Author: SD !\Ref: S.M. VILLANO, L.K. HUYNH, H.-H. CARSTENSEN, A.M. DEAN, J. PHYS. CHEM. A 116(21)(2012) 5068-5089 !\Comment: WARNING 
C5H10OOH2-1<=>C5H10O1-2+OH                        +3.55000000E+012 +0.00000000E+000 +1.23724300E+004 !\Author: SD !\Ref: S.M. VILLANO, L.K. HUYNH, H.-H. CARSTENSEN, A.M. DEAN, J. PHYS. CHEM. A 116(21)(2012) 5068-5089 !\Comment: WARNING 
C5H10OOH2-3<=>C5H10O2-3+OH                        +1.78000000E+012 +0.00000000E+000 +1.27026300E+004 !\Author: SD !\Ref: S.M. VILLANO, L.K. HUYNH, H.-H. CARSTENSEN, A.M. DEAN, J. PHYS. CHEM. A 116(21)(2012) 5068-5089 !\Comment: WARNING 
C5H10OOH2-4<=>C5H10O2-4+OH                        +6.34000000E+011 +0.00000000E+000 +1.76126800E+004 !\Author: SD !\Ref: S.M. VILLANO, L.K. HUYNH, H.-H. CARSTENSEN, A.M. DEAN, J. PHYS. CHEM. A 116(21)(2012) 5068-5089 !\Comment: WARNING 
C5H10OOH2-5<=>C5H10O1-4+OH                        +2.77000000E+010 +0.00000000E+000 +1.15735400E+004 !\Author: SD !\Ref: S.M. VILLANO, L.K. HUYNH, H.-H. CARSTENSEN, A.M. DEAN, J. PHYS. CHEM. A 116(21)(2012) 5068-5089 !\Comment: WARNING 
C5H10OOH3-1<=>C5H10O1-3+OH                        +6.34000000E+011 +0.00000000E+000 +1.73346800E+004 !\Author: SD !\Ref: S.M. VILLANO, L.K. HUYNH, H.-H. CARSTENSEN, A.M. DEAN, J. PHYS. CHEM. A 116(21)(2012) 5068-5089 !\Comment: WARNING 
C5H10OOH3-2<=>C5H10O2-3+OH                        +1.78000000E+012 +0.00000000E+000 +1.27026300E+004 !\Author: SD !\Ref: S.M. VILLANO, L.K. HUYNH, H.-H. CARSTENSEN, A.M. DEAN, J. PHYS. CHEM. A 116(21)(2012) 5068-5089 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
NC5H12<=>NC3H7+C2H5                               +9.00000000E+045 -8.13000000E+000 +1.02538000E+005 !\Author: JB !\Ref: A. W. JASPER, J. A. MILLER, COMBUST. FLAME, 161(2014), 101-110 !\Comment: HPL ESTIMATED BY JB, AND PRESSURE DEPENDENT RATE CONSTANTS CALCULATED USIN 
PLOG /                           +1.00000000E-002 +1.18000000E+096 -2.31700000E+001 +1.26046000E+005 /
PLOG /                           +1.00000000E-001 +1.85500000E+089 -2.09000000E+001 +1.25630000E+005 /
PLOG /                           +1.00000000E+000 +3.55000000E+076 -1.70200000E+001 +1.20458000E+005 /
PLOG /                           +2.00000000E+000 +3.47500000E+071 -1.55400000E+001 +1.17854000E+005 /
PLOG /                           +5.00000000E+000 +2.16000000E+064 -1.34300000E+001 +1.13815000E+005 /
PLOG /                           +1.00000000E+001 +4.55000000E+058 -1.17900000E+001 +1.10456000E+005 /
PLOG /                           +2.00000000E+001 +1.02000000E+053 -1.01500000E+001 +1.06996000E+005 /
PLOG /                           +5.00000000E+001 +9.00000000E+045 -8.13000000E+000 +1.02538000E+005 /
NC5H12<=>PC4H9+CH3                                +9.74000000E+043 -7.75000000E+000 +1.03923000E+005 !\Author: JB !\Ref: A. W. JASPER, J. A. MILLER, COMBUST. FLAME, 161(2014), 101-110 !\Comment: HPL ESTIMATED BY JB, AND PRESSURE DEPENDENT RATE CONSTANTS CALCULATED USIN 
PLOG /                           +1.00000000E-002 +7.09000000E+092 -2.24600000E+001 +1.26235000E+005 /
PLOG /                           +1.00000000E-001 +4.83000000E+086 -2.03600000E+001 +1.26331000E+005 /
PLOG /                           +1.00000000E+000 +3.24000000E+074 -1.66300000E+001 +1.21640000E+005 /
PLOG /                           +2.00000000E+000 +4.03000000E+069 -1.51800000E+001 +1.19142000E+005 /
PLOG /                           +5.00000000E+000 +3.00000000E+062 -1.30900000E+001 +1.15199000E+005 /
PLOG /                           +1.00000000E+001 +6.47000000E+056 -1.14400000E+001 +1.11875000E+005 /
PLOG /                           +2.00000000E+001 +1.36000000E+051 -9.80000000E+000 +1.08418000E+005 /
PLOG /                           +5.00000000E+001 +9.74000000E+043 -7.75000000E+000 +1.03923000E+005 /
NC5H12<=>C5H11-1+H                                +3.28000000E+046 -8.67000000E+000 +1.20241000E+005 !\Author: JB !\Ref: A. W. JASPER, J. A. MILLER, COMBUST. FLAME, 161(2014), 101-110 !\Comment: HPL ESTIMATED BY JB, AND PRESSURE DEPENDENT RATE CONSTANTS CALCULATED USIN 
PLOG /                           +1.00000000E-002 +1.99000000E+074 -1.77500000E+001 +1.24798000E+005 /
PLOG /                           +1.00000000E-001 +5.72000000E+076 -1.80100000E+001 +1.31106000E+005 /
PLOG /                           +1.00000000E+000 +4.42000000E+072 -1.64600000E+001 +1.32942000E+005 /
PLOG /                           +2.00000000E+000 +4.56000000E+069 -1.55200000E+001 +1.32148000E+005 /
PLOG /                           +5.00000000E+000 +2.64000000E+064 -1.39200000E+001 +1.30026000E+005 /
PLOG /                           +1.00000000E+001 +3.80000000E+059 -1.24800000E+001 +1.27648000E+005 /
PLOG /                           +2.00000000E+001 +1.44000000E+054 -1.08900000E+001 +1.24707000E+005 /
PLOG /                           +5.00000000E+001 +3.28000000E+046 -8.67000000E+000 +1.20241000E+005 /
NC5H12<=>C5H11-2+H                                +2.50000000E+045 -8.36000000E+000 +1.15883000E+005 !\Author: JB !\Ref: A. W. JASPER, J. A. MILLER, COMBUST. FLAME, 161(2014), 101-110 !\Comment: HPL ESTIMATED BY JB, AND PRESSURE DEPENDENT RATE CONSTANTS CALCULATED USIN 
PLOG /                           +1.00000000E-002 +6.93000000E+079 -1.92400000E+001 +1.25716000E+005 /
PLOG /                           +1.00000000E-001 +7.69000000E+079 -1.88300000E+001 +1.30425000E+005 /
PLOG /                           +1.00000000E+000 +2.34000000E+073 -1.66300000E+001 +1.30412000E+005 /
PLOG /                           +2.00000000E+000 +5.64000000E+069 -1.55200000E+001 +1.29087000E+005 /
PLOG /                           +5.00000000E+000 +6.77000000E+063 -1.37400000E+001 +1.26353000E+005 /
PLOG /                           +1.00000000E+001 +4.30000000E+058 -1.22100000E+001 +1.23622000E+005 /
PLOG /                           +2.00000000E+001 +1.06000000E+053 -1.05700000E+001 +1.20451000E+005 /
PLOG /                           +5.00000000E+001 +2.50000000E+045 -8.36000000E+000 +1.15883000E+005 /
NC5H12<=>C5H11-3+H                                +1.26000000E+045 -8.36000000E+000 +1.15883000E+005 !\Author: JB !\Ref: A. W. JASPER, J. A. MILLER, COMBUST. FLAME, 161(2014), 101-110 !\Comment: HPL ESTIMATED BY JB, AND PRESSURE DEPENDENT RATE CONSTANTS CALCULATED USIN 
PLOG /                           +1.00000000E-002 +3.49000000E+079 -1.92400000E+001 +1.25716000E+005 /
PLOG /                           +1.00000000E-001 +3.88000000E+079 -1.88400000E+001 +1.30425000E+005 /
PLOG /                           +1.00000000E+000 +1.18000000E+073 -1.66300000E+001 +1.30412000E+005 /
PLOG /                           +2.00000000E+000 +2.84000000E+069 -1.55200000E+001 +1.29087000E+005 /
PLOG /                           +5.00000000E+000 +3.41000000E+063 -1.37400000E+001 +1.26353000E+005 /
PLOG /                           +1.00000000E+001 +2.17000000E+058 -1.22100000E+001 +1.23622000E+005 /
PLOG /                           +2.00000000E+001 +5.32000000E+052 -1.05700000E+001 +1.20451000E+005 /
PLOG /                           +5.00000000E+001 +1.26000000E+045 -8.36000000E+000 +1.15883000E+005 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH<=>ALKENE_HO2
!___________________________________________________________________________________________________________ 
C5H10-1+HO2<=>C5H10OOH1-2                         +2.82000000E+004 +2.49000000E+000 +1.47340000E+004 !\Author: WARNING !\Ref: ZADOR, J., KLIPPENSTEIN, S. J., & MILLER, J. A.(2011). THE JOURNAL OF PHYSICAL CHEMISTRY A, 115(36), 10218-10225. !\Comment: WARNING 
C5H10-1+HO2<=>C5H10OOH2-1                         +1.36000000E+002 +3.00000000E+000 +1.24840000E+004 !\Author: WARNING !\Ref: ZADOR, J., KLIPPENSTEIN, S. J., & MILLER, J. A.(2011). THE JOURNAL OF PHYSICAL CHEMISTRY A, 115(36), 10218-10225. !\Comment: WARNING 
C5H10-2+HO2<=>C5H10OOH2-3                         +4.78000000E+003 +2.58000000E+000 +1.03470000E+004 !\Author: WARNING !\Ref: ZADOR, J., KLIPPENSTEIN, S. J., & MILLER, J. A.(2011). THE JOURNAL OF PHYSICAL CHEMISTRY A, 115(36), 10218-10225. !\Comment: WARNING 
C5H10-2+HO2<=>C5H10OOH3-2                         +4.78000000E+003 +2.58000000E+000 +1.03470000E+004 !\Author: WARNING !\Ref: ZADOR, J., KLIPPENSTEIN, S. J., & MILLER, J. A.(2011). THE JOURNAL OF PHYSICAL CHEMISTRY A, 115(36), 10218-10225. !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
NC5H12+O2<=>C5H11-1+HO2                           +4.20000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H12+O<=>C5H11-1+OH                             +1.13000000E+014 +0.00000000E+000 +7.85000000E+003 !\Author: JB !\Ref: J. V. MICHAEL, D. G. KEIL, R. B. KLEMM, INT. J. CHEM. KINET., 15, 1983, 705-719 !\Comment: WARNING 
NC5H12+H<=>C5H11-1+H2                             +3.49000000E+005 +2.69000000E+000 +6.45000000E+003 !\Author: JB !\Ref: W. TSANG, J. PHYS. CHEM. REF. DATA, 17, 1988, 887-951 !\Comment: APPEARS TO HAVE BEEN SLIGHTLY MODIFIED FROM THAT STATED IN ORIGINAL SOURCE 
NC5H12+OH<=>C5H11-1+H2O                           +2.73200000E+007 +1.81300000E+000 +8.68400000E+002 !\Author: JB !\Ref: R. SIVARAMAKRISHNAN, J. V. MICHAEL, J. PHYS. CHEM. A, 113, 2009, 5047-5060 !\Comment: WARNING 
NC5H12+HO2<=>C5H11-1+H2O2                         +2.08000000E+001 +3.59000000E+000 +1.56000000E+004 !\Author: SP !\Ref: 60% OF NEW RATE !\Comment: WARNING 
NC5H12+CH3<=>C5H11-1+CH4                          +9.04000000E-001 +3.65000000E+000 +7.15400000E+003 !\Author: JB !\Ref: W. TSANG, J. PHYS. CHEM. REF. DATA, 17, 1988, 887-951 !\Comment: WARNING 
NC5H12+CH3O<=>C5H11-1+CH3OH                       +3.00000000E+011 +0.00000000E+000 +7.00000000E+003 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: SEEMS TO BE AN ESTIMATE FROM FRED DRYER. UNKNOWN SOURCE OR YEAR 
NC5H12+C2H5<=>C5H11-1+C2H6                        +1.00000000E+011 +0.00000000E+000 +1.34000000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H12+C2H3<=>C5H11-1+C2H4                        +1.00000000E+012 +0.00000000E+000 +1.80000000E+004 !\Author: JB !\Ref: K. M. SUNDARAM, G. F. FROMENT, IND. ENG. CHEM. FUNDAM., 17, 1978, 174-182 !\Comment: WARNING 
NC5H12+C5H11O2-1<=>C5H11-1+C5H11O2H-1             +1.21000000E+013 +0.00000000E+000 +2.04300000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H12+C5H11O2-1<=>C5H11-2+C5H11O2H-1             +8.06400000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H12+C5H11O2-1<=>C5H11-3+C5H11O2H-1             +4.03200000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H12+O2<=>C5H11-2+HO2                           +2.80000000E+013 +0.00000000E+000 +5.01600000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H12+O<=>C5H11-2+OH                             +5.62000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: JB !\Ref: J. V. MICHAEL, D. G. KEIL, R. B. KLEMM, INT. J. CHEM. KINET., 15, 1983, 705-719 !\Comment: WARNING 
NC5H12+H<=>C5H11-2+H2                             +2.60000000E+006 +2.40000000E+000 +4.47100000E+003 !\Author: JB !\Ref: W. TSANG, J. PHYS. CHEM. REF. DATA, 17, 1988, 887-951 !\Comment: WARNING 
NC5H12+OH<=>C5H11-2+H2O                           +1.41100000E+010 +9.35000000E-001 +5.04700000E+002 !\Author: JB !\Ref: R. SIVARAMAKRISHNAN, J. V. MICHAEL, J. PHYS. CHEM. A, 113, 2009, 5047-5060 !\Comment: WARNING 
NC5H12+HO2<=>C5H11-2+H2O2                         +1.26400000E+002 +3.37000000E+000 +1.37200000E+004 !\Author: JB !\Ref: J. AGUILERA-IPARRAGUIRRE, H. J. CURRAN, W. KLOPPER, J. M. SIMMIE, J. PHYS. CHEM. A, 112, 2008, 7047-7054 !\Comment: WARNING 
NC5H12+CH3<=>C5H11-2+CH4                          +1.68000000E+005 +2.13300000E+000 +7.57400000E+003 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: NOT FROM SAME REFERENCE AS FOR PRIMARY SITE. DIFFERS FROM RECOMMENDATION IN THAT REFERENCE BY UP TO FACTOR OF 2. 
NC5H12+CH3O<=>C5H11-2+CH3OH                       +2.20000000E+011 +0.00000000E+000 +5.00000000E+003 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H12+C2H5<=>C5H11-2+C2H6                        +1.00000000E+011 +0.00000000E+000 +1.04000000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H12+C2H3<=>C5H11-2+C2H4                        +8.00000000E+011 +0.00000000E+000 +1.68000000E+004 !\Author: JB !\Ref: K. M. SUNDARAM, G. F. FROMENT, IND. ENG. CHEM. FUNDAM., 17, 1978, 174-182 !\Comment: WARNING 
NC5H12+C5H11-1<=>C5H11-2+NC5H12                   +1.00000000E+011 +0.00000000E+000 +1.04000000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H12+C5H11O2-2<=>C5H11-1+C5H11O2H-2             +1.21000000E+013 +0.00000000E+000 +2.04300000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H12+C5H11O2-2<=>C5H11-2+C5H11O2H-2             +8.06400000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H12+C5H11O2-2<=>C5H11-3+C5H11O2H-2             +4.03200000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H12+O2<=>C5H11-3+HO2                           +1.40000000E+013 +0.00000000E+000 +5.01600000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H12+O<=>C5H11-3+OH                             +2.81000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: JB !\Ref: J. V. MICHAEL, D. G. KEIL, R. B. KLEMM, INT. J. CHEM. KINET., 15, 1983, 705-719 !\Comment: WARNING 
NC5H12+H<=>C5H11-3+H2                             +1.30000000E+006 +2.40000000E+000 +4.47100000E+003 !\Author: JB !\Ref: W. TSANG, J. PHYS. CHEM. REF. DATA, 17, 1988, 887-951 !\Comment: WARNING 
NC5H12+OH<=>C5H11-3+H2O                           +5.72100000E+006 +1.81100000E+000 -1.01550000E+003 !\Author: JB !\Ref: R. SIVARAMAKRISHNAN, J. V. MICHAEL, J. PHYS. CHEM. A, 113, 2009, 5047-5060 !\Comment: WARNING 
NC5H12+HO2<=>C5H11-3+H2O2                         +6.32000000E+001 +3.37000000E+000 +1.37200000E+004 !\Author: JB !\Ref: J. AGUILERA-IPARRAGUIRRE, H. J. CURRAN, W. KLOPPER, J. M. SIMMIE, J. PHYS. CHEM. A, 112, 2008, 7047-7054 !\Comment: WARNING 
NC5H12+CH3<=>C5H11-3+CH4                          +8.40000000E+004 +2.13300000E+000 +7.57400000E+003 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: NOT FROM SAME REFERENCE AS FOR PRIMARY SITE. DIFFERS FROM RECOMMENDATION IN THAT REFERENCE BY UP TO FACTOR OF 2. 
NC5H12+CH3O<=>C5H11-3+CH3OH                       +1.10000000E+011 +0.00000000E+000 +5.00000000E+003 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H12+C2H5<=>C5H11-3+C2H6                        +5.00000000E+010 +0.00000000E+000 +1.04000000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H12+C2H3<=>C5H11-3+C2H4                        +4.00000000E+011 +0.00000000E+000 +1.68000000E+004 !\Author: JB !\Ref: K. M. SUNDARAM, G. F. FROMENT, IND. ENG. CHEM. FUNDAM., 17, 1978, 174-182 !\Comment: WARNING 
NC5H12+C5H11-1<=>C5H11-3+NC5H12                   +5.00000000E+010 +0.00000000E+000 +1.04000000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H12+C5H11-2<=>C5H11-3+NC5H12                   +5.00000000E+010 +0.00000000E+000 +1.23000000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H12+C5H11O2-3<=>C5H11-1+C5H11O2H-3             +1.21000000E+013 +0.00000000E+000 +2.04300000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H12+C5H11O2-3<=>C5H11-2+C5H11O2H-3             +8.06400000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H12+C5H11O2-3<=>C5H11-3+C5H11O2H-3             +4.03200000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H12+CH3O2<=>C5H11-1+CH3O2H                     +2.08000000E+001 +3.59000000E+000 +1.76000000E+004 !\Author: SP !\Ref: 60% OF NEW FIT !\Comment: WARNING 
NC5H12+CH3O2<=>C5H11-2+CH3O2H                     +1.26000000E+002 +3.37000000E+000 +1.52200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC5H12+CH3O2<=>C5H11-3+CH3O2H                     +6.60000000E+001 +3.37000000E+000 +1.52200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC5H12+C2H5O2<=>C5H11-1+C2H5O2H                   +2.08000000E+001 +3.59000000E+000 +1.76000000E+004 !\Author: SP !\Ref: 60% OF NEW FIT !\Comment: WARNING 
NC5H12+C2H5O2<=>C5H11-2+C2H5O2H                   +1.26000000E+002 +3.37000000E+000 +1.52200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC5H12+C2H5O2<=>C5H11-3+C2H5O2H                   +6.60000000E+001 +3.37000000E+000 +1.52200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC5H12+O2CHO<=>C5H11-1+HO2CHO                     +2.08000000E+001 +3.59000000E+000 +1.56000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC5H12+O2CHO<=>C5H11-2+HO2CHO                     +1.26400000E+002 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC5H12+O2CHO<=>C5H11-3+HO2CHO                     +6.32000000E+001 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC5H12+CH3CO3<=>CH3CO3H+C5H11-1                   +2.08000000E+001 +3.59000000E+000 +1.56000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC5H12+CH3CO3<=>CH3CO3H+C5H11-2                   +1.26400000E+002 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC5H12+CH3CO3<=>CH3CO3H+C5H11-3                   +6.32000000E+001 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C5H10OOH1-3=>OH+CH2O+C4H8-1                       +9.10000000E+008 +1.40000000E+000 +2.55000000E+004 !\Author: JB !\Ref: S. M. VILLANO, L. K. HUYNH, H. -H. CARSTENSEN, A. M. DEAN, J. PHYS. CHEM. A, 116, 2012, 5068-5089 !\Comment: WARNING 
C5H10OOH2-4=>OH+CH3CHO+C3H6                       +1.18000000E+009 +1.20000000E+000 +2.27000000E+004 !\Author: JB !\Ref: S. M. VILLANO, L. K. HUYNH, H. -H. CARSTENSEN, A. M. DEAN, J. PHYS. CHEM. A, 116, 2012, 5068-5089 !\Comment: WARNING 
C5H10OOH3-1=>OH+C2H5CHO+C2H4                      +3.09600000E+018 -1.73000000E+000 +2.68200000E+004 !\Author: JB !\Ref: S. M. VILLANO, L. K. HUYNH, H. -H. CARSTENSEN, A. M. DEAN, J. PHYS. CHEM. A, 116, 2012, 5068-5089 !\Comment: WARNING 
C5H10OOH1-2<=>C2H5+AC3H5OOH                       +2.41000000E+010 +1.02000000E+000 +2.82000000E+004 !\Author: JB !\Ref: S. M. VILLANO, L. K. HUYNH, H. -H. CARSTENSEN, A. M. DEAN, J. PHYS. CHEM. A, 116, 2012, 5068-5089 !\Comment: WARNING 
C5H10OOH1-4<=>C3H6+C2H4O2H                        +5.08000000E+011 +7.00000000E-001 +2.87000000E+004 !\Author: JB !\Ref: S. M. VILLANO, L. K. HUYNH, H. -H. CARSTENSEN, A. M. DEAN, J. PHYS. CHEM. A, 116, 2012, 5068-5089 !\Comment: WARNING 
C5H10OOH2-5<=>C2H4+C3H6OOH2-1                     +6.86000000E+013 +1.00000000E-001 +2.90000000E+004 !\Author: JB !\Ref: S. M. VILLANO, L. K. HUYNH, H. -H. CARSTENSEN, A. M. DEAN, J. PHYS. CHEM. A, 116, 2012, 5068-5089 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
CC5H10+H<=>DC5H11                                 +5.09000000E+014 -4.20000000E-001 +4.79700000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.66000000E+053 -1.41300000E+001 +1.19400000E+004 /
PLOG /                           +1.00000000E-001 +3.75000000E+049 -1.23000000E+001 +1.23000000E+004 /
PLOG /                           +1.00000000E+000 +1.79000000E+039 -8.62000000E+000 +1.06200000E+004 /
PLOG /                           +1.00000000E+001 +1.61000000E+029 -5.19000000E+000 +8.50600000E+003 /
PLOG /                           +1.00000000E+002 +6.87000000E+019 -2.10000000E+000 +6.14200000E+003 /
PLOG /                           +1.00000000E+003 +5.09000000E+014 -4.20000000E-001 +4.79700000E+003 /
CC5H10+H<=>CC5H11                                 +4.07000000E+014 -2.40000000E-001 +3.11900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.41000000E+053 -1.32900000E+001 +1.16600000E+004 /
PLOG /                           +1.00000000E-001 +1.43000000E+044 -1.00700000E+001 +1.02500000E+004 /
PLOG /                           +1.00000000E+000 +1.09000000E+033 -6.30000000E+000 +7.79500000E+003 /
PLOG /                           +1.00000000E+001 +1.07000000E+025 -3.63000000E+000 +5.90100000E+003 /
PLOG /                           +1.00000000E+002 +3.43000000E+019 -1.82000000E+000 +4.52200000E+003 /
PLOG /                           +1.00000000E+003 +4.07000000E+014 -2.40000000E-001 +3.11900000E+003 /
CC5H10+H<=>BC5H11                                 +6.89000000E-006 +5.37000000E+000 +8.25900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.96000000E+052 -1.40200000E+001 +1.51100000E+004 /
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CC5H10+H<=>AC5H11                                 +3.01000000E-004 +4.75000000E+000 +4.93000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +9.54000000E+054 -1.44800000E+001 +1.34900000E+004 /
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CC5H10+H<=>C2H4+IC3H7                             +1.59000000E-006 +6.01000000E+000 +5.37900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.56000000E+010 +1.06000000E+000 +4.07700000E+003 /
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CC5H10+H<=>C4H8-2+CH3                             +2.33000000E-009 +6.95000000E+000 +4.03500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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CC5H10+H<=>IC4H8+CH3                              +5.47000000E-021 +1.01900000E+001 +1.03800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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CC5H10+H<=>C3H6+C2H5                              +1.79000000E-019 +9.59000000E+000 +8.17100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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CC5H10+H<=>C4H8-1+CH3                             +1.50000000E-020 +9.92000000E+000 +8.82200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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CC5H10+H<=>AC5H10+H                               +5.12000000E-026 +1.16400000E+001 +1.00800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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CC5H10+H<=>BC5H10+H                               +6.53000000E-013 +7.73000000E+000 +5.17400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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DC5H11<=>CC5H11                                   +4.51000000E-003 +4.31000000E+000 +2.72200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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DC5H11<=>BC5H11                                   +6.66000000E-013 +6.86000000E+000 +2.00500000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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DC5H11<=>AC5H11                                   +3.74000000E-001 +3.38000000E+000 +1.55100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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DC5H11<=>C2H4+IC3H7                               +6.03000000E+016 -9.30000000E-001 +2.94600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.06000000E+048 -1.15000000E+001 +3.64000000E+004 /
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DC5H11<=>C4H8-2+CH3                               +9.00000000E-006 +5.46000000E+000 +3.85500000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.62000000E+047 -1.20700000E+001 +4.40100000E+004 /
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DC5H11<=>IC4H8+CH3                                +1.87000000E-009 +6.26000000E+000 +3.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.40000000E+046 -1.18200000E+001 +4.25100000E+004 /
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DC5H11<=>C3H6+C2H5                                +6.51000000E+001 +3.17000000E+000 +3.36600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.61000000E+053 -1.33100000E+001 +4.19700000E+004 /
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DC5H11<=>C4H8-1+CH3                               +4.23000000E+001 +3.26000000E+000 +3.53300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.97000000E+054 -1.37800000E+001 +4.35000000E+004 /
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DC5H11<=>AC5H10+H                                 +9.68000000E-005 +4.81000000E+000 +3.68000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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DC5H11<=>BC5H10+H                                 +3.47000000E-010 +6.50000000E+000 +3.82600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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CC5H11<=>BC5H11                                   +9.19000000E-004 +4.36000000E+000 +2.74100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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CC5H11<=>AC5H11                                   +3.35000000E-016 +7.92000000E+000 +2.26600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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CC5H11<=>C2H4+IC3H7                               +1.31000000E-004 +5.13000000E+000 +4.05700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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CC5H11<=>C4H8-2+CH3                               +5.59000000E+014 -3.30000000E-001 +3.21000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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CC5H11<=>IC4H8+CH3                                +6.25000000E-006 +5.37000000E+000 +3.88700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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CC5H11<=>C3H6+C2H5                                +1.42000000E-008 +6.10000000E+000 +3.97300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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CC5H11<=>C4H8-1+CH3                               +9.92000000E-009 +6.16000000E+000 +4.10100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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CC5H11<=>AC5H10+H                                 +9.34000000E-008 +5.93000000E+000 +4.18500000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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CC5H11<=>BC5H10+H                                 +4.08000000E+013 -2.20000000E-001 +3.60700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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PLOG /                           +1.00000000E+001 +8.33000000E+021 -2.93000000E+000 +3.82800000E+004 /
PLOG /                           +1.00000000E+002 +2.62000000E+017 -1.45000000E+000 +3.71500000E+004 /
PLOG /                           +1.00000000E+003 +4.08000000E+013 -2.20000000E-001 +3.60700000E+004 /
BC5H11<=>AC5H11                                   +4.17000000E-005 +4.89000000E+000 +2.97000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.68000000E+014 -2.27000000E+000 +3.08600000E+004 /
PLOG /                           +1.00000000E-001 +2.45000000E+008 +1.00000000E-001 +3.07100000E+004 /
PLOG /                           +1.00000000E+000 +9.79000000E-001 +3.10000000E+000 +2.94000000E+004 /
PLOG /                           +1.00000000E+001 +2.72000000E-003 +4.10000000E+000 +2.93900000E+004 /
PLOG /                           +1.00000000E+002 +2.58000000E-003 +4.24000000E+000 +2.99200000E+004 /
PLOG /                           +1.00000000E+003 +4.17000000E-005 +4.89000000E+000 +2.97000000E+004 /
BC5H11<=>C2H4+IC3H7                               +9.24000000E-009 +6.08000000E+000 +3.97300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.32000000E+043 -1.10100000E+001 +4.60000000E+004 /
PLOG /                           +1.00000000E-001 +1.57000000E+037 -8.42000000E+000 +4.68100000E+004 /
PLOG /                           +1.00000000E+000 +2.10000000E+024 -4.04000000E+000 +4.54200000E+004 /
PLOG /                           +1.00000000E+001 +1.42000000E+012 -8.00000000E-002 +4.36400000E+004 /
PLOG /                           +1.00000000E+002 +2.71000000E+001 +3.26000000E+000 +4.17500000E+004 /
PLOG /                           +1.00000000E+003 +9.24000000E-009 +6.08000000E+000 +3.97300000E+004 /
BC5H11<=>C4H8-2+CH3                               +5.14000000E-006 +5.39000000E+000 +4.17100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.30000000E+048 -1.21600000E+001 +4.84300000E+004 /
PLOG /                           +1.00000000E-001 +1.73000000E+041 -9.49000000E+000 +4.93000000E+004 /
PLOG /                           +1.00000000E+000 +2.75000000E+027 -4.81000000E+000 +4.76600000E+004 /
PLOG /                           +1.00000000E+001 +1.66000000E+014 -5.30000000E-001 +4.55200000E+004 /
PLOG /                           +1.00000000E+002 +1.72000000E+004 +2.57000000E+000 +4.37900000E+004 /
PLOG /                           +1.00000000E+003 +5.14000000E-006 +5.39000000E+000 +4.17100000E+004 /
BC5H11<=>IC4H8+CH3                                +2.90000000E+013 +3.00000000E-002 +3.10300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.34000000E+040 -9.09000000E+000 +3.74200000E+004 /
PLOG /                           +1.00000000E-001 +3.77000000E+032 -6.30000000E+000 +3.57200000E+004 /
PLOG /                           +1.00000000E+000 +3.32000000E+024 -3.61000000E+000 +3.38100000E+004 /
PLOG /                           +1.00000000E+001 +3.42000000E+019 -1.95000000E+000 +3.26100000E+004 /
PLOG /                           +1.00000000E+002 +2.30000000E+016 -9.00000000E-001 +3.18300000E+004 /
PLOG /                           +1.00000000E+003 +2.90000000E+013 +3.00000000E-002 +3.10300000E+004 /
BC5H11<=>C3H6+C2H5                                +1.42000000E-005 +5.37000000E+000 +4.20900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.93000000E+047 -1.18900000E+001 +4.81800000E+004 /
PLOG /                           +1.00000000E-001 +2.69000000E+041 -9.51000000E+000 +4.93800000E+004 /
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PLOG /                           +1.00000000E+001 +2.91000000E+015 -8.20000000E-001 +4.60800000E+004 /
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PLOG /                           +1.00000000E+003 +1.42000000E-005 +5.37000000E+000 +4.20900000E+004 /
BC5H11<=>C4H8-1+CH3                               +5.12000000E-006 +5.52000000E+000 +4.32200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.94000000E+047 -1.20900000E+001 +4.90800000E+004 /
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PLOG /                           +1.00000000E+001 +1.86000000E+016 -1.09000000E+000 +4.74800000E+004 /
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PLOG /                           +1.00000000E+003 +5.12000000E-006 +5.52000000E+000 +4.32200000E+004 /
BC5H11<=>AC5H10+H                                 +1.66000000E+013 +1.80000000E-001 +3.74500000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.41000000E+048 -1.19100000E+001 +4.50700000E+004 /
PLOG /                           +1.00000000E-001 +2.68000000E+040 -8.91000000E+000 +4.38500000E+004 /
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PLOG /                           +1.00000000E+001 +3.54000000E+022 -2.87000000E+000 +3.98700000E+004 /
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PLOG /                           +1.00000000E+003 +1.66000000E+013 +1.80000000E-001 +3.74500000E+004 /
BC5H11<=>BC5H10+H                                 +6.01000000E+013 -1.60000000E-001 +3.63900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.43000000E+047 -1.16600000E+001 +4.39000000E+004 /
PLOG /                           +1.00000000E-001 +1.75000000E+039 -8.64000000E+000 +4.24900000E+004 /
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PLOG /                           +1.00000000E+001 +2.59000000E+022 -2.98000000E+000 +3.86600000E+004 /
PLOG /                           +1.00000000E+002 +5.88000000E+017 -1.45000000E+000 +3.75100000E+004 /
PLOG /                           +1.00000000E+003 +6.01000000E+013 -1.60000000E-001 +3.63900000E+004 /
AC5H11<=>C2H4+IC3H7                               +2.36000000E+000 +3.53000000E+000 +3.12800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +9.71000000E+050 -1.24500000E+001 +3.94400000E+004 /
PLOG /                           +1.00000000E-001 +2.49000000E+041 -9.18000000E+000 +3.87300000E+004 /
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PLOG /                           +1.00000000E+001 +3.68000000E+016 -1.24000000E+000 +3.44600000E+004 /
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PLOG /                           +1.00000000E+003 +2.36000000E+000 +3.53000000E+000 +3.12800000E+004 /
AC5H11<=>C4H8-2+CH3                               +3.20000000E-010 +6.51000000E+000 +3.61000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.56000000E+046 -1.18300000E+001 +4.36700000E+004 /
PLOG /                           +1.00000000E-001 +1.35000000E+038 -8.68000000E+000 +4.41100000E+004 /
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PLOG /                           +1.00000000E+001 +2.07000000E+009 +8.20000000E-001 +3.97200000E+004 /
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PLOG /                           +1.00000000E+003 +3.20000000E-010 +6.51000000E+000 +3.61000000E+004 /
AC5H11<=>IC4H8+CH3                                +2.08000000E-006 +5.54000000E+000 +3.59200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.46000000E+047 -1.18800000E+001 +4.26100000E+004 /
PLOG /                           +1.00000000E-001 +1.74000000E+040 -9.14000000E+000 +4.33600000E+004 /
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PLOG /                           +1.00000000E+001 +1.58000000E+013 -1.80000000E-001 +3.95300000E+004 /
PLOG /                           +1.00000000E+002 +3.57000000E+003 +2.81000000E+000 +3.78900000E+004 /
PLOG /                           +1.00000000E+003 +2.08000000E-006 +5.54000000E+000 +3.59200000E+004 /
AC5H11<=>C3H6+C2H5                                +1.33000000E+016 -7.70000000E-001 +3.06600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.09000000E+045 -1.05200000E+001 +3.71900000E+004 /
PLOG /                           +1.00000000E-001 +8.30000000E+036 -7.69000000E+000 +3.56700000E+004 /
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PLOG /                           +1.00000000E+001 +1.30000000E+023 -3.06000000E+000 +3.24900000E+004 /
PLOG /                           +1.00000000E+002 +2.89000000E+019 -1.85000000E+000 +3.15900000E+004 /
PLOG /                           +1.00000000E+003 +1.33000000E+016 -7.70000000E-001 +3.06600000E+004 /
AC5H11<=>C4H8-1+CH3                               +3.61000000E+015 -5.70000000E-001 +3.26000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.50000000E+047 -1.13800000E+001 +3.95500000E+004 /
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PLOG /                           +1.00000000E+001 +3.20000000E+023 -3.17000000E+000 +3.46600000E+004 /
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PLOG /                           +1.00000000E+003 +3.61000000E+015 -5.70000000E-001 +3.26000000E+004 /
AC5H11<=>AC5H10+H                                 +2.15000000E+013 -1.40000000E-001 +3.55700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.12000000E+049 -1.25000000E+001 +4.29900000E+004 /
PLOG /                           +1.00000000E-001 +4.35000000E+041 -9.65000000E+000 +4.20700000E+004 /
PLOG /                           +1.00000000E+000 +1.51000000E+031 -6.06000000E+000 +3.99200000E+004 /
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PLOG /                           +1.00000000E+002 +8.57000000E+017 -1.62000000E+000 +3.68400000E+004 /
PLOG /                           +1.00000000E+003 +2.15000000E+013 -1.40000000E-001 +3.55700000E+004 /
AC5H11<=>BC5H10+H                                 +4.72000000E-008 +5.88000000E+000 +3.81500000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.09000000E+048 -1.25600000E+001 +4.47700000E+004 /
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PLOG /                           +1.00000000E+003 +4.72000000E-008 +5.88000000E+000 +3.81500000E+004 /
C2H4+IC3H7<=>C4H8-2+CH3                           +4.21000000E-026 +1.13200000E+001 +2.05500000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.39000000E+005 +1.87000000E+000 +1.72800000E+004 /
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PLOG /                           +1.00000000E+003 +4.21000000E-026 +1.13200000E+001 +2.05500000E+004 /
C2H4+IC3H7<=>IC4H8+CH3                            +2.19000000E-027 +1.14200000E+001 +1.86400000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.67000000E+007 +9.60000000E-001 +1.60600000E+004 /
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PLOG /                           +1.00000000E+003 +2.19000000E-027 +1.14200000E+001 +1.86400000E+004 /
C2H4+IC3H7<=>C4H8-1+CH3                           +1.55000000E-023 +1.03500000E+001 +1.69300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.37000000E+019 -2.53000000E+000 +1.75700000E+004 /
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C2H4+IC3H7<=>AC5H10+H                             +1.69000000E-029 +1.20000000E+001 +1.77100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.50000000E+006 +1.05000000E+000 +1.60200000E+004 /
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C2H4+IC3H7<=>BC5H10+H                             +5.20000000E-030 +1.22200000E+001 +2.04600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.70000000E-002 +3.50000000E+000 +1.60500000E+004 /
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PLOG /                           +1.00000000E+003 +5.20000000E-030 +1.22200000E+001 +2.04600000E+004 /
C4H8-2+CH3<=>IC4H8+CH3                            +1.48000000E-025 +1.11600000E+001 +2.03400000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.58000000E+013 -6.70000000E-001 +1.97100000E+004 /
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PLOG /                           +1.00000000E+003 +1.48000000E-025 +1.11600000E+001 +2.03400000E+004 /
C4H8-2+CH3<=>C3H6+C2H5                            +3.87000000E-026 +1.12500000E+001 +2.16100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.34000000E+010 +3.20000000E-001 +1.96600000E+004 /
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PLOG /                           +1.00000000E+003 +3.87000000E-026 +1.12500000E+001 +2.16100000E+004 /
C4H8-2+CH3<=>C4H8-1+CH3                           +4.39000000E-027 +1.15500000E+001 +2.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.07000000E+007 +1.25000000E+000 +1.96500000E+004 /
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C4H8-2+CH3<=>AC5H10+H                             +2.13000000E-028 +1.20100000E+001 +2.21700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.33000000E+005 +1.88000000E+000 +1.96000000E+004 /
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C4H8-2+CH3<=>BC5H10+H                             +2.50000000E-016 +8.36000000E+000 +1.48600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.47000000E+012 -1.30000000E-001 +1.76500000E+004 /
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PLOG /                           +1.00000000E+003 +2.50000000E-016 +8.36000000E+000 +1.48600000E+004 /
IC4H8+CH3<=>C3H6+C2H5                             +3.37000000E-021 +1.00400000E+001 +2.30500000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +7.79000000E+012 -2.50000000E-001 +2.05300000E+004 /
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PLOG /                           +1.00000000E+003 +3.37000000E-021 +1.00400000E+001 +2.30500000E+004 /
IC4H8+CH3<=>C4H8-1+CH3                            +3.41000000E-022 +1.03500000E+001 +2.37400000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.16000000E+009 +6.80000000E-001 +2.05600000E+004 /
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PLOG /                           +1.00000000E+003 +3.41000000E-022 +1.03500000E+001 +2.37400000E+004 /
IC4H8+CH3<=>AC5H10+H                              +3.46000000E-014 +8.12000000E+000 +1.55500000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.54000000E+011 +5.00000000E-001 +1.71800000E+004 /
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PLOG /                           +1.00000000E+003 +3.46000000E-014 +8.12000000E+000 +1.55500000E+004 /
IC4H8+CH3<=>BC5H10+H                              +3.75000000E-014 +7.84000000E+000 +1.47400000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.00000000E+013 -2.50000000E-001 +1.69700000E+004 /
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C3H6+C2H5<=>AC5H10+H                              +2.23000000E-017 +8.47000000E+000 +1.59100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+005 +1.80000000E+000 +1.63700000E+004 /
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C3H6+C2H5<=>BC5H10+H                              +2.03000000E-027 +1.13600000E+001 +2.14800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+003 +2.08000000E+000 +1.78600000E+004 /
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C4H8-1+CH3<=>AC5H10+H                             +1.15000000E-016 +8.35000000E+000 +1.52800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.28000000E+004 +2.12000000E+000 +1.52100000E+004 /
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C4H8-1+CH3<=>BC5H10+H                             +2.31000000E-026 +1.11200000E+001 +2.07900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.75000000E+002 +2.37000000E+000 +1.66400000E+004 /
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AC5H10+H<=>BC5H10+H                               +2.32000000E-011 +7.43000000E+000 +5.31000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.02000000E+011 +7.20000000E-001 +5.81100000E+003 /
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C5H11-1<=>C4H8-1+CH3                              +8.00419259E-009 +6.36187353E+000 +4.02527356E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.57621347E+063 -1.67990974E+001 +5.14850046E+004 /
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C5H11-1<=>C3H6+C2H5                               +1.40246177E-007 +5.87216531E+000 +3.05696938E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.89425921E+066 -1.70298640E+001 +4.66483294E+004 /
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C5H11-1<=>C2H4+NC3H7                              +2.85593298E+014 -2.04660703E-001 +3.15374630E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.47670520E+057 -1.44536836E+001 +4.30293257E+004 /
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C5H11-2<=>C4H8-1+CH3                              +1.40474508E-007 +6.15716924E+000 +4.32999820E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.04343767E+063 -1.69040912E+001 +5.44384901E+004 /
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C5H11-2<=>C3H6+C2H5                               +2.64404881E+013 +4.20152839E-002 +3.08164732E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.94784677E+061 -1.53952349E+001 +4.52389758E+004 /
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C5H11-2<=>C2H4+NC3H7                              +2.26866143E-005 +5.29449777E+000 +3.65856112E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.96615949E+048 -1.15565814E+001 +4.44082473E+004 /
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C5H11-3<=>C4H8-1+CH3                              +2.47138127E+012 +3.97614611E-001 +3.18326997E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.89712957E+061 -1.53913734E+001 +4.70601447E+004 /
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C5H11-3<=>C3H6+C2H5                               +2.11113289E-007 +6.05107402E+000 +4.20412741E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.74183863E+059 -1.54908132E+001 +5.20459397E+004 /
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C5H11-3<=>C2H4+NC3H7                              +1.78466305E-008 +6.25962743E+000 +4.35344881E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.23832571E+059 -1.56575691E+001 +5.32319959E+004 /
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C5H10-1+H<=>C5H11-1                               +1.65369349E+012 +4.39513414E-001 +3.80500164E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.34671024E+064 -1.70321080E+001 +1.68066357E+004 /
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C5H10-1+H<=>C5H11-2                               +2.77224587E+012 +4.35370677E-001 +2.47472339E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.44083294E+059 -1.54203092E+001 +1.40613184E+004 /
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C5H10-1+H<=>C5H11-3                               +7.03032357E-010 +6.83788245E+000 +9.73985760E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.44215498E+064 -1.73914548E+001 +2.07326598E+004 /
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C5H10-1+H<=>C5H10-2+H                             +1.21970567E-014 +8.42230129E+000 +6.17748467E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.13970471E+006 +2.19098257E+000 +4.47777098E+003 /
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C5H10-1+H<=>C4H8-1+CH3                            +4.91721421E-025 +1.17048906E+001 +1.30306326E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.63447126E+005 +2.21182528E+000 +6.22742346E+003 /
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C5H10-1+H<=>C3H6+C2H5                             +2.59477891E-010 +7.29466166E+000 +4.17482540E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.92200974E+013 +1.67953404E-002 +3.60611594E+003 /
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C5H10-1+H<=>C2H4+NC3H7                            +1.65688656E-009 +7.06138570E+000 +6.67510846E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.88242330E+013 +1.92609460E-001 +5.24809183E+003 /
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C3H6+C2H5<=>C4H8-1+CH3                            +5.91639257E-030 +1.26856042E+001 +2.35242461E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.28864537E+008 +9.94796567E-001 +1.88907766E+004 /
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C2H4+NC3H7<=>C4H8-1+CH3                           +1.46613849E-030 +1.28140051E+001 +2.15111348E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H10-2+H<=>C5H11-2                               +9.83690121E+011 +5.43352663E-001 +2.89321648E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H10-2+H<=>C5H11-3                               +3.19637288E+011 +6.77002961E-001 +2.74223362E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H10OOH2-1O2<=>C5H91-4,5OOH                      +2.94100000E+005 +1.50000000E+000 +1.99000000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10OOH2-3O2<=>C5H91-2,3OOH                      +1.43850000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: JB 13 / 05 / 2016 !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10OOH2-3O2<=>C5H92-3,4OOH                      +1.71600000E+009 +9.00000000E-001 +3.05000000E+004 !\Author: JB 13 / 05 / 2016 !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10OOH2-3O2<=>C5H91-3,4OOH                      +1.43850000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: JB 13 / 05 / 2016 !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10OOH2-4O2<=>C5H91-2,4OOH                      +1.23300000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
DUP
C5H10OOH2-4O2<=>C5H91-2,4OOH                      +7.29000000E+008 +1.10000000E+000 +3.35000000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
DUP
C5H10OOH2-4O2<=>C5H93-2,4OOH                      +1.71600000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10OOH2-5O2<=>C5H91-2,5OOH                      +2.94100000E+005 +1.50000000E+000 +1.99000000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10OOH2-5O2<=>C5H93-1,4OOH                      +1.36000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10OOH2-5O2<=>C5H92-1,4OOH                      +4.00900000E+008 +1.10000000E+000 +3.01000000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10OOH3-1O2<=>C5H92-1,3OOH                      +4.00900000E+008 +1.10000000E+000 +3.01000000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10OOH3-1O2<=>C5H92-3,5OOH                      +3.71800000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10OOH3-1O2<=>C5H91-3,5OOH                      +2.94100000E+005 +1.50000000E+000 +1.99000000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10OOH3-2O2<=>C5H91-2,3OOH                      +7.29000000E+008 +1.10000000E+000 +3.35000000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10OOH3-2O2<=>C5H92-3,4OOH                      +7.03300000E+010 +2.00000000E-001 +1.85000000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10OOH3-2O2<=>C5H91-3,4OOH                      +1.23300000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>RO2
!___________________________________________________________________________________________________________ 
C5H11-1+O2<=>C5H11O2-1                            +6.86500000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: JB !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: WARNING 
C5H11-2+O2<=>C5H11O2-2                            +3.48700000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: JB !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: WARNING 
C5H11-3+O2<=>C5H11O2-3                            +3.48700000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: JB !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: O2QOOH<=>KHP+OH
!___________________________________________________________________________________________________________ 
C5H10OOH1-2O2<=>NC5KET12+OH                       +2.44100000E+007 +1.60000000E+000 +2.79000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C5H10OOH1-3O2<=>NC5KET13+OH                       +1.09800000E+004 +2.40000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C5H10OOH1-4O2<=>NC5KET14+OH                       +1.25600000E+003 +2.20000000E+000 +1.74000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C5H10OOH1-5O2<=>NC5KET15+OH                       +1.11500000E+003 +1.80000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C5H10OOH2-1O2<=>NC5KET21+OH                       +2.76300000E+008 +1.20000000E+000 +2.57000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C5H10OOH2-3O2<=>NC5KET23+OH                       +1.74800000E+008 +1.70000000E+000 +2.60000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C5H10OOH2-4O2<=>NC5KET24+OH                       +1.75400000E+002 +3.10000000E+000 +1.75000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C5H10OOH2-5O2<=>NC5KET25+OH                       +3.76800000E+002 +2.20000000E+000 +1.53000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C5H10OOH3-1O2<=>NC5KET31+OH                       +5.78600000E+001 +2.90000000E+000 +1.70000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C5H10OOH3-2O2<=>NC5KET32+OH                       +1.74800000E+008 +1.70000000E+000 +2.60000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C5H11-1+HO2<=>C5H11O-1+OH                         +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: JB !\Ref: HJC ESTIMATE BASED ON CH3+HO2<=>PRODUCTS !\Comment: REF IS WHAT IS WRITTEN FOR REACTIONS OF C2H5 WITH HO2 AND CH3O2 
C5H11-2+HO2<=>C5H11O-2+OH                         +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: JB !\Ref: HJC ESTIMATE BASED ON CH3+HO2<=>PRODUCTS !\Comment: REF IS WHAT IS WRITTEN FOR REACTIONS OF C2H5 WITH HO2 AND CH3O2 
C5H11-3+HO2<=>C5H11O-3+OH                         +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: JB !\Ref: HJC ESTIMATE BASED ON CH3+HO2<=>PRODUCTS !\Comment: REF IS WHAT IS WRITTEN FOR REACTIONS OF C2H5 WITH HO2 AND CH3O2 
C5H11-1+CH3O2<=>C5H11O-1+CH3O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: JB !\Ref: HJC ESTIMATE BASED ON CH3+HO2<=>PRODUCTS !\Comment: REF IS WHAT IS WRITTEN FOR REACTIONS OF C2H5 WITH HO2 AND CH3O2 
C5H11-2+CH3O2<=>C5H11O-2+CH3O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: JB !\Ref: HJC ESTIMATE BASED ON CH3+HO2<=>PRODUCTS !\Comment: REF IS WHAT IS WRITTEN FOR REACTIONS OF C2H5 WITH HO2 AND CH3O2 
C5H11-3+CH3O2<=>C5H11O-3+CH3O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: JB !\Ref: HJC ESTIMATE BASED ON CH3+HO2<=>PRODUCTS !\Comment: REF IS WHAT IS WRITTEN FOR REACTIONS OF C2H5 WITH HO2 AND CH3O2 
C5H11-1+C5H11O2-1<=>C5H11O-1+C5H11O-1             +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: JB !\Ref: HJC ESTIMATE BASED ON CH3+HO2<=>PRODUCTS !\Comment: REF IS WHAT IS WRITTEN FOR REACTIONS OF C2H5 WITH HO2 AND CH3O2 
C5H11-1+C5H11O2-2<=>C5H11O-1+C5H11O-2             +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: JB !\Ref: HJC ESTIMATE BASED ON CH3+HO2<=>PRODUCTS !\Comment: REF IS WHAT IS WRITTEN FOR REACTIONS OF C2H5 WITH HO2 AND CH3O2 
C5H11-1+C5H11O2-3<=>C5H11O-1+C5H11O-3             +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: JB !\Ref: HJC ESTIMATE BASED ON CH3+HO2<=>PRODUCTS !\Comment: REF IS WHAT IS WRITTEN FOR REACTIONS OF C2H5 WITH HO2 AND CH3O2 
C5H11-2+C5H11O2-1<=>C5H11O-2+C5H11O-1             +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: JB !\Ref: HJC ESTIMATE BASED ON CH3+HO2<=>PRODUCTS !\Comment: REF IS WHAT IS WRITTEN FOR REACTIONS OF C2H5 WITH HO2 AND CH3O2 
C5H11-2+C5H11O2-2<=>C5H11O-2+C5H11O-2             +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: JB !\Ref: HJC ESTIMATE BASED ON CH3+HO2<=>PRODUCTS !\Comment: REF IS WHAT IS WRITTEN FOR REACTIONS OF C2H5 WITH HO2 AND CH3O2 
C5H11-2+C5H11O2-3<=>C5H11O-2+C5H11O-3             +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: JB !\Ref: HJC ESTIMATE BASED ON CH3+HO2<=>PRODUCTS !\Comment: REF IS WHAT IS WRITTEN FOR REACTIONS OF C2H5 WITH HO2 AND CH3O2 
C5H11-3+C5H11O2-1<=>C5H11O-3+C5H11O-1             +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: JB !\Ref: HJC ESTIMATE BASED ON CH3+HO2<=>PRODUCTS !\Comment: REF IS WHAT IS WRITTEN FOR REACTIONS OF C2H5 WITH HO2 AND CH3O2 
C5H11-3+C5H11O2-2<=>C5H11O-3+C5H11O-2             +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: JB !\Ref: HJC ESTIMATE BASED ON CH3+HO2<=>PRODUCTS !\Comment: REF IS WHAT IS WRITTEN FOR REACTIONS OF C2H5 WITH HO2 AND CH3O2 
C5H11-3+C5H11O2-3<=>C5H11O-3+C5H11O-3             +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: JB !\Ref: HJC ESTIMATE BASED ON CH3+HO2<=>PRODUCTS !\Comment: REF IS WHAT IS WRITTEN FOR REACTIONS OF C2H5 WITH HO2 AND CH3O2 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: O2QOOH+O2QOOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C5H10OOH1-3O2+C5H10OOH1-3O2=>NC5KET31+C5H10OOH1-3OH+O2 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: JB !\Ref: WARNING !\Comment: SAME RATE CONSTANT AS CH3O2+CH3O2=>CH3O+CH3O+O2 WHICH IS REFERENCED AS P. D. LIGHTFOOT, P. ROUSSEL, F. CARALP, R. LESCLAUX, J. CHEM. SOC. 
C5H10OOH1-3O2+C5H10OOH2-4O2=>NC5KET31+C5H10OOH2-4OH+O2 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: JB !\Ref: WARNING !\Comment: SAME RATE CONSTANT AS CH3O2+CH3O2=>CH3O+CH3O+O2 WHICH IS REFERENCED AS P. D. LIGHTFOOT, P. ROUSSEL, F. CARALP, R. LESCLAUX, J. CHEM. SOC. 
C5H10OOH1-3O2+C5H10OOH2-4O2=>NC5KET24+C5H10OOH1-3OH+O2 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: JB !\Ref: WARNING !\Comment: SAME RATE CONSTANT AS CH3O2+CH3O2=>CH3O+CH3O+O2 WHICH IS REFERENCED AS P. D. LIGHTFOOT, P. ROUSSEL, F. CARALP, R. LESCLAUX, J. CHEM. SOC. 
C5H10OOH1-3O2+C5H10OOH3-1O2=>NC5KET31+C5H10OOH3-1OH+O2 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: JB !\Ref: WARNING !\Comment: SAME RATE CONSTANT AS CH3O2+CH3O2=>CH3O+CH3O+O2 WHICH IS REFERENCED AS P. D. LIGHTFOOT, P. ROUSSEL, F. CARALP, R. LESCLAUX, J. CHEM. SOC. 
C5H10OOH1-3O2+C5H10OOH3-1O2=>NC5KET13+C5H10OOH1-3OH+O2 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: JB !\Ref: WARNING !\Comment: SAME RATE CONSTANT AS CH3O2+CH3O2=>CH3O+CH3O+O2 WHICH IS REFERENCED AS P. D. LIGHTFOOT, P. ROUSSEL, F. CARALP, R. LESCLAUX, J. CHEM. SOC. 
C5H10OOH2-4O2+C5H10OOH2-4O2=>NC5KET24+C5H10OOH2-4OH+O2 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: JB !\Ref: WARNING !\Comment: SAME RATE CONSTANT AS CH3O2+CH3O2=>CH3O+CH3O+O2 WHICH IS REFERENCED AS P. D. LIGHTFOOT, P. ROUSSEL, F. CARALP, R. LESCLAUX, J. CHEM. SOC. 
C5H10OOH2-4O2+C5H10OOH3-1O2=>NC5KET24+C5H10OOH3-1OH+O2 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: JB !\Ref: WARNING !\Comment: SAME RATE CONSTANT AS CH3O2+CH3O2=>CH3O+CH3O+O2 WHICH IS REFERENCED AS P. D. LIGHTFOOT, P. ROUSSEL, F. CARALP, R. LESCLAUX, J. CHEM. SOC. 
C5H10OOH2-4O2+C5H10OOH3-1O2=>NC5KET13+C5H10OOH2-4OH+O2 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: JB !\Ref: WARNING !\Comment: SAME RATE CONSTANT AS CH3O2+CH3O2=>CH3O+CH3O+O2 WHICH IS REFERENCED AS P. D. LIGHTFOOT, P. ROUSSEL, F. CARALP, R. LESCLAUX, J. CHEM. SOC. 
C5H10OOH3-1O2+C5H10OOH3-1O2=>NC5KET13+C5H10OOH3-1OH+O2 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: JB !\Ref: WARNING !\Comment: SAME RATE CONSTANT AS CH3O2+CH3O2=>CH3O+CH3O+O2 WHICH IS REFERENCED AS P. D. LIGHTFOOT, P. ROUSSEL, F. CARALP, R. LESCLAUX, J. CHEM. SOC. 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>QOOH
!___________________________________________________________________________________________________________ 
C5H11O2-1<=>C5H10OOH1-2                           +4.00900000E+008 +1.10000000E+000 +3.01000000E+004 !\Author: JB !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN, J. PHYS. CHEM. A, 114, 2010, 5689-5701 !\Comment: WARNING 
C5H11O2-1<=>C5H10OOH1-3                           +1.36000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: JB !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN, J. PHYS. CHEM. A, 114, 2010, 5689-5701 !\Comment: WARNING 
C5H11O2-1<=>C5H10OOH1-4                           +3.71800000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: JB !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN, J. PHYS. CHEM. A, 114, 2010, 5689-5701 !\Comment: WARNING 
C5H11O2-1<=>C5H10OOH1-5                           +2.94100000E+005 +1.50000000E+000 +1.99000000E+004 !\Author: JB !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN, J. PHYS. CHEM. A, 114, 2010, 5689-5701 !\Comment: WARNING 
C5H11O2-2<=>C5H10OOH2-1                           +7.29000000E+008 +1.10000000E+000 +3.35000000E+004 !\Author: JB !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN, J. PHYS. CHEM. A, 114, 2010, 5689-5701 !\Comment: WARNING 
C5H11O2-2<=>C5H10OOH2-3                           +1.71600000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: JB !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN, J. PHYS. CHEM. A, 114, 2010, 5689-5701 !\Comment: WARNING 
C5H11O2-2<=>C5H10OOH2-4                           +7.03300000E+010 +2.00000000E-001 +1.95000000E+004 !\Author: JB !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN, J. PHYS. CHEM. A, 114, 2010, 5689-5701 !\Comment: WARNING 
C5H11O2-2<=>C5H10OOH2-5                           +6.17000000E+005 +1.50000000E+000 +2.00000000E+004 !\Author: JB !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN, J. PHYS. CHEM. A, 114, 2010, 5689-5701 !\Comment: WARNING 
C5H11O2-3<=>C5H10OOH3-1                           +2.87700000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: JB !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN, J. PHYS. CHEM. A, 114, 2010, 5689-5701 !\Comment: WARNING 
C5H11O2-3<=>C5H10OOH3-2                           +3.43200000E+009 +9.00000000E-001 +3.05000000E+004 !\Author: JB !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN, J. PHYS. CHEM. A, 114, 2010, 5689-5701 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: POOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C5H91-3,4OOH=>C3KET12+C2H4+OH                     +3.09600000E+018 -1.73000000E+000 +2.68200000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H91-3,5OOH=>C3KET13+C2H4+OH                     +3.09600000E+018 -1.73000000E+000 +2.68200000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H91-4,5OOH=>AC3H5OOH+C2H4+HO2                   +6.86000000E+013 +1.00000000E-001 +2.90000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H92-1,4OOH=>AC3H5OOH+CH3CHO+OH                  +2.41000000E+010 +1.02000000E+000 +2.82000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H92-1,5OOH<=>AC3H5OOH+C2H4O2H                   +2.41000000E+010 +1.02000000E+000 +2.82000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H92-4,5OOH=>HO2CH2CHO+C3H6+OH                   +1.18000000E+009 +1.20000000E+000 +2.27000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H93-1,4OOH=>CH2O+C4H71-3OOH+OH                  +9.10000000E+008 +1.40000000E+000 +2.55000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H93-1,5OOH=>CH2O+C4H71-4OOH+OH                  +1.82000000E+009 +1.40000000E+000 +2.55000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C5H11O2-1<=>PC4H9CHO+OH                           +1.98400000E+009 +1.20000000E+000 +3.97000000E+004 !\Author: JB !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN, J. PHYS. CHEM. A, 114, 2010, 5689-5701 !\Comment: WARNING 
C5H11O2-2<=>NC3H7COCH3+OH                         +5.30000000E+009 +1.00000000E+000 +3.85000000E+004 !\Author: JB !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN, J. PHYS. CHEM. A, 114, 2010, 5689-5701 !\Comment: WARNING 
C5H11O2-3<=>C2H5COC2H5+OH                         +5.30000000E+009 +1.00000000E+000 +3.85000000E+004 !\Author: JB !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN, J. PHYS. CHEM. A, 114, 2010, 5689-5701 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: KHP_HOMOLYTIC_FISSION
!___________________________________________________________________________________________________________ 
NC5KET12<=>NC5KET12O+OH                           +1.05000000E+016 +0.00000000E+000 +4.26000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5KET13<=>NC5KET13O+OH                           +1.05000000E+016 +0.00000000E+000 +4.26000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5KET14<=>NC5KET14O+OH                           +1.05000000E+016 +0.00000000E+000 +4.26000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5KET15<=>NC5KET15O+OH                           +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5KET21<=>NC5KET21O+OH                           +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5KET23<=>NC5KET23O+OH                           +1.05000000E+016 +0.00000000E+000 +4.26000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5KET24<=>NC5KET24O+OH                           +1.05000000E+016 +0.00000000E+000 +4.26000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5KET25<=>NC5KET25O+OH                           +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5KET31<=>NC5KET31O+OH                           +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5KET32<=>NC5KET32O+OH                           +1.05000000E+016 +0.00000000E+000 +4.26000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>ALKENE+HO2
!___________________________________________________________________________________________________________ 
C5H11O2-1<=>C5H10-1+HO2                           +3.87000000E+007 +1.58000000E+000 +2.85000000E+004 !\Author: JB !\Ref: S. M. VILLANO, L. K. HUYNH, H. -H. CARSTENSEN, A. M. DEAN, J. PHYS. CHEM. A, 115, 2011, 13425-13442 !\Comment: WARNING 
C5H11O2-2<=>C5H10-1+HO2                           +3.60500000E+009 +1.13000000E+000 +3.01000000E+004 !\Author: JB !\Ref: S. M. VILLANO, L. K. HUYNH, H. -H. CARSTENSEN, A. M. DEAN, J. PHYS. CHEM. A, 115, 2011, 13425-13442 !\Comment: WARNING 
C5H11O2-2<=>C5H10-2+HO2                           +5.14000000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: JB !\Ref: S. M. VILLANO, L. K. HUYNH, H. -H. CARSTENSEN, A. M. DEAN, J. PHYS. CHEM. A, 115, 2011, 13425-13442 !\Comment: WARNING 
C5H11O2-3<=>C5H10-2+HO2                           +7.20000000E+010 +7.30000000E-001 +3.08830000E+004 !\Author: JB !\Ref: S. M. VILLANO, L. K. HUYNH, H. -H. CARSTENSEN, A. M. DEAN, J. PHYS. CHEM. A, 115, 2011, 13425-13442 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: ALKENE+HO2<=>CYCETH+OH
!___________________________________________________________________________________________________________ 
C5H10-1+HO2<=>C5H10O1-2+OH                        +2.73000000E+021 -2.51000000E+000 +2.78570000E+004 !\Author: WARNING !\Ref: ZADOR, J., KLIPPENSTEIN, S. J., & MILLER, J. A.(2011). THE JOURNAL OF PHYSICAL CHEMISTRY A, 115(36), 10218-10225. !\Comment: WARNING 
C5H10-2+HO2<=>C5H10O2-3+OH                        +8.37000000E+020 -2.28314000E+000 +2.28380000E+004 !\Author: WARNING !\Ref: ZADOR, J., KLIPPENSTEIN, S. J., & MILLER, J. A.(2011). THE JOURNAL OF PHYSICAL CHEMISTRY A, 115(36), 10218-10225. !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
NC5KET12O<=>NC3H7CHO+HCO                          +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: O. HERBINET ET AL. COMBUST. FLAME 2012, 159, 3455-3471 !\Comment: WARNING 
NC5KET13O<=>C2H5CHO+CH2CHO                        +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: O. HERBINET ET AL. COMBUST. FLAME 2012, 159, 3455-3471 !\Comment: WARNING 
NC5KET14O<=>CH3CHO+CH2CH2CHO                      +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: O. HERBINET ET AL. COMBUST. FLAME 2012, 159, 3455-3471 !\Comment: WARNING 
NC5KET15O<=>CH2O+C3H6CHO-3                        +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: O. HERBINET ET AL. COMBUST. FLAME 2012, 159, 3455-3471 !\Comment: WARNING 
NC5KET21O<=>CH2O+NC3H7CO                          +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: O. HERBINET ET AL. COMBUST. FLAME 2012, 159, 3455-3471 !\Comment: WARNING 
NC5KET23O<=>C2H5CHO+CH3CO                         +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: O. HERBINET ET AL. COMBUST. FLAME 2012, 159, 3455-3471 !\Comment: WARNING 
NC5KET24O<=>CH3CHO+CH3COCH2                       +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: O. HERBINET ET AL. COMBUST. FLAME 2012, 159, 3455-3471 !\Comment: WARNING 
NC5KET25O<=>CH2O+CH2CH2COCH3                      +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: O. HERBINET ET AL. COMBUST. FLAME 2012, 159, 3455-3471 !\Comment: WARNING 
NC5KET31O<=>C2H5COCH2+CH2O                        +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: O. HERBINET ET AL. COMBUST. FLAME 2012, 159, 3455-3471 !\Comment: WARNING 
NC5KET32O<=>CH3CHO+C2H5CO                         +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: O. HERBINET ET AL. COMBUST. FLAME 2012, 159, 3455-3471 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: KHP_KORCEK
!___________________________________________________________________________________________________________ 
NC5KET13<=>NC5CYCPER13                            +2.10000000E+008 +0.00000000E+000 +2.80000000E+004 !\Author: JB !\Ref: A. JALAN ET AL., J. AM. CHEM. SOC., 2013, 135, 11100-11114 !\Comment: WARNING 
NC5KET24<=>NC5CYCPER24                            +2.10000000E+008 +0.00000000E+000 +2.80000000E+004 !\Author: JB !\Ref: A. JALAN ET AL., J. AM. CHEM. SOC., 2013, 135, 11100-11114 !\Comment: WARNING 
NC5KET31<=>NC5CYCPER31                            +2.10000000E+008 +0.00000000E+000 +2.80000000E+004 !\Author: JB !\Ref: A. JALAN ET AL., J. AM. CHEM. SOC., 2013, 135, 11100-11114 !\Comment: WARNING 
NC5CYCPER13<=>HOCHO+C2H5COCH3                     +3.40000000E+013 +0.00000000E+000 +3.44000000E+004 !\Author: JB !\Ref: A. JALAN ET AL., J. AM. CHEM. SOC., 2013, 135, 11100-11114 !\Comment: WARNING 
NC5CYCPER13<=>CH3COOH+C2H5CHO                     +3.70000000E+013 +0.00000000E+000 +3.68000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC5CYCPER24<=>CH3COOH+CH3COCH3                    +3.40000000E+013 +0.00000000E+000 +3.44000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC5CYCPER31<=>C2H5COOH+CH3CHO                     +3.40000000E+013 +0.00000000E+000 +3.44000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C5H11O2-1+CH3O2=>C5H11O-1+CH3O+O2                 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: JB !\Ref: WARNING !\Comment: SAME RATE CONSTANT AS CH3O2+CH3O2=>CH3O+CH3O+O2 WHICH IS REFERENCED AS P. D. LIGHTFOOT, P. ROUSSEL, F. CARALP, R. LESCLAUX, J. CHEM. SOC. FARAD 
C5H11O2-2+CH3O2=>C5H11O-2+CH3O+O2                 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: JB !\Ref: WARNING !\Comment: SAME RATE CONSTANT AS CH3O2+CH3O2=>CH3O+CH3O+O2 WHICH IS REFERENCED AS P. D. LIGHTFOOT, P. ROUSSEL, F. CARALP, R. LESCLAUX, J. CHEM. SOC. FARAD 
C5H11O2-3+CH3O2=>C5H11O-3+CH3O+O2                 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: JB !\Ref: WARNING !\Comment: SAME RATE CONSTANT AS CH3O2+CH3O2=>CH3O+CH3O+O2 WHICH IS REFERENCED AS P. D. LIGHTFOOT, P. ROUSSEL, F. CARALP, R. LESCLAUX, J. CHEM. SOC. FARAD 
C5H11O2-1+C5H11O2-1=>C5H11O-1+C5H11O-1+O2         +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: JB !\Ref: WARNING !\Comment: WARNING 
C5H11O2-1+C5H11O2-2=>C5H11O-1+C5H11O-2+O2         +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: JB !\Ref: WARNING !\Comment: WARNING 
C5H11O2-1+C5H11O2-3=>C5H11O-1+C5H11O-3+O2         +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: JB !\Ref: WARNING !\Comment: WARNING 
C5H11O2-2+C5H11O2-2=>C5H11O-2+C5H11O-2+O2         +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: JB !\Ref: WARNING !\Comment: WARNING 
C5H11O2-2+C5H11O2-3=>C5H11O-2+C5H11O-3+O2         +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: JB !\Ref: WARNING !\Comment: WARNING 
C5H11O2-3+C5H11O2-3=>C5H11O-3+C5H11O-3+O2         +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: JB !\Ref: WARNING !\Comment: WARNING 
C5H11O2-1+CH3O2=>PC4H9CHO+CH3OH+O2                +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: JB !\Ref: WARNING !\Comment: SAME RATE CONSTANT AS CH3O2+CH3O2=>CH3O+CH3O+O2 WHICH IS REFERENCED AS P. D. LIGHTFOOT, P. ROUSSEL, F. CARALP, R. LESCLAUX, J. CHEM. SOC. FARAD 
C5H11O2-1+CH3O2=>NC5H11OH+CH2O+O2                 +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: JB !\Ref: WARNING !\Comment: SAME RATE CONSTANT AS CH3O2+CH3O2=>CH3O+CH3O+O2 WHICH IS REFERENCED AS P. D. LIGHTFOOT, P. ROUSSEL, F. CARALP, R. LESCLAUX, J. CHEM. SOC. FARAD 
C5H11O2-2+CH3O2=>NC3H7COCH3+CH3OH+O2              +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: JB !\Ref: WARNING !\Comment: SAME RATE CONSTANT AS CH3O2+CH3O2=>CH3O+CH3O+O2 WHICH IS REFERENCED AS P. D. LIGHTFOOT, P. ROUSSEL, F. CARALP, R. LESCLAUX, J. CHEM. SOC. FARAD 
C5H11O2-3+CH3O2=>C2H5COC2H5+CH3OH+O2              +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: JB !\Ref: WARNING !\Comment: SAME RATE CONSTANT AS CH3O2+CH3O2=>CH3O+CH3O+O2 WHICH IS REFERENCED AS P. D. LIGHTFOOT, P. ROUSSEL, F. CARALP, R. LESCLAUX, J. CHEM. SOC. FARAD 
C5H11O2-1+C2H5O2=>PC4H9CHO+C2H5OH+O2              +3.50000000E+015 -1.61000000E+000 +1.86000000E+003 !\Author: JB !\Ref: WARNING !\Comment: SAME RATE CONSTANT AS CH3O2+CH3O2=>CH3O+CH3O+O2 WHICH IS REFERENCED AS P. D. LIGHTFOOT, P. ROUSSEL, F. CARALP, R. LESCLAUX, J. CHEM. SOC. FARAD 
C5H11O2-1+C2H5O2=>NC5H11OH+CH3CHO+O2              +3.50000000E+015 -1.61000000E+000 +1.86000000E+003 !\Author: JB !\Ref: WARNING !\Comment: SAME RATE CONSTANT AS CH3O2+CH3O2=>CH3O+CH3O+O2 WHICH IS REFERENCED AS P. D. LIGHTFOOT, P. ROUSSEL, F. CARALP, R. LESCLAUX, J. CHEM. SOC. FARAD 
C5H11O2-2+C2H5O2=>NC3H7COCH3+C2H5OH+O2            +3.50000000E+015 -1.61000000E+000 +1.86000000E+003 !\Author: JB !\Ref: WARNING !\Comment: SAME RATE CONSTANT AS CH3O2+CH3O2=>CH3O+CH3O+O2 WHICH IS REFERENCED AS P. D. LIGHTFOOT, P. ROUSSEL, F. CARALP, R. LESCLAUX, J. CHEM. SOC. FARAD 
C5H11O2-3+C2H5O2=>C2H5COC2H5+C2H5OH+O2            +3.50000000E+015 -1.61000000E+000 +1.86000000E+003 !\Author: JB !\Ref: WARNING !\Comment: SAME RATE CONSTANT AS CH3O2+CH3O2=>CH3O+CH3O+O2 WHICH IS REFERENCED AS P. D. LIGHTFOOT, P. ROUSSEL, F. CARALP, R. LESCLAUX, J. CHEM. SOC. FARAD 
C5H11O2-1+C5H11O2-1=>PC4H9CHO+NC5H11OH+O2         +3.50000000E+015 -1.61000000E+000 +1.86000000E+003 !\Author: JB !\Ref: WARNING !\Comment: SAME RATE CONSTANT AS CH3O2+CH3O2=>CH3O+CH3O+O2 WHICH IS REFERENCED AS P. D. LIGHTFOOT, P. ROUSSEL, F. CARALP, R. LESCLAUX, J. CHEM. SOC. FARAD 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: OHQOOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C5H10OOH1-3OH=>CH2O+SC4H8OH-1+OH                  +1.00000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: JB !\Ref: H. J. CURRAN, P. GAFFURI, W. J. PITZ, C. K. WESTBROOK, COMBUST. FLAME, 1998, 114, 149-177 !\Comment: ASSUMED TO BE THE SAME AS SIMPLE FISSION OF O-O BOND 
C5H10OOH2-4OH=>CH3CHO+C3H6OH2-1+OH                +1.00000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: JB !\Ref: H. J. CURRAN, P. GAFFURI, W. J. PITZ, C. K. WESTBROOK, COMBUST. FLAME, 1998, 114, 149-177 !\Comment: ASSUMED TO BE THE SAME AS SIMPLE FISSION OF O-O BOND 
C5H10OOH3-1OH=>C2H5CHO+PC2H4OH+OH                 +1.00000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: JB !\Ref: H. J. CURRAN, P. GAFFURI, W. J. PITZ, C. K. WESTBROOK, COMBUST. FLAME, 1998, 114, 149-177 !\Comment: ASSUMED TO BE THE SAME AS SIMPLE FISSION OF O-O BOND 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: DIONE+R<=>PRODUCTS
!___________________________________________________________________________________________________________ 
NC5KET13+OH=>NC5DIONE13+OH+H2O                    +1.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: JB !\Ref: ESTIMATED TO BE 1E+12 PER H-ATOM BY JB !\Comment: ONLY ABSTRACTIONS BY OH ARE CONSIDERED FOR NOW AS THIS IS EXPECTED TO BE THE DOMINANT ABSTRACTOR ATLOW 
NC5KET24+OH=>NC5DIONE24+OH+H2O                    +1.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: JB !\Ref: ESTIMATED TO BE 1E+12 PER H-ATOM BY JB !\Comment: ONLY ABSTRACTIONS BY OH ARE CONSIDERED FOR NOW AS THIS IS EXPECTED TO BE THE DOMINANT ABSTRACTOR ATLOW 
NC5KET31+OH=>NC5DIONE13+OH+H2O                    +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: JB !\Ref: ESTIMATED TO BE 1E+12 PER H-ATOM BY JB !\Comment: ONLY ABSTRACTIONS BY OH ARE CONSIDERED FOR NOW AS THIS IS EXPECTED TO BE THE DOMINANT ABSTRACTOR ATLOW 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: POOH<=>ALKENEKHP+HO2
!___________________________________________________________________________________________________________ 
C5H91-2,3OOH<=>C5H91-3OOH+HO2                     +2.21000000E+012 +2.30000000E-001 +1.56000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H91-2,4OOH<=>C5H91-4OOH+HO2                     +2.21000000E+012 +2.30000000E-001 +1.56000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H91-2,5OOH<=>C5H91-5OOH+HO2                     +2.21000000E+012 +2.30000000E-001 +1.56000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H92-1,3OOH<=>C5H91-3OOH+HO2                     +1.04000000E+010 +9.40000000E-001 +1.51000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H92-1,3OOH<=>C5H92-1OOH+HO2                     +4.06600000E+010 +6.78000000E-001 +1.50340000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H92-1,4OOH<=>C5H91-4OOH+HO2                     +1.04000000E+010 +9.40000000E-001 +1.51000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H92-1,5OOH<=>C5H91-5OOH+HO2                     +1.04000000E+010 +9.40000000E-001 +1.51000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H92-3,4OOH<=>C5H92-4OOH+HO2                     +4.06600000E+010 +6.78000000E-001 +1.50340000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H92-3,5OOH<=>C5H92-5OOH+HO2                     +4.06600000E+010 +6.78000000E-001 +1.50340000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H93-1,2OOH<=>C5H92-1OOH+HO2                     +4.54300000E+010 +7.51000000E-001 +1.51000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H93-1,4OOH<=>C5H92-5OOH+HO2                     +4.54300000E+010 +7.51000000E-001 +1.51000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H93-2,4OOH<=>C5H92-4OOH+HO2                     +9.08600000E+010 +7.51000000E-001 +1.51000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: POOH<=>CETH-OOH+OH
!___________________________________________________________________________________________________________ 
C5H91-2,3OOH<=>C5H9O1-2OOH-3+OH                   +3.55000000E+012 +0.00000000E+000 +1.23724300E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H91-2,3OOH<=>C5H9O1-3OOH-2+OH                   +6.34000000E+011 +0.00000000E+000 +1.73726800E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H91-2,4OOH<=>C5H9O1-2OOH-4+OH                   +3.55000000E+012 +0.00000000E+000 +1.23724300E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H91-2,4OOH<=>C5H9O1-4OOH-2+OH                   +6.34000000E+011 +0.00000000E+000 +2.14836000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H91-2,5OOH<=>C5H9O1-2OOH-5+OH                   +3.55000000E+012 +0.00000000E+000 +1.23724300E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H91-2,5OOH<=>C5H9O1-5OOH-2+OH                   +1.04000000E+010 +0.00000000E+000 +1.19580200E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H91-3,4OOH<=>C5H9O1-3OOH-4+OH                   +6.34000000E+011 +0.00000000E+000 +1.73346800E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H91-3,4OOH<=>C5H9O1-4OOH-3+OH                   +2.77000000E+010 +0.00000000E+000 +1.15735400E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H91-3,5OOH<=>C5H9O1-3OOH-5+OH                   +6.34000000E+011 +0.00000000E+000 +1.73346800E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H91-3,5OOH<=>C5H9O1-5OOH-3+OH                   +1.04000000E+010 +0.00000000E+000 +1.19170200E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H91-4,5OOH<=>C5H9O1-4OOH-5+OH                   +2.77000000E+010 +0.00000000E+000 +1.15735400E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H91-4,5OOH<=>C5H9O1-5OOH-2+OH                   +1.04000000E+010 +0.00000000E+000 +1.19170200E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H92-1,3OOH<=>C5H9O1-2OOH-3+OH                   +3.55000000E+012 +0.00000000E+000 +1.07135200E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H92-1,3OOH<=>C5H9O2-3OOH-1+OH                   +1.78000000E+012 +0.00000000E+000 +1.27014200E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H92-1,4OOH<=>C5H9O1-2OOH-4+OH                   +3.55000000E+012 +0.00000000E+000 +1.07135200E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H92-1,4OOH<=>C5H9O2-4OOH-1+OH                   +6.34000000E+011 +0.00000000E+000 +1.73231200E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H92-1,5OOH<=>C5H9O1-2OOH-5+OH                   +3.55000000E+012 +0.00000000E+000 +1.07147300E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H92-1,5OOH<=>C5H9O1-4OOH-5+OH                   +2.77000000E+010 +0.00000000E+000 +1.00687400E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H92-3,4OOH<=>C5H9O2-3OOH-4+OH                   +1.78000000E+012 +0.00000000E+000 +1.27014200E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H92-3,4OOH<=>C5H9O2-4OOH-3+OH                   +6.34000000E+011 +0.00000000E+000 +1.73238800E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H92-3,5OOH<=>C5H9O2-3OOH-5+OH                   +1.78000000E+012 +0.00000000E+000 +1.27014200E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H92-3,5OOH<=>C5H9O1-4OOH-3+OH                   +2.77000000E+010 +0.00000000E+000 +1.00676000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H92-4,5OOH<=>C5H9O2-4OOH-1+OH                   +6.34000000E+011 +0.00000000E+000 +1.76126800E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H92-4,5OOH<=>C5H9O1-4OOH-2+OH                   +2.77000000E+010 +0.00000000E+000 +1.05019400E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H93-1,2OOH<=>C5H9O1-3OOH-2+OH                   +9.51000000E+011 +0.00000000E+000 +1.63307200E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H93-1,2OOH<=>C5H9O2-3OOH-1+OH                   +1.78000000E+012 +0.00000000E+000 +1.27014200E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H93-1,4OOH<=>C5H9O1-3OOH-4+OH                   +9.51000000E+011 +0.00000000E+000 +1.63307200E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H93-1,4OOH<=>C5H9O2-3OOH-5+OH                   +1.78000000E+012 +0.00000000E+000 +1.27014200E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H93-1,5OOH<=>C5H9O1-3OOH-5+OH                   +9.51000000E+011 +0.00000000E+000 +1.66202800E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H93-2,4OOH<=>C5H9O2-3OOH-4+OH                   +1.78000000E+012 +0.00000000E+000 +1.27014200E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: CETH-OOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C5H9O1-2OOH-3=>C2H5CHO+CH2CHO+OH                  +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9O1-3OOH-2=>C2H5CHO+CH2CHO+OH                  +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9O1-3OOH-2=>CH2O+C3H6CHO-1+OH                  +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9O1-2OOH-4=>CH3CHO+C3H5O+OH                    +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9O1-4OOH-2=>CH2O+C3H6CHO-2+OH                  +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9O1-4OOH-2=>C3H6+OCH2CHO+OH                    +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9O1-2OOH-5<=>C5H9O1-2O-5+OH                    +4.15100000E+019 -1.31000000E+000 +4.57000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9O1-5OOH-2=>CH2O+C3H6CHO-3+OH                  +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9O1-5OOH-2=>C2H4+CH2OCH2CHO+OH                 +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9O1-3OOH-4=>CH3CHO+CH2CH2CHO+OH                +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9O1-4OOH-3=>C2H4+C2H4OCHO+OH                   +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9O1-3OOH-5=>CH2O+C4H7O1-4+OH                   +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9O1-5OOH-3<=>CH2CH2OCH2CH2CHO+OH               +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9O1-4OOH-5=>CH2O+C3H6CHO-3+OH                  +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9O2-3OOH-1=>CH2O+C3H6CHO-1+OH                  +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9O2-4OOH-1=>CH2O+C3H6CHO-2+OH                  +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9O2-4OOH-3=>CH3CHO+CH3CHCHO+OH                 +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9O2-3OOH-5=>CH2O+C4H71-O+OH                    +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: CETH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C5H10O1-2+OH=>CH2CO+NC3H7+H2O                     +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10O1-3+OH=>C2H4+C2H5CO+H2O                     +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10O1-4+OH=>CH3COCH2+C2H4+H2O                   +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10O1-5+OH=>CH2CH2CHO+C2H4+H2O                  +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10O2-3+OH=>CH3CHCO+C2H5+H2O                    +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10O2-4+OH=>CH3CO+C3H6+H2O                      +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10O1-2+OH=>C2H3CHO+C2H5+H2O                    +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10O1-3+OH=>HCO+C4H8-1+H2O                      +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10O1-4+OH=>CH2CHO+C3H6+H2O                     +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10O1-5+OH=>CH2O+C4H71-3+H2O                    +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10O2-3+OH=>C2H3COCH3+CH3+H2O                   +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10O2-4+OH=>CH3CHO+C3H5-S+H2O                   +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10O1-2+HO2=>CH2CO+NC3H7+H2O2                   +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10O1-3+HO2=>C2H4+C2H5CO+H2O2                   +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10O1-4+HO2=>CH3COCH2+C2H4+H2O2                 +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10O1-5+HO2=>CH2CH2CHO+C2H4+H2O2                +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10O2-3+HO2=>CH3CHCO+C2H5+H2O2                  +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10O2-4+HO2=>CH3CO+C3H6+H2O2                    +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10O1-2+HO2=>C2H3CHO+C2H5+H2O2                  +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10O1-3+HO2=>HCO+C4H8-1+H2O2                    +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10O1-4+HO2=>CH2CHO+C3H6+H2O2                   +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10O1-5+HO2=>CH2O+C4H71-3+H2O2                  +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10O2-3+HO2=>C2H3COCH3+CH3+H2O2                 +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H10O2-4+HO2=>CH3CHO+C3H5-S+H2O2                 +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: MISC
!___________________________________________________________________________________________________________ 
OCH2CHO<=>CH2O+HCO                                +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
CH2OCH2CHO<=>CH2O+CH2CHO                          +1.60000000E+013 +0.00000000E+000 +2.55000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
CH2CH2OCH2CH2CHO=>CH2O+C2H4+CH2CHO                +1.60000000E+013 +0.00000000E+000 +2.55000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5DIONE13+OH=>CH3CHCO+CH2CHO+H2O                 +2.36000000E+002 +3.15000000E+000 +3.05000000E+003 !\Author: JB !\Ref: PELUCCHI ET AL., COMBUST. FLAME, 162, 2015, 265-286 !\Comment: H-ATOM ABSTRACTION FOLLOWED BY BETA-SCISSION 
NC5DIONE24+OH=>CH2CO+CH3COCH2+H2O                 +1.72000000E+005 +2.40000000E+000 +8.15000000E+002 !\Author: JB !\Ref: PELUCCHI ET AL., COMBUST. FLAME, 162, 2015, 265-286 !\Comment: H-ATOM ABSTRACTION FOLLOWED BY BETA-SCISSION 
!===========================================================================================================
!\SUBSPECIES: C5H11O2H-1\C5H11O2H-2\C5H11O2H-3
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: KHP_HOMOLYTIC_FISSION
!___________________________________________________________________________________________________________ 
C5H11O2H-1<=>C5H11O-1+OH                          +7.30300000E+018 -8.90000000E-001 +4.56300000E+004 !\Author: JB !\Ref: ESTIMATED BY JB BY USING REVERSE OF CH3O2H<=>CH3O+OH FOR REVERSE OF THIS REACTION AND DERIVING FORWARD FROM THERMOCHEMISTRY !\Comment: WARNING 
C5H11O2H-2<=>C5H11O-2+OH                          +4.23200000E+020 -1.40000000E+000 +4.57500000E+004 !\Author: JB !\Ref: ESTIMATED BY JB BY USING REVERSE OF CH3O2H<=>CH3O+OH FOR REVERSE OF THIS REACTION AND DERIVING FORWARD FROM THERMOCHEMISTRY !\Comment: WARNING 
C5H11O2H-3<=>C5H11O-3+OH                          +1.42200000E+020 -1.34000000E+000 +4.56900000E+004 !\Author: JB !\Ref: ESTIMATED BY JB BY USING REVERSE OF CH3O2H<=>CH3O+OH FOR REVERSE OF THIS REACTION AND DERIVING FORWARD FROM THERMOCHEMISTRY !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTIONLUMPED
!___________________________________________________________________________________________________________ 
C5H11O2H-1+OH=>PC4H9CHO+H2O+OH                    +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: JB !\Ref: ESTIMATED TO BE 1E+12 PER H-ATOM BY JB !\Comment: ONLY ABSTRACTIONS BY OH ARE CONSIDERED FOR NOW AS THIS IS EXPECTED TO BE THE DOMINANT ABSTRACTOR ATLOW 
C5H11O2H-2+OH=>NC3H7COCH3+H2O+OH                  +1.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: JB !\Ref: ESTIMATED TO BE 1E+12 PER H-ATOM BY JB !\Comment: ONLY ABSTRACTIONS BY OH ARE CONSIDERED FOR NOW AS THIS IS EXPECTED TO BE THE DOMINANT ABSTRACTOR ATLOW 
C5H11O2H-3+OH=>C2H5COC2H5+H2O+OH                  +1.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: JB !\Ref: ESTIMATED TO BE 1E+12 PER H-ATOM BY JB !\Comment: ONLY ABSTRACTIONS BY OH ARE CONSIDERED FOR NOW AS THIS IS EXPECTED TO BE THE DOMINANT ABSTRACTOR ATLOW 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C5H11O2H-1+O2<=>C5H11O2-1+HO2                     +3.74600000E+013 -7.91000000E-001 +3.36200000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H11O2H-2+O2<=>C5H11O2-2+HO2                     +4.38000000E+013 -8.12000000E-001 +3.36400000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H11O2H-3+O2<=>C5H11O2-3+HO2                     +4.38000000E+013 -8.12000000E-001 +3.36400000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H11O2H-1+HO2<=>C5H11O2-1+H2O2                   +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H11O2H-2+HO2<=>C5H11O2-2+H2O2                   +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H11O2H-3+HO2<=>C5H11O2-3+H2O2                   +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: JB !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
CH2O+PC4H9<=>C5H11O-1                             +5.00000000E+010 +0.00000000E+000 +3.45700000E+003 !\Author: JB !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 
CH3CHO+NC3H7<=>C5H11O-2                           +3.33000000E+010 +0.00000000E+000 +6.39700000E+003 !\Author: JB !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 
C2H5+C2H5CHO<=>C5H11O-3                           +1.67000000E+010 +0.00000000E+000 +6.19300000E+003 !\Author: JB !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: C5H11O2H-1C5H11O2H-2\C5H11O2H-3
!===========================================================================================================
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: NC5H12
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: IC5H12
!\MECHCOMMENTS: \MISC REACTION
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH<=>CYCETH+OH
!___________________________________________________________________________________________________________ 
AC5H10OOH-A<=>A-AC5H10O+OH                        +6.34000000E+011 +0.00000000E+000 +1.73423000E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
AC5H10OOH-B<=>A-BC5H10O+OH                        +3.55000000E+012 +0.00000000E+000 +1.12955000E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
AC5H10OOH-C<=>A-CC5H10O+OH                        +9.51000000E+011 +0.00000000E+000 +1.60115200E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
AC5H10OOH-D<=>A-DC5H10O+OH                        +5.54000000E+010 +0.00000000E+000 +9.67294000E+003 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
BC5H10OOH-A<=>A-BC5H10O+OH                        +7.10000000E+012 +0.00000000E+000 +1.36230300E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
BC5H10OOH-C<=>B-CC5H10O+OH                        +3.55000000E+012 +0.00000000E+000 +1.19852300E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
BC5H10OOH-D<=>B-DC5H10O+OH                        +6.34000000E+011 +0.00000000E+000 +1.81402800E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
CC5H10OOH-A<=>A-CC5H10O+OH                        +6.34000000E+011 +0.00000000E+000 +1.67259000E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
CC5H10OOH-B<=>B-CC5H10O+OH                        +3.55000000E+012 +0.00000000E+000 +1.03154000E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
CC5H10OOH-D<=>C-DC5H10O+OH                        +3.55000000E+012 +0.00000000E+000 +1.23736000E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
DC5H10OOH-A<=>A-DC5H10O+OH                        +5.54000000E+010 +0.00000000E+000 +9.67294000E+003 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
DC5H10OOH-B<=>B-DC5H10O+OH                        +1.27000000E+012 +0.00000000E+000 +1.59203200E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
DC5H10OOH-C<=>C-DC5H10O+OH                        +3.55000000E+012 +0.00000000E+000 +1.07147300E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
IC5H12<=>IC3H7+C2H5                               +1.55000000E+051 -9.83000000E+000 +1.03292000E+005 !\Author: JB 7 / 10 / 2013 !\Ref: WARNING !\Comment: RATE CONSTANTS CALCULATED BASED ON LJ PARAMETERS FROM A. W. JASPER, J. A. MILLER. COMBUST. FLAME(2013) FOR N-PENTANE 
PLOG /                           +1.00000000E-002 +4.07000000E+095 -2.33700000E+001 +1.21614000E+005 /
PLOG /                           +1.00000000E-001 +2.80000000E+090 -2.15500000E+001 +1.22339000E+005 /
PLOG /                           +1.00000000E+000 +8.58000000E+079 -1.82700000E+001 +1.19001000E+005 /
PLOG /                           +2.00000000E+000 +3.96000000E+075 -1.69700000E+001 +1.17015000E+005 /
PLOG /                           +5.00000000E+000 +1.41000000E+069 -1.50600000E+001 +1.13723000E+005 /
PLOG /                           +1.00000000E+001 +7.29000000E+063 -1.35100000E+001 +1.10811000E+005 /
PLOG /                           +2.00000000E+001 +2.46000000E+058 -1.19100000E+001 +1.07645000E+005 /
PLOG /                           +5.00000000E+001 +1.55000000E+051 -9.83000000E+000 +1.03292000E+005 /
IC5H12<=>SC4H9+CH3                                +1.66000000E+049 -9.26000000E+000 +1.03871000E+005 !\Author: JB 7 / 10 / 2013 !\Ref: WARNING !\Comment: RATE CONSTANTS CALCULATED BASED ON LJ PARAMETERS FROM A. W. JASPER, J. A. MILLER. COMBUST. FLAME(2013) FOR N-PENTANE 
PLOG /                           +1.00000000E-002 +1.05000000E+093 -2.26400000E+001 +1.21641000E+005 /
PLOG /                           +1.00000000E-001 +1.31000000E+088 -2.08900000E+001 +1.22563000E+005 /
PLOG /                           +1.00000000E+000 +6.80000000E+077 -1.76700000E+001 +1.19420000E+005 /
PLOG /                           +2.00000000E+000 +3.55000000E+073 -1.63900000E+001 +1.17484000E+005 /
PLOG /                           +5.00000000E+000 +1.43000000E+067 -1.44900000E+001 +1.14248000E+005 /
PLOG /                           +1.00000000E+001 +7.81000000E+061 -1.29400000E+001 +1.11365000E+005 /
PLOG /                           +2.00000000E+001 +2.70000000E+056 -1.13500000E+001 +1.08218000E+005 /
PLOG /                           +5.00000000E+001 +1.66000000E+049 -9.26000000E+000 +1.03871000E+005 /
IC5H12<=>IC4H9+CH3                                +2.49000000E+047 -9.02000000E+000 +1.06282000E+005 !\Author: 7 / 10 / 2013 !\Ref: WARNING !\Comment: RATE CONSTANTS CALCULATED BASED ON LJ PARAMETERS FROM A. W. JASPER, J. A. MILLER. COMBUST. FLAME(2013) FOR N-PENTANE 
PLOG /                           +1.00000000E-002 +2.91000000E+088 -2.16800000E+001 +1.21666000E+005 /
PLOG /                           +1.00000000E-001 +4.79000000E+084 -2.02300000E+001 +1.23421000E+005 /
PLOG /                           +1.00000000E+000 +2.45000000E+075 -1.72800000E+001 +1.21108000E+005 /
PLOG /                           +2.00000000E+000 +2.21000000E+071 -1.60500000E+001 +1.19391000E+005 /
PLOG /                           +5.00000000E+000 +1.56000000E+065 -1.42200000E+001 +1.16397000E+005 /
PLOG /                           +1.00000000E+001 +1.12000000E+060 -1.27000000E+001 +1.13651000E+005 /
PLOG /                           +2.00000000E+001 +4.35000000E+054 -1.11200000E+001 +1.10591000E+005 /
PLOG /                           +5.00000000E+001 +2.49000000E+047 -9.02000000E+000 +1.06282000E+005 /
IC5H12<=>AC5H11+H                                 +5.70000000E+050 -9.95000000E+000 +1.21933000E+005 !\Author: WARNING !\Ref: JB 7 / 10 / 2013 !\Comment: RATE CONSTANTS CALCULATED BASED ON LJ PARAMETERS FROM A. W. JASPER, J. A. MILLER. COMBUST. FLAME(2013) FOR N-PENTANE 
PLOG /                           +1.00000000E-002 +8.01000000E+067 -1.61400000E+001 +1.18712000E+005 /
PLOG /                           +1.00000000E-001 +1.48000000E+072 -1.69200000E+001 +1.25626000E+005 /
PLOG /                           +1.00000000E+000 +7.25000000E+070 -1.61400000E+001 +1.29319000E+005 /
PLOG /                           +2.00000000E+000 +9.57000000E+068 -1.55000000E+001 +1.29394000E+005 /
PLOG /                           +5.00000000E+000 +2.14000000E+065 -1.43300000E+001 +1.28592000E+005 /
PLOG /                           +1.00000000E+001 +4.96000000E+061 -1.32100000E+001 +1.27269000E+005 /
PLOG /                           +2.00000000E+001 +2.30000000E+057 -1.19100000E+001 +1.25334000E+005 /
PLOG /                           +5.00000000E+001 +5.70000000E+050 -9.95000000E+000 +1.21933000E+005 /
IC5H12<=>BC5H11+H                                 +2.03000000E+049 -9.56000000E+000 +1.15729000E+005 !\Author: WARNING !\Ref: JB 7 / 10 / 2013 !\Comment: RATE CONSTANTS CALCULATED BASED ON LJ PARAMETERS FROM A. W. JASPER, J. A. MILLER. COMBUST. FLAME(2013) FOR N-PENTANE 
PLOG /                           +1.00000000E-002 +1.24000000E+077 -1.86500000E+001 +1.20361000E+005 /
PLOG /                           +1.00000000E-001 +1.43000000E+078 -1.85300000E+001 +1.25424000E+005 /
PLOG /                           +1.00000000E+000 +2.48000000E+073 -1.68100000E+001 +1.26657000E+005 /
PLOG /                           +2.00000000E+000 +3.39000000E+070 -1.59000000E+001 +1.25951000E+005 /
PLOG /                           +5.00000000E+000 +4.90000000E+065 -1.44100000E+001 +1.24153000E+005 /
PLOG /                           +1.00000000E+001 +1.95000000E+061 -1.30900000E+001 +1.22150000E+005 /
PLOG /                           +2.00000000E+001 +2.31000000E+056 -1.16300000E+001 +1.19644000E+005 /
PLOG /                           +5.00000000E+001 +2.03000000E+049 -9.56000000E+000 +1.15729000E+005 /
IC5H12<=>CC5H11+H                                 +4.40000000E+049 -9.73000000E+000 +1.17871000E+005 !\Author: WARNING !\Ref: JB 7 / 10 / 2013 !\Comment: RATE CONSTANTS CALCULATED BASED ON LJ PARAMETERS FROM A. W. JASPER, J. A. MILLER. COMBUST. FLAME(2013) FOR N-PENTANE 
PLOG /                           +1.00000000E-002 +7.61000000E+073 -1.78500000E+001 +1.19817000E+005 /
PLOG /                           +1.00000000E-001 +1.22000000E+076 -1.80500000E+001 +1.25581000E+005 /
PLOG /                           +1.00000000E+000 +3.07000000E+072 -1.66500000E+001 +1.27663000E+005 /
PLOG /                           +2.00000000E+000 +8.79000000E+069 -1.58200000E+001 +1.27218000E+005 /
PLOG /                           +5.00000000E+000 +3.06000000E+065 -1.44400000E+001 +1.25747000E+005 /
PLOG /                           +1.00000000E+001 +2.11000000E+061 -1.31800000E+001 +1.23961000E+005 /
PLOG /                           +2.00000000E+001 +3.77000000E+056 -1.17600000E+001 +1.21634000E+005 /
PLOG /                           +5.00000000E+001 +4.40000000E+049 -9.73000000E+000 +1.17871000E+005 /
IC5H12<=>DC5H11+H                                 +5.66000000E+050 -1.01700000E+001 +1.21933000E+005 !\Author: WARNING !\Ref: JB 7 / 10 / 2013 !\Comment: RATE CONSTANTS CALCULATED BASED ON LJ PARAMETERS FROM A. W. JASPER, J. A. MILLER. COMBUST. FLAME(2013) FOR N-PENTANE 
PLOG /                           +1.00000000E-002 +7.96000000E+067 -1.63500000E+001 +1.18712000E+005 /
PLOG /                           +1.00000000E-001 +1.48000000E+072 -1.71300000E+001 +1.25626000E+005 /
PLOG /                           +1.00000000E+000 +7.21000000E+070 -1.63600000E+001 +1.29319000E+005 /
PLOG /                           +2.00000000E+000 +9.51000000E+068 -1.57100000E+001 +1.29394000E+005 /
PLOG /                           +5.00000000E+000 +2.13000000E+065 -1.45500000E+001 +1.28592000E+005 /
PLOG /                           +1.00000000E+001 +4.94000000E+061 -1.34300000E+001 +1.27269000E+005 /
PLOG /                           +2.00000000E+001 +2.29000000E+057 -1.21200000E+001 +1.25334000E+005 /
PLOG /                           +5.00000000E+001 +5.66000000E+050 -1.01700000E+001 +1.21933000E+005 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH<=>ALKENE_HO2
!___________________________________________________________________________________________________________ 
AC5H10OOH-B<=>AC5H10+HO2                          +8.38000000E+009 +9.20000000E-001 +1.45000000E+004 !\Author: WARNING !\Ref: S. M. VILLANO, L. K. HUYNH, H. -H. CARSTENSEN, A. M. DEAN. J. PHYS. CHEM. A 2012, 116, 5068-5089 !\Comment: WARNING 
BC5H10OOH-A<=>AC5H10+HO2                          +3.89000000E+013 -1.50000000E-001 +1.55000000E+004 !\Author: WARNING !\Ref: S. M. VILLANO, L. K. HUYNH, H. -H. CARSTENSEN, A. M. DEAN. J. PHYS. CHEM. A 2012, 116, 5068-5089 !\Comment: WARNING 
BC5H10OOH-C<=>BC5H10+HO2                          +3.01000000E+011 +3.50000000E-001 +1.52000000E+004 !\Author: WARNING !\Ref: S. M. VILLANO, L. K. HUYNH, H. -H. CARSTENSEN, A. M. DEAN. J. PHYS. CHEM. A 2012, 116, 5068-5089 !\Comment: WARNING 
CC5H10OOH-B<=>BC5H10+HO2                          +9.79000000E+012 +4.00000000E-002 +1.54000000E+004 !\Author: WARNING !\Ref: S. M. VILLANO, L. K. HUYNH, H. -H. CARSTENSEN, A. M. DEAN. J. PHYS. CHEM. A 2012, 116, 5068-5089 !\Comment: WARNING 
CC5H10OOH-D<=>CC5H10+HO2                          +6.83000000E+009 +9.20000000E-001 +1.51000000E+004 !\Author: WARNING !\Ref: S. M. VILLANO, L. K. HUYNH, H. -H. CARSTENSEN, A. M. DEAN. J. PHYS. CHEM. A 2012, 116, 5068-5089 !\Comment: WARNING 
DC5H10OOH-C<=>CC5H10+HO2                          +6.24000000E+010 +7.20000000E-001 +1.50000000E+004 !\Author: WARNING !\Ref: S. M. VILLANO, L. K. HUYNH, H. -H. CARSTENSEN, A. M. DEAN. J. PHYS. CHEM. A 2012, 116, 5068-5089 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
IC5H12+O2<=>AC5H11+HO2                            +4.20000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+O<=>AC5H11+OH                              +1.13000000E+014 +0.00000000E+000 +7.85000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+H<=>AC5H11+H2                              +3.49000000E+005 +2.69000000E+000 +6.45000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+OH<=>AC5H11+H2O                            +3.34800000E+006 +2.07800000E+000 +3.75600000E+002 !\Author: WARNING !\Ref: R. SIVARAMAKRISHNAN, J. V. MICHAEL, J. PHYS. CHEM. A, 2009, 113, 5047-5060 !\Comment: WARNING 
IC5H12+HO2<=>AC5H11+H2O2                          +2.08000000E+001 +3.59000000E+000 +1.56000000E+004 !\Author: SP !\Ref: 60% OF NEW RATE !\Comment: WARNING 
IC5H12+CH3<=>AC5H11+CH4                           +9.04000000E-001 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+CH3O<=>AC5H11+CH3OH                        +3.00000000E+011 +0.00000000E+000 +7.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+CH3O2<=>AC5H11+CH3O2H                      +1.38600000E+000 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+C2H5<=>AC5H11+C2H6                         +1.00000000E+011 +0.00000000E+000 +1.34000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+C2H3<=>AC5H11+C2H4                         +1.00000000E+012 +0.00000000E+000 +1.80000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+O2CHO<=>AC5H11+HO2CHO                      +1.68000000E+013 +0.00000000E+000 +2.04400000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+AC5H11O2<=>AC5H11+AC5H11O2H                +1.21000000E+013 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC5H12+BC5H11O2<=>AC5H11+BC5H11O2H                +1.21000000E+013 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC5H12+CC5H11O2<=>AC5H11+CC5H11O2H                +1.21000000E+013 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC5H12+DC5H11O2<=>AC5H11+DC5H11O2H                +1.21000000E+013 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC5H12+O2<=>DC5H11+HO2                            +2.10000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+O<=>DC5H11+OH                              +1.04600000E+006 +2.42400000E+000 +4.76600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+H<=>DC5H11+H2                              +1.74500000E+005 +2.69000000E+000 +6.45000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+OH<=>DC5H11+H2O                            +1.36600000E+007 +1.81300000E+000 +8.68400000E+002 !\Author: WARNING !\Ref: R. SIVARAMAKRISHNAN, J. V. MICHAEL, J. PHYS. CHEM. A, 2009, 113, 5047-5060 !\Comment: WARNING 
IC5H12+HO2<=>DC5H11+H2O2                          +7.83500000E+001 +3.37000000E+000 +1.60040000E+004 !\Author: WARNING !\Ref: APPROX 50% HIGHER FITTING !\Comment: WARNING 
IC5H12+CH3<=>DC5H11+CH4                           +4.52000000E-001 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+CH3O<=>DC5H11+CH3OH                        +1.50000000E+011 +0.00000000E+000 +7.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+CH3O2<=>DC5H11+CH3O2H                      +6.93000000E-001 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+C2H5<=>DC5H11+C2H6                         +5.00000000E+010 +0.00000000E+000 +1.34000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+C2H3<=>DC5H11+C2H4                         +5.00000000E+011 +0.00000000E+000 +1.80000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+O2CHO<=>DC5H11+HO2CHO                      +8.40000000E+012 +0.00000000E+000 +2.04400000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+AC5H11<=>DC5H11+IC5H12                     +7.50000000E+010 +0.00000000E+000 +1.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+BC5H11<=>DC5H11+IC5H12                     +7.50000000E+010 +0.00000000E+000 +1.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+CC5H11<=>DC5H11+IC5H12                     +7.50000000E+010 +0.00000000E+000 +1.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+AC5H11O2<=>DC5H11+AC5H11O2H                +6.04800000E+012 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC5H12+BC5H11O2<=>DC5H11+BC5H11O2H                +6.04800000E+012 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC5H12+CC5H11O2<=>DC5H11+CC5H11O2H                +6.04800000E+012 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC5H12+DC5H11O2<=>DC5H11+DC5H11O2H                +6.04800000E+012 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC5H12+O2<=>CC5H11+HO2                            +1.40000000E+013 +0.00000000E+000 +5.01600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+O<=>CC5H11+OH                              +5.94600000E+005 +2.43900000E+000 +2.84600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+H<=>CC5H11+H2                              +1.30000000E+006 +2.40000000E+000 +4.47100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+OH<=>CC5H11+H2O                            +7.05300000E+009 +9.35000000E-001 +5.04700000E+002 !\Author: WARNING !\Ref: R. SIVARAMAKRISHNAN, J. V. MICHAEL, J. PHYS. CHEM. A, 2009, 113, 5047-5060 !\Comment: WARNING 
IC5H12+HO2<=>CC5H11+H2O2                          +6.32000000E+001 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+CH3<=>CC5H11+CH4                           +8.40000000E+004 +2.13300000E+000 +7.57400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+CH3O<=>CC5H11+CH3OH                        +1.10000000E+011 +0.00000000E+000 +5.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+CH3O2<=>CC5H11+CH3O2H                      +1.01900000E+001 +3.58000000E+000 +1.48100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+C2H5<=>CC5H11+C2H6                         +5.00000000E+010 +0.00000000E+000 +1.04000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+C2H3<=>CC5H11+C2H4                         +4.00000000E+011 +0.00000000E+000 +1.68000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+O2CHO<=>CC5H11+HO2CHO                      +5.60000000E+012 +0.00000000E+000 +1.76900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+AC5H11<=>CC5H11+IC5H12                     +5.00000000E+010 +0.00000000E+000 +1.04000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+BC5H11<=>CC5H11+IC5H12                     +5.00000000E+010 +0.00000000E+000 +1.04000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+AC5H11O2<=>CC5H11+AC5H11O2H                +4.03200000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC5H12+BC5H11O2<=>CC5H11+BC5H11O2H                +4.03200000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC5H12+CC5H11O2<=>CC5H11+CC5H11O2H                +4.03200000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC5H12+DC5H11O2<=>CC5H11+DC5H11O2H                +4.03200000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC5H12+O2<=>BC5H11+HO2                            +7.00000000E+012 +0.00000000E+000 +4.80000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+O<=>BC5H11+OH                              +3.96800000E+005 +2.40100000E+000 +1.15000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+H<=>BC5H11+H2                              +6.02000000E+005 +2.40000000E+000 +2.58300000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+OH<=>BC5H11+H2O                            +4.84400000E+006 +1.84000000E+000 -9.99600000E+002 !\Author: WARNING !\Ref: R. SIVARAMAKRISHNAN, J. V. MICHAEL, J. PHYS. CHEM. A, 2009, 113, 5047-5060 !\Comment: WARNING 
IC5H12+HO2<=>BC5H11+H2O2                          +6.50400000E+002 +3.01000000E+000 +1.20900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+CH3<=>BC5H11+CH4                           +6.01000000E-010 +6.36000000E+000 +8.93000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+CH3O<=>BC5H11+CH3OH                        +1.90000000E+010 +0.00000000E+000 +2.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+CH3O2<=>BC5H11+CH3O2H                      +2.62000000E+002 +3.12000000E+000 +1.11000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+C2H5<=>BC5H11+C2H6                         +1.00000000E+011 +0.00000000E+000 +7.90000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+C2H3<=>BC5H11+C2H4                         +2.00000000E+011 +0.00000000E+000 +1.43000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+O2CHO<=>BC5H11+HO2CHO                      +1.50000000E+004 +2.50000000E+000 +1.22600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+AC5H11<=>BC5H11+IC5H12                     +2.50000000E+010 +0.00000000E+000 +7.90000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5H12+AC5H11O2<=>BC5H11+AC5H11O2H                +2.01600000E+012 +0.00000000E+000 +1.60000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC5H12+BC5H11O2<=>BC5H11+BC5H11O2H                +2.01600000E+012 +0.00000000E+000 +1.60000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC5H12+CC5H11O2<=>BC5H11+CC5H11O2H                +2.01600000E+012 +0.00000000E+000 +1.60000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC5H12+DC5H11O2<=>BC5H11+DC5H11O2H                +2.01600000E+012 +0.00000000E+000 +1.60000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
AC5H10OOH-C=>OH+CH2O+C4H8-2                       +1.96000000E+009 +1.20000000E+000 +2.34000000E+004 !\Author: WARNING !\Ref: S. M. VILLANO, L. K. HUYNH, H. -H. CARSTENSEN, A. M. DEAN. J. PHYS. CHEM. A 2012, 116, 5068-5089 !\Comment: WARNING 
AC5H10OOH-A=>OH+CH2O+C4H8-1                       +8.28300000E+013 -1.70000000E-001 +3.00900000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
BC5H10OOH-D=>OH+CH3COCH3+C2H4                     +1.18200000E+020 -2.06000000E+000 +2.42100000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
CC5H10OOH-A=>OH+CH3CHO+C3H6                       +3.53000000E+009 +1.20000000E+000 +2.19000000E+004 !\Author: WARNING !\Ref: S. M. VILLANO, L. K. HUYNH, H. -H. CARSTENSEN, A. M. DEAN. J. PHYS. CHEM. A 2012, 116, 5068-5089 !\Comment: WARNING 
DC5H10OOH-B=>OH+CH2O+IC4H8                        +6.27000000E+008 +1.40000000E+000 +2.36000000E+004 !\Author: WARNING !\Ref: S. M. VILLANO, L. K. HUYNH, H. -H. CARSTENSEN, A. M. DEAN. J. PHYS. CHEM. A 2012, 116, 5068-5089 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH+O2<=>O2QOOH
!___________________________________________________________________________________________________________ 
AC5H10OOH-A+O2<=>AC5H10OOH-AO2                    +3.08900000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: A. MIYOSHI. INT. J. CHEM. KIN. 2012, 44, 1, 59-74 !A*0.45 !\Comment: WARNING 
AC5H10OOH-B+O2<=>AC5H10OOH-BO2                    +4.39000000E+011 +3.25000000E-001 -4.17300000E+002 !\Author: WARNING !\Ref: A. MIYOSHI. INT. J. CHEM. KIN. 2012, 44, 1, 59-74 !A*0.45 !\Comment: WARNING 
AC5H10OOH-C+O2<=>AC5H10OOH-CO2                    +1.56900000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: A. MIYOSHI. INT. J. CHEM. KIN. 2012, 44, 1, 59-74 !A*0.45 !\Comment: WARNING 
AC5H10OOH-D+O2<=>AC5H10OOH-DO2                    +3.08900000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: A. MIYOSHI. INT. J. CHEM. KIN. 2012, 44, 1, 59-74 !A*0.45 !\Comment: WARNING 
BC5H10OOH-A+O2<=>BC5H10OOH-AO2                    +3.08900000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: A. MIYOSHI. INT. J. CHEM. KIN. 2012, 44, 1, 59-74 !A*0.45 !\Comment: WARNING 
BC5H10OOH-C+O2<=>BC5H10OOH-CO2                    +1.56900000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: A. MIYOSHI. INT. J. CHEM. KIN. 2012, 44, 1, 59-74 !A*0.45 !\Comment: WARNING 
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AC5H11+O2<=>AC5H11O2                              +6.86500000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: A. MIYOSHI. INT. J. CHEM. KIN. 2012, 44, 1, 59-74 !\Comment: WARNING 
BC5H11+O2<=>BC5H11O2                              +9.75600000E+011 +3.25000000E-001 -4.17300000E+002 !\Author: WARNING !\Ref: A. MIYOSHI. INT. J. CHEM. KIN. 2012, 44, 1, 59-74 !\Comment: WARNING 
CC5H11+O2<=>CC5H11O2                              +3.48700000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: A. MIYOSHI. INT. J. CHEM. KIN. 2012, 44, 1, 59-74 !\Comment: WARNING 
DC5H11+O2<=>DC5H11O2                              +6.86500000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: A. MIYOSHI. INT. J. CHEM. KIN. 2012, 44, 1, 59-74 !\Comment: WARNING 
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AC5H11+HO2<=>AC5H11O+OH                           +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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AC5H11O2<=>AC5H10OOH-A                            +4.91000000E+007 +1.30000000E+000 +2.15000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
AC5H11O2<=>AC5H10OOH-B                            +2.30900000E+009 +8.00000000E-001 +2.71000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
AC5H11O2<=>AC5H10OOH-C                            +1.36000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
AC5H11O2<=>AC5H10OOH-D                            +1.23300000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
BC5H11O2<=>BC5H10OOH-A                            +3.01400000E+009 +1.20000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
BC5H11O2<=>BC5H10OOH-C                            +6.51300000E+009 +7.00000000E-001 +3.01000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
BC5H11O2<=>BC5H10OOH-D                            +1.50400000E+008 +1.10000000E+000 +2.19000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
CC5H11O2<=>CC5H10OOH-A                            +2.87700000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
CC5H11O2<=>CC5H10OOH-B                            +7.44900000E+009 +6.00000000E-001 +2.73000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
CC5H11O2<=>CC5H10OOH-D                            +1.45800000E+009 +1.10000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
DC5H11O2<=>DC5H10OOH-A                            +2.46700000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
DC5H11O2<=>DC5H10OOH-B                            +1.23100000E+007 +1.20000000E+000 +1.54000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
DC5H11O2<=>DC5H10OOH-C                            +4.00900000E+008 +1.10000000E+000 +3.01000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: KHP_HOMOLYTIC_FISSION
!___________________________________________________________________________________________________________ 
IC5KETAA<=>IC5KETAAO+OH                           +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC5KETAB<=>IC5KETABO+OH                           +6.00000000E+015 +0.00000000E+000 +4.12000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC5KETAC<=>IC5KETACO+OH                           +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC5KETAD<=>IC5KETADO+OH                           +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC5KETCA<=>IC5KETCAO+OH                           +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC5KETCB<=>IC5KETCBO+OH                           +6.00000000E+015 +0.00000000E+000 +4.12000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC5KETCD<=>IC5KETCDO+OH                           +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC5KETDA<=>IC5KETDAO+OH                           +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC5KETDB<=>IC5KETDBO+OH                           +6.00000000E+015 +0.00000000E+000 +4.12000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC5KETDC<=>IC5KETDCO+OH                           +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC5KETAAO<=>CH2O+C3H6CHO-1                        +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: O. HERBINET ET AL. COMBUST. FLAME 2012, 159, 3455-3471 !\Comment: WARNING 
IC5KETABO<=>C2H5COCH3+HCO                         +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: O. HERBINET ET AL. COMBUST. FLAME 2012, 159, 3455-3471 !\Comment: WARNING 
IC5KETACO<=>CH3CHO+CH3CHCHO                       +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: O. HERBINET ET AL. COMBUST. FLAME 2012, 159, 3455-3471 !\Comment: WARNING 
IC5KETADO<=>CH2O+IC3H6CHO                         +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: O. HERBINET ET AL. COMBUST. FLAME 2012, 159, 3455-3471 !\Comment: WARNING 
IC5KETCAO<=>CH2O+CH3CHCOCH3                       +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: O. HERBINET ET AL. COMBUST. FLAME 2012, 159, 3455-3471 !\Comment: WARNING 
IC5KETCBO<=>CH3COCH3+CH3CO                        +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: O. HERBINET ET AL. COMBUST. FLAME 2012, 159, 3455-3471 !\Comment: WARNING 
IC5KETCDO<=>CH2O+IC3H7CO                          +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: O. HERBINET ET AL. COMBUST. FLAME 2012, 159, 3455-3471 !\Comment: WARNING 
IC5KETDAO<=>CH2O+C3H6CHO-2                        +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: O. HERBINET ET AL. COMBUST. FLAME 2012, 159, 3455-3471 !\Comment: WARNING 
IC5KETDBO<=>CH3COCH3+CH2CHO                       +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: O. HERBINET ET AL. COMBUST. FLAME 2012, 159, 3455-3471 !\Comment: WARNING 
IC5KETDCO<=>IC3H7CHO+HCO                          +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: O. HERBINET ET AL. COMBUST. FLAME 2012, 159, 3455-3471 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>ALKENE+HO2
!___________________________________________________________________________________________________________ 
AC5H11O2<=>AC5H10+HO2                             +1.26000000E+008 +1.32000000E+000 +2.89000000E+004 !\Author: WARNING !\Ref: S. M. VILLANO, L. K. HUYNH, H. -H. CARSTENSEN, A. M. DEAN. J. PHYS. CHEM. A 2011, 115, 13425-13442 !\Comment: WARNING 
BC5H11O2<=>AC5H10+HO2                             +2.44800000E+010 +8.90000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: S. M. VILLANO, L. K. HUYNH, H. -H. CARSTENSEN, A. M. DEAN. J. PHYS. CHEM. A 2011, 115, 13425-13442 !\Comment: WARNING 
BC5H11O2<=>BC5H10+HO2                             +1.12400000E+011 +5.80000000E-001 +2.96000000E+004 !\Author: WARNING !\Ref: S. M. VILLANO, L. K. HUYNH, H. -H. CARSTENSEN, A. M. DEAN. J. PHYS. CHEM. A 2011, 115, 13425-13442 !\Comment: WARNING 
CC5H11O2<=>BC5H10+HO2                             +3.50000000E+010 +7.10000000E-001 +3.01000000E+004 !\Author: WARNING !\Ref: S. M. VILLANO, L. K. HUYNH, H. -H. CARSTENSEN, A. M. DEAN. J. PHYS. CHEM. A 2011, 115, 13425-13442 !\Comment: WARNING 
CC5H11O2<=>CC5H10+HO2                             +1.47600000E+009 +1.21000000E+000 +2.98000000E+004 !\Author: WARNING !\Ref: S. M. VILLANO, L. K. HUYNH, H. -H. CARSTENSEN, A. M. DEAN. J. PHYS. CHEM. A 2011, 115, 13425-13442 !\Comment: WARNING 
DC5H11O2<=>CC5H10+HO2                             +1.51800000E+007 +1.66000000E+000 +2.84000000E+004 !\Author: WARNING !\Ref: S. M. VILLANO, L. K. HUYNH, H. -H. CARSTENSEN, A. M. DEAN. J. PHYS. CHEM. A 2011, 115, 13425-13442 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: POOH<=>ALKENEKHP+HO2
!___________________________________________________________________________________________________________ 
C5H9A-A,BOOH<=>C5H9A-AOOH+HO2                     +3.89000000E+013 -1.50000000E-001 +1.55000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9A-B,COOH<=>C5H9A-COOH+HO2                     +3.89000000E+013 -1.50000000E-001 +1.55000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9A-B,DOOH<=>C5H9A-DOOH+HO2                     +3.89000000E+013 -1.50000000E-001 +1.55000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9B-A,AOOH<=>C5H9A-AOOH+HO2                     +1.67600000E+010 +9.20000000E-001 +1.45000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9B-A,COOH<=>C5H9A-COOH+HO2                     +8.38000000E+009 +9.20000000E-001 +1.45000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9B-A,COOH<=>C5H9B-AOOH+HO2                     +9.79000000E+012 +4.00000000E-002 +1.54000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9B-A,DOOH<=>C5H9A-DOOH+HO2                     +8.38000000E+009 +9.20000000E-001 +1.45000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9B-C,DOOH<=>C5H9B-DOOH+HO2                     +9.79000000E+012 +4.00000000E-002 +1.54000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9C-A,BOOH<=>C5H9B-AOOH+HO2                     +3.01000000E+011 +3.50000000E-001 +1.52000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9C-A,DOOH<=>C5H9C-AOOH+HO2                     +6.24000000E+010 +7.20000000E-001 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9C-B,DOOH<=>C5H9B-DOOH+HO2                     +3.01000000E+011 +3.50000000E-001 +1.52000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9C-B,DOOH<=>C5H9C-BOOH+HO2                     +6.24000000E+010 +7.20000000E-001 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9D-A,COOH<=>C5H9C-AOOH+HO2                     +6.83000000E+009 +9.20000000E-001 +1.51000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9D-B,COOH<=>C5H9C-BOOH+HO2                     +6.83000000E+009 +9.20000000E-001 +1.51000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: KHP_HOMOLYTIC_FISSION
!___________________________________________________________________________________________________________ 
C5H9A-AOOH=>CH2O+C4H71-2+OH                       +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9A-COOH=>CH3CHO+C3H5-T+OH                      +1.05000000E+016 +0.00000000E+000 +4.26000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9A-DOOH=>CH2O+IC4H7+OH                         +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9B-AOOH=>CH2O+C4H72-2+OH                       +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9B-DOOH=>CH2O+IC4H7+OH                         +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9C-AOOH=>CH2O+C4H71-3+OH                       +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9C-BOOH=>CH3COCH3+C2H3+OH                      +6.00000000E+015 +0.00000000E+000 +4.22000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: POOH<=>CETH-OOH+OH
!___________________________________________________________________________________________________________ 
C5H9A-A,BOOH<=>C5H9OA-AOOH-B+OH                   +6.34000000E+011 +0.00000000E+000 +1.73802800E+004 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9A-A,BOOH<=>C5H9OA-BOOH-A+OH                   +7.10000000E+012 +0.00000000E+000 +1.36230300E+004 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9A-A,COOH<=>C5H9OA-AOOH-C+OH                   +6.34000000E+011 +0.00000000E+000 +1.73415200E+004 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9A-A,COOH<=>C5H9OA-COOH-A+OH                   +6.34000000E+011 +0.00000000E+000 +1.67266800E+004 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9A-A,DOOH<=>C5H9OA-AOOH-D+OH                   +6.34000000E+011 +0.00000000E+000 +1.73422800E+004 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9A-A,DOOH<=>C5H9OA-DOOH-A+OH                   +5.54000000E+010 +0.00000000E+000 +9.67294000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9A-B,COOH<=>C5H9OA-BOOH-C+OH                   +7.10000000E+012 +0.00000000E+000 +1.36230300E+004 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9A-B,COOH<=>C5H9OA-COOH-B+OH                   +6.34000000E+011 +0.00000000E+000 +1.67646800E+004 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9A-B,DOOH<=>C5H9OA-BOOH-D+OH                   +7.10000000E+012 +0.00000000E+000 +1.36230300E+004 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9A-B,DOOH<=>C5H9OA-DOOH-B+OH                   +5.54000000E+010 +0.00000000E+000 +9.72994000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9A-C,DOOH<=>C5H9OA-COOH-D+OH                   +6.34000000E+011 +0.00000000E+000 +1.67266800E+004 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9A-C,DOOH<=>C5H9OA-DOOH-C+OH                   +5.54000000E+010 +0.00000000E+000 +9.67294000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9B-A,AOOH<=>C5H9OA-BOOH-A+OH                   +7.10000000E+012 +0.00000000E+000 +1.12943200E+004 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9B-A,COOH<=>C5H9OA-BOOH-C+OH                   +3.55000000E+012 +0.00000000E+000 +1.12943200E+004 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9B-A,COOH<=>C5H9OB-COOH-A+OH                   +3.55000000E+012 +0.00000000E+000 +1.12834300E+004 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9B-A,DOOH<=>C5H9OA-BOOH-D+OH                   +3.55000000E+012 +0.00000000E+000 +1.12943200E+004 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9B-A,DOOH<=>C5H9OB-DOOH-A+OH                   +1.27000000E+012 +0.00000000E+000 +1.60875200E+004 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9B-C,DOOH<=>C5H9OB-COOH-D+OH                   +3.55000000E+012 +0.00000000E+000 +1.12834300E+004 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9B-C,DOOH<=>C5H9OB-DOOH-C+OH                   +1.27000000E+012 +0.00000000E+000 +1.60882800E+004 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9C-A,AOOH<=>C5H9OA-COOH-A+OH                   +1.90200000E+012 +0.00000000E+000 +1.60122800E+004 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9C-A,BOOH<=>C5H9OA-COOH-B+OH                   +9.51000000E+011 +0.00000000E+000 +1.57227200E+004 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9C-A,BOOH<=>C5H9OB-COOH-A+OH                   +3.55000000E+012 +0.00000000E+000 +1.29532300E+004 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9C-A,DOOH<=>C5H9OA-COOH-D+OH                   +9.51000000E+011 +0.00000000E+000 +1.60122800E+004 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9C-A,DOOH<=>C5H9OC-DOOH-A+OH                   +3.55000000E+012 +0.00000000E+000 +1.11733200E+004 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9C-B,DOOH<=>C5H9OB-COOH-D+OH                   +3.55000000E+012 +0.00000000E+000 +1.29532300E+004 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9C-B,DOOH<=>C5H9OC-DOOH-B+OH                   +3.55000000E+012 +0.00000000E+000 +1.07135200E+004 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9D-A,AOOH<=>C5H9OA-DOOH-A+OH                   +1.10800000E+011 +0.00000000E+000 +9.67294000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9D-A,BOOH<=>C5H9OA-DOOH-B+OH                   +5.54000000E+010 +0.00000000E+000 +9.67294000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9D-A,BOOH<=>C5H9OB-DOOH-A+OH                   +6.34000000E+011 +0.00000000E+000 +1.81402800E+004 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9D-A,COOH<=>C5H9OA-DOOH-C+OH                   +5.54000000E+010 +0.00000000E+000 +9.73108000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9D-A,COOH<=>C5H9OC-DOOH-A+OH                   +3.55000000E+012 +0.00000000E+000 +1.23724300E+004 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9D-B,COOH<=>C5H9OB-DOOH-C+OH                   +6.34000000E+011 +0.00000000E+000 +1.81790400E+004 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9D-B,COOH<=>C5H9OC-DOOH-B+OH                   +3.55000000E+012 +0.00000000E+000 +1.23724300E+004 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: CETH-OOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C5H9OA-AOOH-B=>CH2O+C2H5COCH2+OH                  +6.00000000E+015 +0.00000000E+000 +4.22000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OA-BOOH-A=>CH2O+C2H5COCH2+OH                  +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OA-AOOH-C=>CH3CHO+C3H5O+OH                    +1.05000000E+016 +0.00000000E+000 +4.26000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OA-COOH-A=>CH2O+C4H71-O+OH                    +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OA-AOOH-D=>CH2O+AC3H5OCH2+OH                  +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OA-DOOH-A=>CH2O+C4H7O1-4+OH                   +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OA-BOOH-C=>CH3CHO+CH3COCH2+OH                 +1.05000000E+016 +0.00000000E+000 +4.26000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OA-COOH-B=>CH3CHO+CH3COCH2+OH                 +6.00000000E+015 +0.00000000E+000 +4.22000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OA-BOOH-D=>CH2O+IC4H7O+OH                     +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OA-DOOH-B<=>CH3COCH2OCH2CH2+OH                +6.00000000E+015 +0.00000000E+000 +4.22000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OA-COOH-D=>CH2O+IC3H6CHO+OH                   +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OA-DOOH-C=>CH2O+IC3H6CHO+OH                   +1.05000000E+016 +0.00000000E+000 +4.26000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OB-COOH-A=>CH2O+CH3CHCOCH3+OH                 +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OB-DOOH-A=>CH2O+CH2CH2COCH3+OH                +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OB-COOH-D=>CH2O+TC3H6CHO+OH                   +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OB-DOOH-C=>CH3COCH3+CH2CHO+OH                 +1.05000000E+016 +0.00000000E+000 +4.26000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OC-DOOH-A=>CH2O+C4H7O2-1+OH                   +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OC-DOOH-B=>CH3COCH3+CH2CHO+OH                 +6.00000000E+015 +0.00000000E+000 +4.22000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
CH3COCH2OCH2CH2=>CH2O+C2H4+CH3CO                  +1.60000000E+013 +0.00000000E+000 +2.55000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: CETH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
A-AC5H10O+OH=>CH2O+C4H71-2+H2O                    +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
A-BC5H10O+OH=>IC3H5CHO+CH3+H2O                    +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
A-CC5H10O+OH=>C3H6+CH3CO+H2O                      +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
A-DC5H10O+OH=>C3H6+CH2CHO+H2O                     +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
B-CC5H10O+OH=>IC3H5COCH3+H+H2O                    +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
B-DC5H10O+OH=>IC4H8+HCO+H2O                       +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C-DC5H10O+OH=>CH2CO+IC3H7+H2O                     +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
A-AC5H10O+OH=>C2H3CHO+C2H5+H2O                    +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
A-BC5H10O+OH=>CH2O+C4H72-2+H2O                    +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
A-CC5H10O+OH=>C3H5-T+CH3CHO+H2O                   +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
A-DC5H10O+OH=>CH3CHCHO+C2H4+H2O                   +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
B-CC5H10O+OH=>IC3H5CHO+CH3+H2O                    +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
B-DC5H10O+OH=>CH3COCH3+C2H3+H2O                   +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C-DC5H10O+OH=>SC3H5CHO+CH3+H2O                    +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
A-AC5H10O+HO2=>CH2O+C4H71-2+H2O2                  +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
A-BC5H10O+HO2=>IC3H5CHO+CH3+H2O2                  +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
A-CC5H10O+HO2=>C3H6+CH3CO+H2O2                    +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
A-DC5H10O+HO2=>C3H6+CH2CHO+H2O2                   +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
B-CC5H10O+HO2=>IC3H5COCH3+H+H2O2                  +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
B-DC5H10O+HO2=>IC4H8+HCO+H2O2                     +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C-DC5H10O+HO2=>CH2CO+IC3H7+H2O2                   +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
A-AC5H10O+HO2=>C2H3CHO+C2H5+H2O2                  +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
A-BC5H10O+HO2=>CH2O+C4H72-2+H2O2                  +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
A-CC5H10O+HO2=>C3H5-T+CH3CHO+H2O2                 +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
A-DC5H10O+HO2=>CH3CHCHO+C2H4+H2O2                 +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
B-CC5H10O+HO2=>IC3H5CHO+CH3+H2O2                  +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
B-DC5H10O+HO2=>CH3COCH3+C2H3+H2O2                 +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C-DC5H10O+HO2=>SC3H5CHO+CH3+H2O2                  +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!===========================================================================================================
!\SUBSPECIES: AC5H11O2HBC5H11O2H\CC5H11O2H\DC5H11O2H
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
AC5H11O2+HO2<=>AC5H11O2H+O2                       +1.75000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
BC5H11O2+HO2<=>BC5H11O2H+O2                       +1.75000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
CC5H11O2+HO2<=>CC5H11O2H+O2                       +1.75000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
DC5H11O2+HO2<=>DC5H11O2H+O2                       +1.75000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
AC5H11O2+H2O2<=>AC5H11O2H+HO2                     +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
BC5H11O2+H2O2<=>BC5H11O2H+HO2                     +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
CC5H11O2+H2O2<=>CC5H11O2H+HO2                     +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
DC5H11O2+H2O2<=>DC5H11O2H+HO2                     +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2+CH3O2<=>RO+CH3O+O2
!___________________________________________________________________________________________________________ 
AC5H11O2+CH3O2=>AC5H11O+CH3O+O2                   +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
BC5H11O2+CH3O2=>BC5H11O+CH3O+O2                   +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
CC5H11O2+CH3O2=>CC5H11O+CH3O+O2                   +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
DC5H11O2+CH3O2=>DC5H11O+CH3O+O2                   +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
AC5H11O2+AC5H11O2=>AC5H11O+AC5H11O+O2             +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
AC5H11O2+BC5H11O2=>AC5H11O+BC5H11O+O2             +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
AC5H11O2+CC5H11O2=>AC5H11O+CC5H11O+O2             +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
AC5H11O2+DC5H11O2=>AC5H11O+DC5H11O+O2             +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
BC5H11O2+BC5H11O2=>BC5H11O+BC5H11O+O2             +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
BC5H11O2+CC5H11O2=>BC5H11O+CC5H11O+O2             +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
BC5H11O2+DC5H11O2=>BC5H11O+DC5H11O+O2             +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
CC5H11O2+CC5H11O2=>CC5H11O+CC5H11O+O2             +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
CC5H11O2+DC5H11O2=>CC5H11O+DC5H11O+O2             +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
DC5H11O2+DC5H11O2=>DC5H11O+DC5H11O+O2             +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: KHP_HOMOLYTIC_FISSION
!___________________________________________________________________________________________________________ 
AC5H11O2H<=>AC5H11O+OH                            +3.03100000E+020 -1.41400000E+000 +4.60721000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
BC5H11O2H<=>BC5H11O+OH                            +8.61800000E+020 -1.64100000E+000 +4.51556000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
CC5H11O2H<=>CC5H11O+OH                            +1.12900000E+021 -1.55500000E+000 +4.57774000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
DC5H11O2H<=>DC5H11O+OH                            +3.59100000E+020 -1.43600000E+000 +4.61037000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO_DECOMPOSITION
!___________________________________________________________________________________________________________ 
CH2O+SC4H9<=>AC5H11O                              +5.00000000E+010 +0.00000000E+000 +2.33000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C2H5+CH3COCH3<=>BC5H11O                           +8.33000000E+009 +0.00000000E+000 +7.24000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
CH3CHO+IC3H7<=>CC5H11O                            +1.66500000E+010 +0.00000000E+000 +5.23000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
CH2O+IC4H9<=>DC5H11O                              +5.00000000E+010 +0.00000000E+000 +2.33000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: AC5H11O2HBC5H11O2H\CC5H11O2H\DC5H11O2H
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: IC3H5COCH3
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
IC3H5COCH3<=>IC3H5CO+CH3                          +1.90300000E+022 -1.75200000E+000 +8.36255000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC3H5COCH3<=>C3H5-T+CH3CO                         +6.07000000E+024 -2.21000000E+000 +9.69600000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
IC3H5COCH3+OH<=>IC3H5COCH2+H2O                    +5.10000000E+011 +0.00000000E+000 +1.19200000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC3H5COCH3+O<=>IC3H5COCH2+OH                      +5.00000000E+012 +0.00000000E+000 +5.96200000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC3H5COCH3+H<=>IC3H5COCH2+H2                      +9.30000000E+012 +0.00000000E+000 +6.35700000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC3H5COCH3+CH3<=>IC3H5COCH2+CH4                   +1.62000000E+011 +0.00000000E+000 +9.63000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC3H5COCH3+HO2<=>IC3H5COCH2+H2O2                  +8.50000000E+012 +0.00000000E+000 +2.04600000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC3H5COCH3+O2<=>IC3H5COCH2+HO2                    +6.00000000E+013 +0.00000000E+000 +4.60000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC3H5COCH3+OH<=>AC3H4COCH3+H2O                    +3.12000000E+006 +2.00000000E+000 -2.98000000E+002 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC3H5COCH3+O<=>AC3H4COCH3+OH                      +6.03000000E+010 +7.00000000E-001 +7.63300000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC3H5COCH3+H<=>AC3H4COCH3+H2                      +1.73000000E+005 +2.50000000E+000 +2.49200000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC3H5COCH3+CH3<=>AC3H4COCH3+CH4                   +2.21000000E+000 +3.50000000E+000 +5.67500000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC3H5COCH3+HO2<=>AC3H4COCH3+H2O2                  +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
IC3H5COCH3+O2<=>AC3H4COCH3+HO2                    +6.03000000E+013 +0.00000000E+000 +4.75900000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
IC3H5COCH2<=>C3H5-T+CH2CO                         +5.97200000E+014 +1.88000000E-001 +5.12720000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
AC3H4COCH3<=>C3H4-A+CH3CO                         +1.40000000E+013 +0.00000000E+000 +6.00000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: IC3H5COCH3
!===========================================================================================================
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: IC5H12
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: NEOC5H12
!\MECHCOMMENTS: THE SPECIES IC4H6Q2-II DOES NOT APPEAR TO HAVE ANY FORMATION PATHWAY IN C0-C4 OR PENTANE PARTS OF C5 MODULE, JB, CAN YOU EXPLAIN?
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
NEOC5H12<=>TC4H9+CH3                              +7.57000000E+066 -1.43200000E+001 +1.12041000E+005 !\Author: WARNING !\Ref: JB 7 / 10 / 2013 !\Comment: !PRESSURE DEPENDENT UNIMOLECULAR DECOMPOSITION RATE CONSTANTS CALCULATED BY BASED ON LJ PARAMETERS FROM A. W. JASPER, J. A. MILLE 
PLOG /                           +1.00000000E-002 +2.57000000E+105 -2.65300000E+001 +1.23826000E+005 /
PLOG /                           +1.00000000E-001 +1.60000000E+101 -2.49700000E+001 +1.24575000E+005 /
PLOG /                           +3.00000000E-001 +8.94000000E+097 -2.38700000E+001 +1.24190000E+005 /
PLOG /                           +1.00000000E+000 +2.36000000E+093 -2.24000000E+001 +1.23102000E+005 /
PLOG /                           +2.00000000E+000 +1.79000000E+090 -2.14100000E+001 +1.22140000E+005 /
PLOG /                           +5.00000000E+000 +4.00000000E+085 -1.99700000E+001 +1.20475000E+005 /
PLOG /                           +1.00000000E+001 +4.99000000E+081 -1.87700000E+001 +1.18913000E+005 /
PLOG /                           +2.00000000E+001 +3.10000000E+077 -1.74900000E+001 +1.17095000E+005 /
PLOG /                           +5.00000000E+001 +3.55000000E+071 -1.57100000E+001 +1.14337000E+005 /
PLOG /                           +1.00000000E+002 +7.57000000E+066 -1.43200000E+001 +1.12041000E+005 /
NEOC5H12<=>NEOC5H11+H                             +8.76000000E+063 -1.39900000E+001 +1.25858000E+005 !\Author: WARNING !\Ref: JB 7 / 10 / 2013 !\Comment: !PRESSURE DEPENDENT UNIMOLECULAR DECOMPOSITION RATE CONSTANTS CALCULATED BY BASED ON LJ PARAMETERS FROM A. W. JASPER, J. A. MILLE 
PLOG /                           +1.00000000E-002 +1.02000000E+082 -2.06100000E+001 +1.23687000E+005 /
PLOG /                           +1.00000000E-001 +8.02000000E+083 -2.07600000E+001 +1.27660000E+005 /
PLOG /                           +3.00000000E-001 +2.93000000E+083 -2.04400000E+001 +1.28998000E+005 /
PLOG /                           +1.00000000E+000 +7.74000000E+081 -1.97900000E+001 +1.29931000E+005 /
PLOG /                           +2.00000000E+000 +2.90000000E+080 -1.92600000E+001 +1.30191000E+005 /
PLOG /                           +5.00000000E+000 +9.04000000E+077 -1.84000000E+001 +1.30162000E+005 /
PLOG /                           +1.00000000E+001 +3.44000000E+075 -1.76000000E+001 +1.29792000E+005 /
PLOG /                           +2.00000000E+001 +4.17000000E+072 -1.66700000E+001 +1.29063000E+005 /
PLOG /                           +5.00000000E+001 +9.62000000E+067 -1.52200000E+001 +1.27494000E+005 /
PLOG /                           +1.00000000E+002 +8.76000000E+063 -1.39900000E+001 +1.25858000E+005 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
NEOC5H12+O2<=>NEOC5H11+HO2                        +8.40000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NEOC5H12+O<=>NEOC5H11+OH                          +2.26000000E+014 +0.00000000E+000 +7.85000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NEOC5H12+H<=>NEOC5H11+H2                          +6.98000000E+005 +2.69000000E+000 +6.45000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NEOC5H12+OH<=>NEOC5H11+H2O                        +6.56700000E+007 +1.76300000E+000 +7.43200000E+002 !\Author: WARNING !\Ref: R. SIVARAMAKRISHNAN, J. V. MICHAEL, J. PHYS. CHEM. A, 2009, 113, 5047-5060 !\Comment: WARNING 
NEOC5H12+HO2<=>NEOC5H11+H2O2                      +4.16000000E+001 +3.59000000E+000 +1.56000000E+004 !\Author: SP !\Ref: 60% OF NEW RATE !\Comment: WARNING 
NEOC5H12+CH3<=>NEOC5H11+CH4                       +1.80800000E+000 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NEOC5H12+CH3O<=>NEOC5H11+CH3OH                    +6.00000000E+011 +0.00000000E+000 +7.00000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NEOC5H12+CH3O2<=>NEOC5H11+CH3O2H                  +2.77200000E+000 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NEOC5H12+C2H5<=>NEOC5H11+C2H6                     +2.00000000E+011 +0.00000000E+000 +1.34000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NEOC5H12+C2H3<=>NEOC5H11+C2H4                     +2.00000000E+012 +0.00000000E+000 +1.80000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NEOC5H12+O2CHO<=>NEOC5H11+HO2CHO                  +2.77200000E+000 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NEOC5H12+IC4H6OH<=>NEOC5H11+IC4H7OH               +9.40000000E+002 +3.30000000E+000 +1.98400000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NEOC5H12+IC4H7O<=>NEOC5H11+IC4H7OH                +5.40000000E+011 +0.00000000E+000 +4.00000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NEOC5H12+TC3H6CHO<=>NEOC5H11+IC3H7CHO             +9.40000000E+002 +3.30000000E+000 +1.98400000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NEOC5H12+CH2CCH2OH<=>NEOC5H11+C3H5OH              +1.59000000E+012 +0.00000000E+000 +2.05000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NEOC5H12+NEOC5H11O2<=>NEOC5H11+NEOC5H11O2H        +2.41900000E+013 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
NEOC5H11<=>IC4H8+CH3                              +1.81000000E+040 -7.67000000E+000 +4.62550000E+004 !\Author: WARNING !\Ref: H. J. CURRAN INT. J. CHEM. KIN. 2006, 38, 4, 250-275 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.75000000E+032 -6.66000000E+000 +3.11430000E+004 /
PLOG /                           +1.00000000E-001 +2.65000000E+037 -7.68000000E+000 +3.69120000E+004 /
PLOG /                           +1.00000000E+000 +6.53000000E+039 -7.98000000E+000 +4.15540000E+004 /
PLOG /                           +2.00000000E+000 +1.05000000E+040 -7.94000000E+000 +4.26400000E+004 /
PLOG /                           +5.00000000E+000 +1.19000000E+040 -7.83000000E+000 +4.38590000E+004 /
PLOG /                           +1.00000000E+001 +1.13000000E+040 -7.75000000E+000 +4.46270000E+004 /
PLOG /                           +2.00000000E+001 +1.15000000E+040 -7.69000000E+000 +4.52690000E+004 /
PLOG /                           +5.00000000E+001 +1.44000000E+040 -7.66000000E+000 +4.59200000E+004 /
PLOG /                           +1.00000000E+002 +1.81000000E+040 -7.67000000E+000 +4.62550000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>RO2
!___________________________________________________________________________________________________________ 
NEOC5H11+O2<=>NEOC5H11O2                          +6.86500000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: A. MIYOSHI. INT. J. CHEM. KIN. 2012, 44, 1, 59-74 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
NEOC5H11+HO2<=>NEOC5H11O+OH                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NEOC5H11+CH3O2<=>NEOC5H11O+CH3O                   +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NEOC5H11+NEOC5H11O2<=>NEOC5H11O+NEOC5H11O         +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>QOOH
!___________________________________________________________________________________________________________ 
NEOC5H11O2<=>NEOC5H10OOH                          +1.19800000E+009 +1.20000000E+000 +2.16000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2+HO2<=>RO2H+O2
!___________________________________________________________________________________________________________ 
NEOC5H11O2+HO2<=>NEOC5H11O2H+O2                   +1.75000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NEOC5H11O2+H2O2<=>NEOC5H11O2H+HO2                 +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2+RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
NEOC5H11O2+CH3O2=>NEOC5H11O+CH3O+O2               +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NEOC5H11O2+NEOC5H11O2=>NEOC5H11O+NEOC5H11O+O2     +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: KHP_HOMOLYTIC_FISSION
!___________________________________________________________________________________________________________ 
NEOC5H11O2H<=>NEOC5H11O+OH                        +2.09400000E+017 -4.00000000E-001 +4.51100000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO_DECOMPOSITION
!___________________________________________________________________________________________________________ 
CH2O+TC4H9<=>NEOC5H11O                            +5.00000000E+010 +0.00000000E+000 +2.33000000E+003 !\Author: WARNING !\Ref: H. J. CURRAN INT. J. CHEM. KIN. 2006, 38, 4, 250-275 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH<=>CYCETH+OH
!___________________________________________________________________________________________________________ 
NEOC5H10OOH<=>NEO-C5H10O+OH                       +6.34000000E+011 +0.00000000E+000 +1.73423000E+004 !\Author: !SD RATE CONSTANTS UPDATED WITH LLNL RATE RULES !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
NEOC5H10OOH=>OH+CH2O+IC4H8                        +3.64000000E+009 +1.30000000E+000 +2.37000000E+004 !\Author: WARNING !\Ref: S. M. VILLANO, L. K. HUYNH, H. -H. CARSTENSEN, A. M. DEAN. J. PHYS. CHEM. A 2012, 116, 5068-5089 !\Comment: WARNING 
NEOC5H10OOH<=>IC4H7OOH+CH3                        +1.64000000E+007 +2.00000000E+000 +2.83000000E+004 !\Author: WARNING !\Ref: S. M. VILLANO, L. K. HUYNH, H. -H. CARSTENSEN, A. M. DEAN. J. PHYS. CHEM. A 2012, 116, 5068-5089 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH+O2<=>O2QOOH
!___________________________________________________________________________________________________________ 
NEOC5H10OOH+O2<=>NEOC5H10OOH-O2                   +3.43300000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: A. MIYOSHI. INT. J. CHEM. KIN. 2012, 44, 1, 59-74 !A*0.5 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: O2QOOH<=>POOH
!___________________________________________________________________________________________________________ 
NEOC5H10OOH-O2<=>NEOC5H9Q2                        +7.98700000E+008 +1.20000000E+000 +2.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: O2QOOH<=>KHP+OH
!___________________________________________________________________________________________________________ 
NEOC5H10OOH-O2<=>NEOC5KET+OH                      +5.18800000E+004 +1.90000000E+000 +1.88000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !O2CH2CH2CH2OOH<=>HO2CH2CH2CHO+OH ANALOGY !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: POOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
NEOC5H9Q2<=>IC4H7OOH+CH2O2H                       +3.64000000E+009 +1.30000000E+000 +2.37000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NEOC5H9Q2<=>IC4H6Q2-II+CH3                        +1.64000000E+007 +2.00000000E+000 +2.83000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: KHP_HOMOLYTIC_FISSION
!___________________________________________________________________________________________________________ 
NEOC5KET<=>NEOC5KETOX+OH                          +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NEOC5KETOX<=>TC3H6CHO+CH2O                        +2.47500000E+021 -2.54000000E+000 +1.58300000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: POOH<=>CETH-OOH+OH
!___________________________________________________________________________________________________________ 
NEOC5H9Q2<=>NEOC5H9O-OOH+OH                       +6.34000000E+011 +0.00000000E+000 +1.73423000E+004 !\Author: !SD !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: CETH-OOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
NEOC5H9O-OOH=>C3H5-T+CH2O+CH2O+OH                 +1.00000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: CETH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
NEO-C5H10O+OH<=>TC4H8CHO+H2O                      +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NEO-C5H10O+OH=>IC4H7+CH2O+H2O                     +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NEO-C5H10O+HO2<=>TC4H8CHO+H2O2                    +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NEO-C5H10O+HO2=>IC4H7+CH2O+H2O2                   +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NEO-C5H10O+H<=>TC4H8CHO+H2                        +3.54400000E+007 +2.00000000E+000 +5.00000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NEO-C5H10O+H=>IC4H7+CH2O+H2                       +1.33000000E+006 +2.54000000E+000 +6.75600000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NEO-C5H10O<=>IC4H8+CH2O                           +3.80000000E+015 +0.00000000E+000 +6.07000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: MISC
!___________________________________________________________________________________________________________ 
NEOC5KETOX<=>NEOC5KEJOL                           +1.20300000E+009 +1.19900000E+000 +1.36007000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NEOC5KEJOL<=>IC4H8OH+CO                           +2.27300000E+021 -2.34000000E+000 +1.10200000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: NEOC5H12
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C5H10-1C5H10-2
!\MECHCOMMENTS: KPS, 22 / 07 / 2015 THERE SEVERAL REASONS WHY I HAVE ADDED THE C5-ENES AS SUBMECHANISMS
!\MECHCOMMENTS: 1) SO THEY CAN BE EASILY RECOGNISED /SEPERATED FROM OXIDATION PATHWAYS
!\MECHCOMMENTS: 2. THEY ARE COMPONENTS OF GASOLINES AND GOOD MODEL COMPONENTS FOR GASOLINE SURROGATES, AND SO UPDATING THEIR CHEMISTRY WITH MORE DETAIL BASED ON
!\MECHCOMMENTS: CWS IC4H8 MECHANISM COULD BE WORTHWILE, AS THEY ARE REQUIRED TO ACCURATELY MODEL THE DISTILLATION CURVE OF A REAL FUEL AND CAN BE USED AS
!\MECHCOMMENTS: SENSITIVITY INDUCING COMPONENT AS THEIR RON IS NOT EQUAL MON. 1-PENTENE IS ALSO A GOOD CANDIDATE FOR SURROGATE FUELS.
!\MECHCOMMENTS: KPS, 22 / 07 / 215 JB HAD PATHWAYS FORMING AC5H10 AND ITS DERIVATIVES IN HIS PENTANE MECHANISM
!\MECHCOMMENTS: THE SPECIES AC5H9-A2 APPEARS TO HAVE 4 REACTIONS IN JBS PENTANES BUT NO FORMATION PATHWAYS.
!\MECHCOMMENTS: CWZ APPEARS TO HAVE MUCH MORE DETAILED CHEMISTRY FOR AC5H10 SO WE NEED TO DISCUSS C5H10 ISOMERS AS SEPERATE SUBMECHANISMS
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C5H10-1<=>C3H6+C2H4                               +3.16000000E+012 +0.00000000E+000 +5.74243000E+004 !\Author: WARNING !\Ref: TSANG, WING. INTERNATIONAL JOURNAL OF CHEMICAL KINETICS 10.6(1978) !\Comment: WARNING 
C5H10-1<=>C3H5-A+C2H5                             +1.00000000E+016 +0.00000000E+000 +7.13333000E+004 !\Author: WARNING !\Ref: TSANG, WING. INTERNATIONAL JOURNAL OF CHEMICAL KINETICS 10.6(1978) !\Comment: WARNING 
C5H10-1<=>CH3+C4H71-4                             +1.12000000E+020 -1.07000000E+000 +8.90960000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +1.23000000E+059 -1.29800000E+001 +1.05225000E+005 /
PLOG /                           +1.00000000E+000 +1.08000000E+046 -8.93000000E+000 +1.00335000E+005 /
PLOG /                           +1.00000000E+001 +2.06000000E+033 -5.05000000E+000 +9.50220000E+004 /
PLOG /                           +1.00000000E+002 +2.05000000E+024 -2.34000000E+000 +9.10430000E+004 /
PLOG /                           +1.00000000E+003 +1.12000000E+020 -1.07000000E+000 +8.90960000E+004 /
C5H10-1<=>C2H3+NC3H7                              +1.35000000E+022 -1.62000000E+000 +1.01739000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +4.54000000E+062 -1.41900000E+001 +1.17076000E+005 /
PLOG /                           +1.00000000E+000 +2.83000000E+053 -1.11700000E+001 +1.14656000E+005 /
PLOG /                           +1.00000000E+001 +1.40000000E+040 -7.06000000E+000 +1.09574000E+005 /
PLOG /                           +1.00000000E+002 +3.41000000E+028 -3.54000000E+000 +1.04616000E+005 /
PLOG /                           +1.00000000E+003 +1.35000000E+022 -1.62000000E+000 +1.01739000E+005 /
C5H10-2<=>CH3+C4H71-1                             +3.41000000E+019 -9.70000000E-001 +1.01980000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +2.31000000E+060 -1.36800000E+001 +1.17109000E+005 /
PLOG /                           +1.00000000E+000 +2.27000000E+052 -1.10000000E+001 +1.15428000E+005 /
PLOG /                           +1.00000000E+001 +6.34000000E+038 -6.79000000E+000 +1.10351000E+005 /
PLOG /                           +1.00000000E+002 +2.39000000E+026 -3.03000000E+000 +1.05058000E+005 /
PLOG /                           +1.00000000E+003 +3.41000000E+019 -9.70000000E-001 +1.01980000E+005 /
C5H10-2<=>C3H5-S+C2H5                             +2.94000000E+021 -1.46000000E+000 +1.00482000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +5.89000000E+062 -1.42800000E+001 +1.16015000E+005 /
PLOG /                           +1.00000000E+000 +8.48000000E+053 -1.13600000E+001 +1.13879000E+005 /
PLOG /                           +1.00000000E+001 +1.58000000E+040 -7.11000000E+000 +1.08650000E+005 /
PLOG /                           +1.00000000E+002 +1.09000000E+028 -3.43000000E+000 +1.03442000E+005 /
PLOG /                           +1.00000000E+003 +2.94000000E+021 -1.46000000E+000 +1.00482000E+005 /
C5H10-2<=>CH3+C4H71-3                             +8.67000000E+016 -3.60000000E-001 +7.39430000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +1.95000000E+049 -1.01300000E+001 +8.80280000E+004 /
PLOG /                           +1.00000000E+000 +2.89000000E+036 -6.23000000E+000 +8.26750000E+004 /
PLOG /                           +1.00000000E+001 +9.31000000E+025 -3.06000000E+000 +7.80670000E+004 /
PLOG /                           +1.00000000E+002 +3.41000000E+019 -1.14000000E+000 +7.51450000E+004 /
PLOG /                           +1.00000000E+003 +8.67000000E+016 -3.60000000E-001 +7.39430000E+004 /
C5H10-1<=>H+C5H91-3                               +4.17000000E+012 +4.20000000E-001 +8.44910000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +2.27000000E+049 -1.07400000E+001 +9.99910000E+004 /
PLOG /                           +1.00000000E+000 +1.29000000E+036 -6.67000000E+000 +9.47800000E+004 /
PLOG /                           +1.00000000E+001 +1.55000000E+024 -3.05000000E+000 +8.97010000E+004 /
PLOG /                           +1.00000000E+002 +1.64000000E+016 -6.60000000E-001 +8.61410000E+004 /
PLOG /                           +1.00000000E+003 +4.17000000E+012 +4.20000000E-001 +8.44910000E+004 /
C5H10-1<=>H+C5H91-4                               +4.55000000E+016 -4.50000000E-001 +9.88590000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +3.69000000E+057 -1.30700000E+001 +1.14732000E+005 /
PLOG /                           +1.00000000E+000 +1.10000000E+047 -9.70000000E+000 +1.11553000E+005 /
PLOG /                           +1.00000000E+001 +4.04000000E+033 -5.56000000E+000 +1.06282000E+005 /
PLOG /                           +1.00000000E+002 +3.43000000E+022 -2.21000000E+000 +1.01512000E+005 /
PLOG /                           +1.00000000E+003 +4.55000000E+016 -4.50000000E-001 +9.88590000E+004 /
C5H10-1<=>H+C5H91-5                               +2.37000000E+015 -1.00000000E-002 +1.00823000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +1.17000000E+056 -1.26100000E+001 +1.16353000E+005 /
PLOG /                           +4.00000000E-001 +1.00000000E+051 -1.09300000E+001 +1.15171000E+005 /
PLOG /                           +5.00000000E-001 +9.13000000E+049 -1.05900000E+001 +1.14854000E+005 /
PLOG /                           +1.00000000E+000 +2.62000000E+046 -9.47000000E+000 +1.13681000E+005 /
PLOG /                           +1.00000000E+001 +1.13000000E+033 -5.35000000E+000 +1.08529000E+005 /
PLOG /                           +1.00000000E+002 +4.05000000E+021 -1.88000000E+000 +1.03628000E+005 /
PLOG /                           +1.00000000E+003 +2.37000000E+015 -1.00000000E-002 +1.00823000E+005 /
C5H10-2<=>H+C5H91-3                               +2.67000000E+012 +5.80000000E-001 +8.72470000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +7.13000000E+052 -1.17500000E+001 +1.03961000E+005 /
PLOG /                           +1.00000000E+000 +2.83000000E+039 -7.59000000E+000 +9.89630000E+004 /
PLOG /                           +1.00000000E+001 +1.49000000E+026 -3.55000000E+000 +9.34040000E+004 /
PLOG /                           +1.00000000E+002 +5.91000000E+016 -7.20000000E-001 +8.92350000E+004 /
PLOG /                           +1.00000000E+003 +2.67000000E+012 +5.80000000E-001 +8.72470000E+004 /
C5H10-2<=>H+C5H92-4                               +6.30000000E+012 +3.50000000E-001 +8.33320000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +2.34000000E+051 -1.13700000E+001 +9.95750000E+004 /
PLOG /                           +1.00000000E+000 +4.92000000E+037 -7.15000000E+000 +9.42400000E+004 /
PLOG /                           +1.00000000E+001 +1.21000000E+025 -3.33000000E+000 +8.88690000E+004 /
PLOG /                           +1.00000000E+002 +3.73000000E+016 -7.70000000E-001 +8.50650000E+004 /
PLOG /                           +1.00000000E+003 +6.30000000E+012 +3.50000000E-001 +8.33320000E+004 /
C5H10-2<=>H+C5H92-5                               +6.17000000E+015 -1.20000000E-001 +1.00851000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +9.70000000E+056 -1.29100000E+001 +1.16291000E+005 /
PLOG /                           +1.00000000E+000 +2.21000000E+048 -1.00500000E+001 +1.14265000E+005 /
PLOG /                           +1.00000000E+001 +4.51000000E+034 -5.81000000E+000 +1.09069000E+005 /
PLOG /                           +1.00000000E+002 +2.67000000E+022 -2.11000000E+000 +1.03839000E+005 /
PLOG /                           +1.00000000E+003 +6.17000000E+015 -1.20000000E-001 +1.00851000E+005 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C5H10-1+CH3<=>C5H91-1+CH4                         +7.19000000E+002 +2.93800000E+000 +1.39130000E+004 !\Author: SD !\Ref: WANG, KUN, ET AL. "FUNDAMENTALLY-BASED KINETIC MODEL FOR PROPENE PYROLYSIS." COMBUSTION AND FLAME 162.12(2015) !\Comment: WARNING 
C5H10-1+CH3<=>C5H91-2+CH4                         +8.15000000E+005 +1.87000000E+000 +1.37900000E+004 !\Author: SD !\Ref: WANG, KUN, ET AL. "FUNDAMENTALLY-BASED KINETIC MODEL FOR PROPENE PYROLYSIS." COMBUSTION AND FLAME 162.12(2015) !\Comment: WARNING 
C5H10-1+CH3<=>C5H91-3+CH4                         +1.69400000E+002 +3.12000000E+000 +5.78000000E+003 !\Author: SD !\Ref: WANG, KUN, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.9(2015) !\Comment: WARNING 
C5H10-1+CH3<=>C5H91-4+CH4                         +8.40000000E+004 +2.13300000E+000 +7.57400000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE ! !\Comment: WARNING 
C5H10-1+CH3<=>C5H91-5+CH4                         +4.52000000E-001 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: W. TSANG, J. PHYS. CHEM. REF. DATA, 17, 1988, 887-951 !\Comment: WARNING 
C5H10-1+CH3O<=>C5H91-3+CH3OH                      +1.45000000E+011 +0.00000000E+000 +2.97100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H10-1+CH3O<=>C5H91-4+CH3OH                      +1.45000000E+011 +0.00000000E+000 +4.57100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H10-1+CH3O<=>C5H91-5+CH3OH                      +2.17000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: WARNING !\Ref: IN ARAMCO(TSANG '91) !\Comment: WARNING 

!DONG 0605!C5H10-1+CH3O2<=>C5H91-3+CH3O2H                    +3.91000000E-001 +3.97000000E+000 +1.37020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
!DONG 0605!C5H10-1+CH3O2<=>C5H91-4+CH3O2H                    +6.32000000E+001 +3.37000000E+000 +1.57200000E+004 !\Author: WARNING !\Ref: J. AGUILERA-IPARRAGUIRRE, H. J. CURRAN, W. KLOPPER, J. M. SIMMIE, J. PHYS. CHEM. A, 112, 2008, 7047-7054 !\Comment: WARNING 
!DONG 0605!C5H10-1+CH3O2<=>C5H91-5+CH3O2H                    +2.04000000E+001 +3.59000000E+000 +1.91600000E+004 !\Author: WARNING !\Ref: J. AGUILERA-IPARRAGUIRRE, H. J. CURRAN, W. KLOPPER, J. M. SIMMIE, J. PHYS. CHEM. A, 112, 2008, 7047-7054 !\Comment: WARNING 
C5H10-1+CH3O2<=>C5H91-3+CH3O2H                    +7.82000000E-001 +3.97000000E+000 +1.37020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C5H10-1+CH3O2<=>C5H91-4+CH3O2H                    +6.32000000E+001 +3.37000000E+000 +1.52200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C5H10-1+CH3O2<=>C5H91-5+CH3O2H                    +1.04000000E+001 +3.59000000E+000 +1.76000000E+004 !\Author: SP !\Ref: 60% OF NEW FIT !\Comment: WARNING

C5H10-1+H<=>C5H91-1+H2                            +7.29100000E+005 +2.47300000E+000 +1.28670000E+004 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C5H10-1+H<=>C5H91-2+H2                            +4.81200000E+006 +2.16500000E+000 +9.67858000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C5H10-1+H<=>C5H91-3+H2                            +4.53300000E+005 +2.48700000E+000 +2.48324000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C5H10-1+H<=>C5H91-4+H2                            +6.55700000E+005 +2.46200000E+000 +4.67850000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C5H10-1+H<=>C5H91-5+H2                            +5.52400000E+004 +2.80900000E+000 +6.78265000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 

AC5H10+H<=>AC5H9-A1+H2                             2.17E+06           2.36E+00         1.35E+04!\Author: JP /KPS !\Ref: !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
AC5H10+H<=>AC5H9-A2+H2                             9.57E+02           3.26E+00         3.66E+03!\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
AC5H10+H<=>AC5H9-C+H2                              2.79E+05           2.62E+00         2.62E+03!\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
AC5H10+H<=>AC5H9-D+H2                              3.72E+05           2.52E+00         7.21E+03!\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
BC5H10+H<=>AC5H9-C+H2                              1.26E+04           3.02E+00         3.24E+03!\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
BC5H10+H<=>BC5H9-C+H2                              4.38E+05           2.44E+00         1.01E+04!\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
BC5H10+H<=>CC5H9-B+H2                              5.51E+03           3.03E+00         3.11E+03!\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
CC5H10+H<=>CC5H9-A+H2                              1.49E+05           2.72E+00         6.97E+03!\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
CC5H10+H<=>CC5H9-B+H2                              1.94E+06           2.20E+00         2.31E+03!\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
CC5H10+H<=>CC5H9-C+H2                              2.63E+05           2.48E+00         9.71E+03!\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
CC5H10+H<=>CC5H9-D+H2                              1.45E+06           2.43E+00         1.31E+04!\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 

!DONG 0423, DECOMPOSITION PATHWAYS ADDED
AC5H9-A1+O2<=>HCO+C2H5COCH3                       +1.32000000E+021 -2.49000000E+000 +8.43900000E+003 !\Author: SD !\Ref: WARNING !\Comment: IC4H7-I1+O2<=>CH3COCH3+HCO 
CC5H9-C<=>C4H612+CH3                              +5.59000000E+014 -3.30000000E-001 +3.21000000E+004 !\Author: SD !\Ref: WARNING !\Comment: CC5H11<=>C4H8-2+CH3
CC5H9-C+O2<=>CH2O+IC3H7CO                         +9.27000000E+021 -2.74000000E+000 +9.36400000E+003 !C5H91-2+O2<=>CH2O+NC3H7CO \Author: SD !\Ref: WARNING !\Comment: WARNING 
CC5H9-D<=>C2H2+IC3H7                              +3.19103803E+033 -5.83215547E+000 +4.12650934E+004 !C5H91-1<=>C2H2+NC3H7 \Author: SD !\Ref: WARNING !\Comment: WARNING 
CC5H9-D+O2=>H+CO+IC3H7CHO                         +3.08000000E+021 -2.49000000E+000 +8.43900000E+003 !C5H91-1+O2=>H+CO+NC3H7CHO \Author: SD !\Ref: WARNING !\Comment: WARNING 

C5H10-1+HO2<=>C5H91-1+H2O2                        +9.57000000E+002 +3.05900000E+000 +2.07986000E+004 !\Author: SD !\Ref: ANALOGY WITH C3H6+HO2 !\Comment: WARNING 
C5H10-1+HO2<=>C5H91-2+H2O2                        +1.56000000E+004 +2.82000000E+000 +2.44279000E+004 !\Author: SD !\Ref: ANALOGY WITH C3H6+HO2 !\Comment: WARNING 
C5H10-1+HO2<=>C5H91-3+H2O2                        +7.82000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C5H10-1+HO2<=>C5H91-4+H2O2                        +7.87600000E+001 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: J. AGUILERA-IPARRAGUIRRE, H. J. CURRAN, W. KLOPPER, J. M. SIMMIE, J. PHYS. CHEM. A, 112, 2008, 7047-7054 !\Comment: WARNING 
C5H10-1+HO2<=>C5H91-5+H2O2                        +1.04000000E+001 +3.59000000E+000 +1.56000000E+004 !\Author: SD !\Ref: 60% OF NEW RATE !\Comment: WARNING 
C5H10-1+O<=>C5H91-1+OH                            +1.20000000E+011 +7.00000000E-001 +8.95910000E+003 !\Author: SD !\Ref: ANALOGY WITH C2H4+O !\Comment: WARNING 
C5H10-1+O<=>C5H91-2+OH                            +6.03000000E+010 +7.00000000E-001 +7.63200000E+003 !\Author: SD !\Ref: ANALOGY WITH C2H4+O !\Comment: WARNING 
C5H10-1+O<=>C5H91-3+OH                            +6.47000000E-003 +4.54000000E+000 -4.66980000E+003 !\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C5H10-1+O<=>C5H91-4+OH                            +2.81000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: WARNING !\Ref: J. V. MICHAEL, D. G. KEIL, R. B. KLEMM, INT. J. CHEM. KINET., 15, 1983, 705-719 !\Comment: WARNING 
C5H10-1+O<=>C5H91-5+OH                            +5.65000000E+013 +0.00000000E+000 +7.85000000E+003 !\Author: WARNING !\Ref: J. V. MICHAEL, D. G. KEIL, R. B. KLEMM, INT. J. CHEM. KINET., 15, 1983, 705-719 !\Comment: WARNING 
C5H10-1+O2<=>C5H91-1+HO2                          +2.00000000E+013 +0.00000000E+000 +6.22700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H10-1+O2<=>C5H91-2+HO2                          +1.00000000E+013 +0.00000000E+000 +5.87700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H10-1+O2<=>C5H91-3+HO2                          +6.06000000E+001 +3.45000000E+000 +3.46000000E+004 !\Author: SD !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C5H10-1+O2<=>C5H91-4+HO2                          +1.40000000E+013 +0.00000000E+000 +5.01600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H10-1+O2<=>C5H91-5+HO2                          +2.10000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H10-1+OH<=>C5H91-1+H2O                          +6.93000000E+006 +1.92000000E+000 +4.96200000E+003 !\Author: WARNING !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: WARNING 
C5H10-1+OH<=>C5H91-2+H2O                          +3.00000000E+006 +1.97000000E+000 +2.84800000E+003 !\Author: WARNING !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: WARNING 
!DONG 0217!C5H10-1+OH<=>C5H91-3+H2O                          +2.02000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: WARNING !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: WARNING 
C5H10-1+OH<=>C5H91-3+H2O                          +1.21200000E+006 +2.20000000E+000 -4.37200000E+002 !A*0.6 \Author: WARNING !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: WARNING 

!DONG 0406!C5H10-1+OH<=>C5H91-3+H2O                           2.76E+04    2.600   -1919 !\AUTHOR: !\Ref:

C5H10-1+OH<=>C5H91-4+H2O                          +7.05000000E+009 +9.35000000E-001 +5.04700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H10-1+OH<=>C5H91-5+H2O                          +1.36600000E+007 +1.81300000E+000 +8.68400000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H10-2+CH3<=>C5H91-3+CH4                         +7.89000000E+001 +3.24000000E+000 +7.03000000E+003 !\Author: SD !\Ref: WANG, KUN, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.9(2015) !\Comment: WARNING 
C5H10-2+CH3<=>C5H92-2+CH4                         +8.15000000E+005 +1.87000000E+000 +1.37900000E+004 !\Author: SD !\Ref: WANG, KUN, ET AL. "FUNDAMENTALLY-BASED KINETIC MODEL FOR PROPENE PYROLYSIS." COMBUSTION AND FLAME 162.12(2015) !\Comment: WARNING 
C5H10-2+CH3<=>C5H92-3+CH4                         +8.15000000E+005 +1.87000000E+000 +1.37900000E+004 !\Author: SD !\Ref: WANG, KUN, ET AL. "FUNDAMENTALLY-BASED KINETIC MODEL FOR PROPENE PYROLYSIS." COMBUSTION AND FLAME 162.12(2015) !\Comment: WARNING 
C5H10-2+CH3<=>C5H92-4+CH4                         +2.40000000E+002 +3.09000000E+000 +5.73000000E+003 !\Author: SD !\Ref: WANG, KUN, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.9(2015) !\Comment: WARNING 
C5H10-2+CH3<=>C5H92-5+CH4                         +4.52000000E-001 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: W. TSANG, J. PHYS. CHEM. REF. DATA, 17, 1988, 887-951 !\Comment: WARNING 
C5H10-2+CH3O<=>C5H91-3+CH3OH                      +2.17000000E+011 +0.00000000E+000 +4.85800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H10-2+CH3O<=>C5H92-4+CH3OH                      +1.45000000E+011 +0.00000000E+000 +2.97100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H10-2+CH3O<=>C5H92-5+CH3OH                      +2.17000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: WARNING !\Ref: IN ARAMCO(TSANG '91) !\Comment: WARNING 

!DONG 0601
!C5H10-2+CH3O2<=>C5H91-3+CH3O2H                    +1.72000000E-001 +4.00000000E+000 +1.41030000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
!C5H10-2+CH3O2<=>C5H92-4+CH3O2H                    +3.91000000E-001 +3.97000000E+000 +1.37020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
!C5H10-2+CH3O2<=>C5H92-5+CH3O2H                    +2.04000000E+001 +3.59000000E+000 +1.91600000E+004 !\Author: WARNING !\Ref: J. AGUILERA-IPARRAGUIRRE, H. J. CURRAN, W. KLOPPER, J. M. SIMMIE, J. PHYS. CHEM. A, 112, 2008, 7047-7054 !\Comment: WARNING 
C5H10-2+CH3O2<=>C5H91-3+CH3O2H                    +3.44000000E-001 +4.00000000E+000 +1.41030000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C5H10-2+CH3O2<=>C5H92-4+CH3O2H                    +7.82000000E-001 +3.97000000E+000 +1.37020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C5H10-2+CH3O2<=>C5H92-5+CH3O2H                    +1.04000000E+001 +3.59000000E+000 +1.76000000E+004 !\Author: SP !\Ref: 60% OF NEW FIT !\Comment: WARNING 
!

C5H10-2+H<=>C5H91-3+H2                            +1.05900000E+004 +2.98000000E+000 +3.37790000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C5H10-2+H<=>C5H92-2+H2                            +4.81400000E+005 +2.43600000E+000 +1.02493000E+004 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C5H10-2+H<=>C5H92-3+H2                            +7.34900000E+005 +2.38700000E+000 +1.01723000E+004 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C5H10-2+H<=>C5H92-4+H2                            +5.46500000E+005 +2.47000000E+000 +2.74141000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C5H10-2+H<=>C5H92-5+H2                            +2.52000000E+005 +2.62500000E+000 +7.01059000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C5H10-2+HO2<=>C5H92-2+H2O2                        +1.56000000E+004 +2.82000000E+000 +2.44279000E+004 !\Author: SD !\Ref: ANALOGY WITH C3H6+HO2 !\Comment: WARNING 
C5H10-2+HO2<=>C5H92-3+H2O2                        +1.56000000E+004 +2.82000000E+000 +2.44279000E+004 !\Author: SD !\Ref: ANALOGY WITH C3H6+HO2 !\Comment: WARNING 
C5H10-2+HO2<=>C5H91-3+H2O2                        +3.44000000E-001 +4.00000000E+000 +1.21030000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C5H10-2+HO2<=>C5H92-4+H2O2                        +7.82000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C5H10-2+HO2<=>C5H92-5+H2O2                        +1.04000000E+001 +3.59000000E+000 +1.56000000E+004 !\Author: SD !\Ref: 60% OF NEW RATE !\Comment: WARNING 
C5H10-2+O<=>C5H91-3+OH                            +9.68000000E-003 +4.54000000E+000 -2.46980000E+003 !\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C5H10-2+O<=>C5H92-2+OH                            +6.03000000E+010 +7.00000000E-001 +7.63200000E+003 !\Author: SD !\Ref: ANALOGY WITH C2H4+O !\Comment: WARNING 
C5H10-2+O<=>C5H92-3+OH                            +6.03000000E+010 +7.00000000E-001 +7.63200000E+003 !\Author: SD !\Ref: ANALOGY WITH C2H4+O !\Comment: WARNING 
C5H10-2+O<=>C5H92-4+OH                            +6.47000000E-003 +4.54000000E+000 -4.66980000E+003 !\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C5H10-2+O<=>C5H92-5+OH                            +5.65000000E+013 +0.00000000E+000 +7.85000000E+003 !\Author: WARNING !\Ref: J. V. MICHAEL, D. G. KEIL, R. B. KLEMM, INT. J. CHEM. KINET., 15, 1983, 705-719 !\Comment: WARNING 
C5H10-2+O2<=>C5H91-3+HO2                          +3.87000000E+001 +3.52000000E+000 +3.62000000E+004 !\Author: WARNING !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C5H10-2+O2<=>C5H92-2+HO2                          +1.00000000E+013 +0.00000000E+000 +5.87700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H10-2+O2<=>C5H92-3+HO2                          +1.00000000E+013 +0.00000000E+000 +5.87700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H10-2+O2<=>C5H92-4+HO2                          +6.06000000E+001 +3.45000000E+000 +3.46000000E+004 !\Author: WARNING !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C5H10-2+O2<=>C5H92-5+HO2                          +2.10000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H10-2+OH<=>C5H91-3+H2O                          +4.46000000E+006 +2.07200000E+000 +1.05080000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H10-2+OH<=>C5H92-2+H2O                          +3.00000000E+006 +1.97000000E+000 +2.84800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H10-2+OH<=>C5H92-3+H2O                          +3.00000000E+006 +1.97000000E+000 +2.84800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H10-2+OH<=>C5H92-4+H2O                          +2.02000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H10-2+OH<=>C5H92-5+H2O                          +1.36600000E+007 +1.81300000E+000 +8.68400000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: ALLYLIC_RADICALREACTIONS
!___________________________________________________________________________________________________________ 
C5H91-3+CH3(+M)<=>C6H12-3(+M)                     +5.00000000E+013 -3.20000000E-001 -2.62300000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
LOW /                                             +1.95500000E+060 -1.28100000E+001 +6.25000000E+003 /
TROE /                           +1.04000000E-001 +1.60600000E+003 +6.00000000E+004 +6.11800000E+003 /
AR / +0.7000 / CO / +1.5000 / CO2 / +2.0000 / H2 / +2.0000 / CH4 / +2.0000 / C2H6 / +3.0000 / H2O / +6.0000 / 
C5H91-3+CH3(+M)<=>I3C6D1(+M)                      +1.00000000E+014 -3.20000000E-001 -2.62300000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
LOW /                                             +3.91000000E+060 -1.28100000E+001 +6.25000000E+003 /
TROE /                           +1.04000000E-001 +1.60600000E+003 +6.00000000E+004 +6.11800000E+003 /
AR / +0.7000 / CO / +1.5000 / CH4 / +2.0000 / H2 / +2.0000 / CO2 / +2.0000 / C2H6 / +3.0000 / H2O / +6.0000 / 
C5H92-4+CH3(+M)<=>IC6D3(+M)                       +2.00000000E+014 -3.20000000E-001 -2.62300000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
LOW /                                             +7.82000000E+060 -1.28100000E+001 +6.25000000E+003 /
TROE /                           +1.04000000E-001 +3.21200000E+003 +6.00000000E+004 +6.11800000E+003 /
AR / +0.7000 / CO / +1.5000 / CO2 / +2.0000 / CH4 / +2.0000 / H2 / +2.0000 / C2H6 / +3.0000 / H2O / +6.0000 / 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONO
!___________________________________________________________________________________________________________ 
C5H10-1+O<=>PC4H8CHO-1+H                          +1.17000000E-003 +4.94000000E+000 -2.42280000E+003 !\Author: WARNING !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
C5H10-1+O<=>NC3H7COCH2+H                          +1.17000000E-003 +4.94000000E+000 -2.42280000E+003 !\Author: SD !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
C5H10-1+O<=>CH2CHO+NC3H7                          +9.24000000E+008 +1.20000000E+000 -2.38300000E+002 !\Author: SD !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
C5H10-1+O<=>PC4H9+HCO                             +6.23000000E+009 +7.90000000E-001 -1.47000000E+002 !\Author: SD !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
C5H10-1+O<=>C4H8-1+CH2O                           +1.46000000E+005 +2.36500000E+000 -8.32100000E+002 !\Author: SD !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
C5H10-2+O<=>CH3CH2CHCOCH3+H                       +1.17000000E-003 +4.94000000E+000 -2.42280000E+003 !\Author: SD !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
C5H10-2+O<=>CH3CHCOC2H5+H                         +1.17000000E-003 +4.94000000E+000 -2.42280000E+003 !\Author: SD !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
C5H10-2+O<=>C3H6CHO-1+CH3                         +9.24000000E+008 +1.20000000E+000 -2.38300000E+002 !\Author: SD !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
C5H10-2+O<=>CH3CHCHO+C2H5                         +9.24000000E+008 +1.20000000E+000 -2.38300000E+002 !\Author: SD !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
C5H10-2+O<=>NC3H7+CH3CO                           +6.23000000E+009 +7.90000000E-001 -1.47000000E+002 !\Author: SD !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
C5H10-2+O<=>C3H6+CH3CHO                           +1.46000000E+005 +2.36500000E+000 -8.32100000E+002 !\Author: SD !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
C5H10-2+O<=>C2H5+C2H5CO                           +6.23000000E+009 +7.90000000E-001 -1.47000000E+002 !\Author: SD !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
C5H10-2+O<=>C2H4+C2H5CHO                          +1.46000000E+005 +2.36500000E+000 -8.32100000E+002 !\Author: SD !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONOH
!___________________________________________________________________________________________________________ 
!DONG 0217!C5H10-1+OH<=>C5H10OH12                            +5.58000000E+018 -2.03000000E+000 -4.00000000E-001 !\Author: WARNING !\Ref: ANTONOV, IVAN O., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A119.28(2015) !\Comment: WARNING 
!DONG 0217!PLOG /                           +9.87000000E-004 +1.65000000E+039 -9.21000000E+000 +3.56500000E+003 /
!DONG 0217!PLOG /                           +9.87000000E-004 +5.58000000E-040 +1.56000000E+001 -1.04000000E+004 /
!DONG 0217!PLOG /                           +9.87000000E-003 +2.55000000E+063 -1.66700000E+001 +1.26000000E+004 /
!DONG 0217!PLOG /                           +9.87000000E-003 +2.57000000E+026 -4.90000000E+000 +8.77900000E+002 /
!DONG 0217!PLOG /                           +9.87000000E-002 +2.90000000E+072 -1.90200000E+001 +1.89400000E+004 /
!DONG 0217!PLOG /                           +9.87000000E-002 +2.33000000E+023 -3.72000000E+000 +5.66500000E+002 /
!DONG 0217!PLOG /                           +9.87000000E-001 +2.30000000E+026 -4.36000000E+000 +3.21500000E+003 /
!DONG 0217!PLOG /                           +9.87000000E-001 +4.47000000E+026 -5.01000000E+000 +8.81100000E+002 /
!DONG 0217!PLOG /                           +9.87000000E+000 +1.24000000E+025 -4.41000000E+000 +7.22000000E+002 /
!DONG 0217!PLOG /                           +9.87000000E+000 +6.87000000E+020 -2.50000000E+000 +2.16000000E+003 /
!DONG 0217!PLOG /                           +9.87000000E+001 +5.58000000E+018 -2.03000000E+000 -4.00000000E-001 /
!DONG 0217!PLOG /                           +9.87000000E+001 +1.48000000E+021 -2.39000000E+000 +5.54300000E+003 /
!DONG 0217!C5H10-1+OH<=>C5H10OH21                            +1.86000000E+018 -2.03000000E+000 -4.00000000E-001 !\Author: WARNING !\Ref: ANTONOV, IVAN O., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A119.28(2015) !\Comment: WARNING 
!DONG 0217!PLOG /                           +9.87000000E-004 +5.50000000E+038 -9.21000000E+000 +3.56500000E+003 /
!DONG 0217!PLOG /                           +9.87000000E-004 +1.86000000E-040 +1.56000000E+001 -1.04000000E+004 /
!DONG 0217!PLOG /                           +9.87000000E-003 +8.50000000E+062 -1.66700000E+001 +1.26000000E+004 /
!DONG 0217!PLOG /                           +9.87000000E-003 +8.55000000E+025 -4.90000000E+000 +8.77900000E+002 /
!DONG 0217!PLOG /                           +9.87000000E-002 +9.65000000E+071 -1.90200000E+001 +1.89400000E+004 /
!DONG 0217!PLOG /                           +9.87000000E-002 +7.75000000E+022 -3.72000000E+000 +5.66500000E+002 /
!DONG 0217!PLOG /                           +9.87000000E-001 +7.65000000E+025 -4.36000000E+000 +3.21500000E+003 /
!DONG 0217!PLOG /                           +9.87000000E-001 +1.49000000E+026 -5.01000000E+000 +8.81100000E+002 /
!DONG 0217!PLOG /                           +9.87000000E+000 +4.12000000E+024 -4.41000000E+000 +7.22000000E+002 /
!DONG 0217!PLOG /                           +9.87000000E+000 +2.29000000E+020 -2.50000000E+000 +2.16000000E+003 /
!DONG 0217!PLOG /                           +9.87000000E+001 +1.86000000E+018 -2.03000000E+000 -4.00000000E-001 /
!DONG 0217!PLOG /                           +9.87000000E+001 +4.92000000E+020 -2.39000000E+000 +5.54300000E+003 /

C5H10-1+OH<=>C5H10OH12                          +2.872E+48	-10.23	23772 !\Author: SD !\Ref: ZADOR PHYS. CHEM. CHEM. PHYS., 2009, 11, 11040-1053 !\Comment: WARNING 
PLOG/	0.0013	4.607E+78	-20.7	32402	/
PLOG/	0.01	5.474E+77	-20.0	33874	/
PLOG/	0.013	2.123E+76	-19.58	32874	/
PLOG/	0.025	7.353E+73	-18.79	31361	/
PLOG/	0.10	2.069E+68	-17.01	27909	/
PLOG/	0.1315	1.445E+67	-16.64	27162	/
PLOG/	1.00	3.893E+59	-14.17	23079	/
PLOG/	10.0	1.509E+54	-12.23	22976	/
PLOG/	100.0	2.872E+48	-10.23	23772	/
DUP					
C5H10-1+OH<=>C5H10OH12                          +4.589E+32	-6.31	6088 !\Author: SD !\Ref: ZADOR PHYS. CHEM. CHEM. PHYS., 2009, 11, 11040-1053 !\Comment: WARNING 
PLOG/	0.0013	1.283E+60	-15.84	11594	/
PLOG/	0.01	1.454E+60	-15.51	12898	/
PLOG/	0.013	5.573E+59	-15.34	12913	/
PLOG/	0.025	5.302E+58	-14.93	12936	/
PLOG/	0.10	2.701E+56	-14.04	12945	/
PLOG/	0.1315	7.967E+55	-13.85	12887	/
PLOG/	1.00	3.098E+50	-12.04	11493	/
PLOG/	10.0	1.283E+42	-9.35	8921	/
PLOG/	100.0	4.589E+32	-6.31	6088	/
DUP					

C5H10-1+OH<=>C5H10OH21                          +9.575E+47	-10.23	23772 !\Author: SD !\Ref: ZADOR PHYS. CHEM. CHEM. PHYS., 2009, 11, 11040-1053 !\Comment: WARNING 
PLOG/	0.0013	1.536E+78	-20.7	32402	/
PLOG/	0.01	1.825E+77	-20.0	33874	/
PLOG/	0.013	7.076E+75	-19.58	32874	/
PLOG/	0.025	2.451E+73	-18.79	31361	/
PLOG/	0.10	6.895E+67	-17.01	27909	/
PLOG/	0.1315	4.818E+66	-16.64	27162	/
PLOG/	1.00	1.298E+59	-14.17	23079	/
PLOG/	10.0	5.028E+53	-12.23	22976	/
PLOG/	100.0	9.575E+47	-10.23	23772	/
DUP					
C5H10-1+OH<=>C5H10OH21                          +1.530E+32	-6.31	6088 !\Author: SD !\Ref: ZADOR PHYS. CHEM. CHEM. PHYS., 2009, 11, 11040-1053 !\Comment: WARNING 
PLOG/	0.0013	4.276E+59	-15.84	11594	/
PLOG/	0.01	4.848E+59	-15.51	12898	/
PLOG/	0.013	1.858E+59	-15.34	12913	/
PLOG/	0.025	1.767E+58	-14.93	12936	/
PLOG/	0.10	9.003E+55	-14.04	12945	/
PLOG/	0.1315	2.656E+55	-13.85	12887	/
PLOG/	1.00	1.033E+50	-12.04	11493	/
PLOG/	10.0	4.276E+41	-9.35	8921	/
PLOG/	100.0	1.530E+32	-6.31	6088	/
DUP


C5H10-2+OH<=>C5H10OH23                            +1.86000000E+018 -2.03000000E+000 -4.00000000E-001 !\Author: WARNING !\Ref: ANTONOV, IVAN O., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A119.28(2015) !\Comment: WARNING 
PLOG /                           +9.87000000E-004 +5.50000000E+038 -9.21000000E+000 +3.56500000E+003 /
PLOG /                           +9.87000000E-004 +1.86000000E-040 +1.56000000E+001 -1.04000000E+004 /
PLOG /                           +9.87000000E-003 +8.50000000E+062 -1.66700000E+001 +1.26000000E+004 /
PLOG /                           +9.87000000E-003 +8.55000000E+025 -4.90000000E+000 +8.77900000E+002 /
PLOG /                           +9.87000000E-002 +9.65000000E+071 -1.90200000E+001 +1.89400000E+004 /
PLOG /                           +9.87000000E-002 +7.75000000E+022 -3.72000000E+000 +5.66500000E+002 /
PLOG /                           +9.87000000E-001 +7.65000000E+025 -4.36000000E+000 +3.21500000E+003 /
PLOG /                           +9.87000000E-001 +1.49000000E+026 -5.01000000E+000 +8.81100000E+002 /
PLOG /                           +9.87000000E+000 +4.12000000E+024 -4.41000000E+000 +7.22000000E+002 /
PLOG /                           +9.87000000E+000 +2.29000000E+020 -2.50000000E+000 +2.16000000E+003 /
PLOG /                           +9.87000000E+001 +1.86000000E+018 -2.03000000E+000 -4.00000000E-001 /
PLOG /                           +9.87000000E+001 +4.92000000E+020 -2.39000000E+000 +5.54300000E+003 /
C5H10-2+OH<=>C5H10OH32                            +1.86000000E+018 -2.03000000E+000 -4.00000000E-001 !\Author: WARNING !\Ref: ANTONOV, IVAN O., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A119.28(2015) !\Comment: WARNING 
PLOG /                           +9.87000000E-004 +5.50000000E+038 -9.21000000E+000 +3.56500000E+003 /
PLOG /                           +9.87000000E-004 +1.86000000E-040 +1.56000000E+001 -1.04000000E+004 /
PLOG /                           +9.87000000E-003 +8.50000000E+062 -1.66700000E+001 +1.26000000E+004 /
PLOG /                           +9.87000000E-003 +8.55000000E+025 -4.90000000E+000 +8.77900000E+002 /
PLOG /                           +9.87000000E-002 +9.65000000E+071 -1.90200000E+001 +1.89400000E+004 /
PLOG /                           +9.87000000E-002 +7.75000000E+022 -3.72000000E+000 +5.66500000E+002 /
PLOG /                           +9.87000000E-001 +7.65000000E+025 -4.36000000E+000 +3.21500000E+003 /
PLOG /                           +9.87000000E-001 +1.49000000E+026 -5.01000000E+000 +8.81100000E+002 /
PLOG /                           +9.87000000E+000 +4.12000000E+024 -4.41000000E+000 +7.22000000E+002 /
PLOG /                           +9.87000000E+000 +2.29000000E+020 -2.50000000E+000 +2.16000000E+003 /
PLOG /                           +9.87000000E+001 +1.86000000E+018 -2.03000000E+000 -4.00000000E-001 /
PLOG /                           +9.87000000E+001 +4.92000000E+020 -2.39000000E+000 +5.54300000E+003 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 1,3-PENTADIENE+H<=>WELLS
!___________________________________________________________________________________________________________ 
C5H92-4<=>C5H81-3+H                               +2.77053100E+023 -2.43958449E+000 +5.39457045E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.09460972E+067 -1.66286436E+001 +6.61934334E+004 /
PLOG /                           +1.00000000E-001 +2.15686380E+065 -1.56201849E+001 +6.85896064E+004 /
PLOG /                           +1.00000000E+000 +4.21936754E+056 -1.26473481E+001 +6.72519920E+004 /
PLOG /                           +1.00000000E+001 +2.04084159E+040 -7.56210900E+000 +6.12364986E+004 /
PLOG /                           +1.00000000E+002 +2.77053100E+023 -2.43958449E+000 +5.39457045E+004 /
C5H92-5<=>C5H81-3+H                               +1.99496840E+017 -1.16189802E+000 +3.82877291E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +3.56070799E+016 -1.75472860E+000 +3.36569686E+004 /
PLOG /                           +1.00000000E+000 +1.39770375E+029 -5.23321016E+000 +4.01650056E+004 /
PLOG /                           +1.00000000E+001 +1.14578834E+030 -5.12686718E+000 +4.31331274E+004 /
PLOG /                           +1.00000000E+002 +1.99496840E+017 -1.16189802E+000 +3.82877291E+004 /
C5H81-3+H=C5H91-1                                 +2.14000000E+022 -2.73000000E+000 +2.08700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.91000000E+008 +0.00000000E+000 +4.86000000E+003 /
PLOG /                           +1.00000000E-001 +5.10000000E-010 +6.16000000E+000 +1.58400000E+002 /
PLOG /                           +1.00000000E+000 +5.56000000E-004 +4.56000000E+000 +3.23900000E+003 /
PLOG /                           +1.00000000E+001 +3.44000000E+026 -4.50000000E+000 +1.73900000E+004 /
PLOG /                           +1.00000000E+001 +6.86000000E-009 +6.20000000E+000 +3.17700000E+003 /
PLOG /                           +1.00000000E+002 +2.14000000E+022 -2.73000000E+000 +2.08700000E+004 /
PLOG /                           +1.00000000E+002 +7.76000000E-004 +4.34000000E+000 +5.13900000E+003 /
C5H91-4<=>C5H81-3+H                               +2.28419787E+020 -2.21376206E+000 +3.94372469E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.21296720E+060 -1.53083205E+001 +5.04970509E+004 /
PLOG /                           +1.00000000E-001 +5.20168111E+061 -1.52053706E+001 +5.42964392E+004 /
PLOG /                           +1.00000000E+000 +2.84492457E+049 -1.11998148E+001 +5.10556578E+004 /
PLOG /                           +1.00000000E+001 +4.05349113E+031 -5.68568965E+000 +4.40375054E+004 /
PLOG /                           +1.00000000E+002 +2.28419787E+020 -2.21376206E+000 +3.94372469E+004 /
C5H91-3<=>C5H81-3+H                               +4.73701565E+025 -3.52545692E+000 +5.32702082E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.59613078E+072 -1.86176077E+001 +6.70569469E+004 /
PLOG /                           +1.00000000E-001 +3.33991068E+067 -1.66277889E+001 +6.80213855E+004 /
PLOG /                           +1.00000000E+000 +1.31455840E+055 -1.25932275E+001 +6.48530749E+004 /
PLOG /                           +1.00000000E+001 +2.64364111E+039 -7.71771892E+000 +5.90346432E+004 /
PLOG /                           +1.00000000E+002 +4.73701565E+025 -3.52545692E+000 +5.32702082E+004 /
C5H81-3+H=C5H91-5                                 +1.34000000E+048 -1.06400000E+001 +3.36800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.12000000E+026 -5.73000000E+000 +8.02900000E+003 /
PLOG /                           +1.00000000E-001 +2.03000000E+153 -4.38000000E+001 +6.68000000E+004 /
PLOG /                           +1.00000000E-001 +1.25000000E+026 -5.25000000E+000 +9.28200000E+003 /
PLOG /                           +1.00000000E+000 +1.96000000E+030 -6.23000000E+000 +1.32400000E+004 /
PLOG /                           +1.00000000E+000 +7.20000000E+153 -4.14700000E+001 +9.39500000E+004 /
PLOG /                           +1.00000000E+001 +1.50000000E+022 -3.28000000E+000 +1.52000000E+004 /
PLOG /                           +1.00000000E+001 +9.63000000E+001 -2.68000000E+000 -1.10000000E+004 /
PLOG /                           +1.00000000E+002 +1.34000000E+048 -1.06400000E+001 +3.36800000E+004 /
PLOG /                           +1.00000000E+002 +7.64000000E+004 +1.59000000E+000 +9.88500000E+003 /
C5H81-3+H=C5H92-2                                 +2.29000000E+045 -9.32000000E+000 +3.21400000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.10000000E+030 -6.69000000E+000 +8.28900000E+003 /
PLOG /                           +1.00000000E-001 +2.59000000E+061 -1.58400000E+001 +2.22500000E+004 /
PLOG /                           +1.00000000E-001 +3.90000000E+025 -4.73000000E+000 +8.47800000E+003 /
PLOG /                           +1.00000000E+000 +2.61000000E+031 -5.92000000E+000 +1.43200000E+004 /
PLOG /                           +1.00000000E+000 +1.98000000E+007 -3.90000000E-001 -5.93400000E+002 /
PLOG /                           +1.00000000E+001 +1.69000000E+016 -9.90000000E-001 +1.16500000E+004 /
PLOG /                           +1.00000000E+001 +1.03000000E-019 -2.55000000E+000 -4.27300000E+004 /
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C5H81-3+H=CH2CYC3H4CH3                            +1.53000000E+011 +0.00000000E+000 +5.03100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: 10 ATM RATE CONSTANT
C5H81-3+H=CC5H9-A                                 +6.33000000E+035 -6.47000000E+000 +2.04800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H81-3+H=CYC5H9                                  +2.35000000E+047 -1.12100000E+001 +3.36900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: C5H92-4<=>WELLS/PRODUCTS
!___________________________________________________________________________________________________________ 
C5H91-3<=>C5H92-4                                 +1.24629387E+021 -2.68105332E+000 +3.89004180E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H92-4<=>C5H92-5                                 +8.82697342E+025 -3.54847643E+000 +5.50335900E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H92-2<=>C5H92-4                                 +9.87411665E+025 -4.06236105E+000 +4.10688062E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H92-3<=>C5H92-4                                 +5.23533002E+043 -9.33463366E+000 +5.42291203E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H92-4<=>CH3CYC3H3CH3-3                          +4.52561046E+037 -7.55604573E+000 +5.93468625E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H92-4<=>C5H82-3+H                               +8.78905346E+035 -6.20170984E+000 +7.33389571E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H82-3+H<=>C4H612+CH3                            +1.04616878E+023 -2.42241542E+000 +2.08926867E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H82-3+H<=>C2H3+C3H6                             +8.67076493E+030 -4.99462082E+000 +3.90544952E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H82-3+H<=>C2H4+C3H5-A                           +1.21369396E+027 -4.07792333E+000 +3.27196852E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H82-3+H<=>C2H4+C3H5-S                           +2.00879431E+021 -1.72463929E+000 +3.02938481E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: C5H92-4<=>WELLS/PRODUCTS
!___________________________________________________________________________________________________________ 
C5H91-3<=>C5H92-5                                 +3.81990640E+016 -1.51689945E+000 +3.27142961E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H92-2<=>C5H92-5                                 +2.10714581E+018 -2.04929536E+000 +2.09598518E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H92-5<=>C2H4+C3H5-S                             +4.28641027E+025 -3.50219655E+000 +4.51856616E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H92-3<=>C5H92-5                                 +2.49499316E+034 -6.68655056E+000 +4.72149825E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H92-5=C4H61-3+CH3                                  +6.56000000E+052 -1.12800000E+001 +6.07400000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H92-5=C3H4-P+C2H5                               +2.26000000E+090 -2.23400000E+001 +8.72200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H92-5<=>CYC4H6-2-CH3                            +2.20037935E+027 -4.87803903E+000 +4.45389923E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: C5H91-4<=>WELLS/PRODUCTS
!___________________________________________________________________________________________________________ 
C5H91-3<=>C5H91-4                                 +6.86962943E+028 -4.80709049E+000 +5.37146174E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H91-4<=>C5H91-5                                 +1.12718677E+028 -5.02892624E+000 +4.15706028E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H91-4=CH2CYC3H4CH3                              +6.58000000E+005 +1.47000000E+000 +9.70900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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CH2CYC3H4CH3=CC5H9-A                              +1.18000000E+011 +3.70000000E-001 +6.07700000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H91-4=CC5H9-A                                   +1.22000000E+039 -9.37000000E+000 +2.00700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H91-4=C3H5-A+C2H4                               +6.89000000E+034 -6.38000000E+000 +5.41100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H91-4=C4H61-3+CH3                                  +4.69000000E+026 -3.87000000E+000 +4.18400000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H91-4<=>C2H3+C3H6                               +7.42302529E+024 -3.29557835E+000 +4.44900626E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.64508392E+063 -1.60316372E+001 +5.37906232E+004 /
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C5H91-4<=>C5H8D14+H                               +1.19882914E+024 -3.07979384E+000 +4.43961154E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.61175091E+062 -1.58968073E+001 +5.35610832E+004 /
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C5H91-4<=>CYC4H6-3-CH3                            +1.16450960E+025 -4.22884053E+000 +3.99545064E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H91-1<=>C5H91-4                                 +1.37460583E+019 -2.32776659E+000 +1.73360667E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E+001 +8.53005196E+021 -3.39988284E+000 +1.70386768E+004 /
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C5H91-2<=>C5H91-4                                 +4.40953622E+030 -5.67573313E+000 +4.49008994E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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CYC4H6-3-CH3<=>C2H2+NC3H7                         +5.87561682E+045 -9.20199243E+000 +6.97338684E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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CYC4H6-3-CH3<=>C2H3+C3H6                          +2.84425076E+028 -4.04098957E+000 +5.30195479E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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CYC4H6-3-CH3<=>C2H4+C3H5-A                        +4.65195732E+017 -1.44398431E+000 +4.25619684E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.89402945E+064 -1.66052845E+001 +4.77726909E+004 /
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PLOG /                           +1.00000000E+002 +4.65195732E+017 -1.44398431E+000 +4.25619684E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: C5H91-3<=>WELLS/PRODUCTS
!___________________________________________________________________________________________________________ 
C5H91-3<=>C5H91-5                                 +4.33082752E+036 -7.41856253E+000 +5.90543599E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H91-3=CC5H9-A                                   +6.19000000E+059 -1.39000000E+001 +7.44600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H91-3<=>C4H61-3+CH3                                +3.32412168E+027 -3.80442204E+000 +4.74978973E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H91-1<=>C5H91-3                                 +1.87760879E+029 -5.29783497E+000 +3.80381005E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H91-2<=>C5H91-3                                 +1.02076939E+051 -1.17012453E+001 +5.65168309E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H91-3<=>C5H92-2                                 +1.17766604E+037 -7.46083657E+000 +5.88699751E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +3.02466632E+057 -1.43812980E+001 +5.55631614E+004 /
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C5H91-3<=>C5H92-3                                 +1.66000000E+007 +1.73400000E+000 +5.74466370E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H91-3<=>CYC3H4C2H5-2                            +3.50616367E+039 -8.09737262E+000 +6.31210631E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +3.34489053E+062 -1.62928504E+001 +6.52938137E+004 /
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C5H91-3<=>C5H81-2+H                               +5.14928925E+044 -9.15282285E+000 +7.61198704E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.88107608E+058 -1.54038556E+001 +7.19165469E+004 /
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C5H81-2+H<=>C4H612+CH3                            +3.42226821E+030 -4.84285851E+000 +3.53508357E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.99020194E+000 +3.25832969E+000 +7.84545836E+003 /
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C5H81-2+H<=>C2H2+NC3H7                            +2.21344695E+025 -3.09859816E+000 +3.25495009E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.44150170E-013 +7.45195326E+000 +2.66414227E+003 /
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C5H81-2+H<=>C2H3+C3H6                             +1.84117480E+021 -2.05716979E+000 +2.86513084E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H81-2+H<=>C2H4+C3H5-A                           +5.14088687E+034 -6.14513552E+000 +2.43949066E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +7.96753381E+018 -2.05507978E+000 +4.40769635E+003 /
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C5H81-2+H<=>C2H4+C3H5-S                           +5.78365114E+026 -3.49554481E+000 +2.61277794E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.38956116E+021 -2.42458143E+000 +1.14041219E+004 /
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C5H81-2+H<=>C2H5+C3H4-A                           +1.73279375E+024 -2.61288047E+000 +1.97241334E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.63386469E+013 +2.30270204E-001 +5.83850709E+003 /
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!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: C5H92-2<=>WELLS/PRODUCTS
!___________________________________________________________________________________________________________ 
C5H92-2<=>C3H4-P+C2H5                             +4.20546789E+034 -6.08876203E+000 +4.33860882E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H92-2=C4H61-3+CH3                                  +5.82000000E+052 -1.14400000E+001 +6.08600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H92-2<=>C5H92-3                                 +5.37931283E+058 -1.37993714E+001 +6.71330803E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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CYC3H5CHCH3=C5H92-2                               +2.23000000E-004 +4.68000000E+000 +1.81300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H92-2<=>C5H8-2+H                                +7.89932241E+034 -6.43678073E+000 +4.70416857E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H92-2<=>C5H81-2+H                               +1.03384867E+038 -7.25071552E+000 +5.17926610E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H8-2+H<=>C4H612+CH3                             +2.98783564E+024 -2.88926175E+000 +2.17554434E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C5H8-2+H<=>C2H4+C3H5-S                            +7.33534311E+026 -3.73915899E+000 +2.78143067E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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PLOG /                           +1.00000000E-001 +3.39898094E+024 -3.56898803E+000 +1.41061808E+004 /
PLOG /                           +1.00000000E+000 +3.49893694E+030 -5.25667321E+000 +1.86410726E+004 /
PLOG /                           +1.00000000E+001 +5.37952683E+037 -7.14458246E+000 +2.68923928E+004 /
PLOG /                           +1.00000000E+002 +7.33534311E+026 -3.73915899E+000 +2.78143067E+004 /
C5H8-2+H<=>C3H4-P+C2H5                            +8.94937459E+023 -2.71116004E+000 +2.04249926E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +9.53197972E+017 -1.27354758E+000 +1.05309309E+004 /
PLOG /                           +1.00000000E-001 +3.71725167E+018 -1.44132414E+000 +1.09375123E+004 /
PLOG /                           +1.00000000E+000 +1.30843951E+022 -2.44308920E+000 +1.34754512E+004 /
PLOG /                           +1.00000000E+001 +1.53704573E+028 -4.10078632E+000 +1.89894657E+004 /
PLOG /                           +1.00000000E+002 +8.94937459E+023 -2.71116004E+000 +2.04249926E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: C5H92-3<=>WELLS/PRODUCTS
!___________________________________________________________________________________________________________ 
C5H92-3<=>C4H6-1+CH3                              +8.01679703E+032 -5.58241467E+000 +4.45694446E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.61006457E+064 -1.62724386E+001 +5.08381347E+004 /
PLOG /                           +1.00000000E-001 +3.26092624E+062 -1.52481570E+001 +5.23943464E+004 /
PLOG /                           +1.00000000E+000 +7.04013133E+056 -1.31840943E+001 +5.23359897E+004 /
PLOG /                           +1.00000000E+001 +2.10530118E+046 -9.75714973E+000 +4.95558954E+004 /
PLOG /                           +1.00000000E+002 +8.01679703E+032 -5.58241467E+000 +4.45694446E+004 /
C5H92-3<=>C4H612+CH3                              +2.99021471E+031 -5.26100653E+000 +4.26640835E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.15309622E+064 -1.61286375E+001 +4.99223466E+004 /
PLOG /                           +1.00000000E-001 +2.24828574E+061 -1.49341150E+001 +5.10828710E+004 /
PLOG /                           +1.00000000E+000 +1.25134687E+055 -1.27235072E+001 +5.05924385E+004 /
PLOG /                           +1.00000000E+001 +2.74108171E+044 -9.28210333E+000 +4.75686528E+004 /
PLOG /                           +1.00000000E+002 +2.99021471E+031 -5.26100653E+000 +4.26640835E+004 /
C5H92-3<=>C5H82-3+H                               +2.09446779E+035 -6.49234317E+000 +4.94957721E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.37497046E+063 -1.64500702E+001 +5.30086226E+004 /
PLOG /                           +1.00000000E-001 +2.83774850E+063 -1.59088209E+001 +5.54969489E+004 /
PLOG /                           +1.00000000E+000 +3.26196260E+059 -1.42859713E+001 +5.65632583E+004 /
PLOG /                           +1.00000000E+001 +5.06443726E+049 -1.10033856E+001 +5.45681881E+004 /
PLOG /                           +1.00000000E+002 +2.09446779E+035 -6.49234317E+000 +4.94957721E+004 /
C5H92-3<=>C5H8-2+H                                +1.49527101E+034 -6.04852703E+000 +4.72801641E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.16471779E+064 -1.64389403E+001 +5.21428610E+004 /
PLOG /                           +1.00000000E-001 +1.88955773E+063 -1.56691614E+001 +5.42179169E+004 /
PLOG /                           +1.00000000E+000 +3.18345613E+058 -1.38301626E+001 +5.47679180E+004 /
PLOG /                           +1.00000000E+001 +1.81230853E+048 -1.04483129E+001 +5.23745827E+004 /
PLOG /                           +1.00000000E+002 +1.49527101E+034 -6.04852703E+000 +4.72801641E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: C5H91-5<=>WELLS/PRODUCTS
!___________________________________________________________________________________________________________ 
C5H91-1<=>C5H91-5                                 +7.53340189E+021 -3.43280987E+000 +1.40127096E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E+001 +4.24598760E+029 -5.97319180E+000 +1.59584584E+004 /
PLOG /                           +1.00000000E+002 +7.53340189E+021 -3.43280987E+000 +1.40127096E+004 /
C5H91-2<=>C5H91-5                                 +1.10314038E+027 -4.88720181E+000 +2.64152048E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +3.41923559E+041 -1.03668078E+001 +2.56184544E+004 /
PLOG /                           +1.00000000E+000 +1.91120036E+043 -1.04285960E+001 +2.90697588E+004 /
PLOG /                           +1.00000000E+001 +1.49983751E+037 -8.19252941E+000 +2.90472982E+004 /
PLOG /                           +1.00000000E+002 +1.10314038E+027 -4.88720181E+000 +2.64152048E+004 /

!DONG 0917!C5H91-5<=>CYC5H9                                  +3.89570946E+024 -4.23757672E+000 +2.33625098E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0917!PLOG /                           +1.00000000E-001 +7.21478455E+052 -1.34496656E+001 +3.10066526E+004 /
!DONG 0917!PLOG /                           +1.00000000E+000 +9.33331147E+044 -1.07492785E+001 +2.96832353E+004 /
!DONG 0917!PLOG /                           +1.00000000E+001 +4.34495599E+035 -7.69994296E+000 +2.72704426E+004 /
!DONG 0917!PLOG /                           +1.00000000E+002 +3.89570946E+024 -4.23757672E+000 +2.33625098E+004 /

C5H91-5=CYC5H9                                 1.025E+07 1.096 15141.647
PLOG /1.000E-02    6.79E+46      -11.99    25860.0/
PLOG /1.000E-02    1.20E-09        5.17    7543.0/                             ! fit btw. 300 and 1000 K with MAE of 0.5%, 1.3%
PLOG /1.000E-01    4.57E+35       -8.22    23230.0/
PLOG /1.000E-01    4.31E+21       -7.24    7376.0/                             ! fit btw. 300 and 1100 K with MAE of 2.8%, 5.2%
PLOG /1.000E+00    5.96E+74      -20.02    41440.0/
PLOG /1.000E+00    2.20E+20       -3.36    18340.0/                            ! fit btw. 300 and 1300 K with MAE of 1.2%, 2.5%
PLOG /1.000E+01    4.34E+63      -16.25    40030.0/
PLOG /1.000E+01    2.18E+16       -2.00    17490.0/                            ! fit btw. 300 and 1500 K with MAE of 1.4%, 3.0%
PLOG /1.000E+02    1.33E+59      -14.54    41840.0/
PLOG /1.000E+02    1.92E+13       -0.96    16840.0/                            ! fit btw. 300 and 1800 K with MAE of 1.6%, 3.4%

C5H91-5<=>C2H4+C3H5-A                             +5.84471112E+027 -4.35938015E+000 +3.00721367E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +2.63871242E+046 -1.09030189E+001 +3.23177845E+004 /
PLOG /                           +1.00000000E+000 +4.54113375E+045 -1.02757702E+001 +3.43068904E+004 /
PLOG /                           +1.00000000E+001 +1.06135578E+038 -7.64713598E+000 +3.31758902E+004 /
PLOG /                           +1.00000000E+002 +5.84471112E+027 -4.35938015E+000 +3.00721367E+004 /
C5H91-5<=>C5H8D14+H                               +3.94072243E+039 -8.02164489E+000 +4.93610644E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +5.80673903E+035 -8.17252072E+000 +4.31758648E+004 /
PLOG /                           +1.00000000E+000 +2.67791685E+027 -5.40181142E+000 +3.82575804E+004 /
PLOG /                           +1.00000000E+001 +6.33445181E+042 -9.47367333E+000 +4.75660024E+004 /
PLOG /                           +1.00000000E+002 +3.94072243E+039 -8.02164489E+000 +4.93610644E+004 /
CYC5H9<=>C5H8D14+H                                +1.45764142E+046 -9.22867737E+000 +7.58206436E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.89469902E+095 -2.61307033E+001 +8.37379338E+004 /
PLOG /                           +1.00000000E-001 +8.94369271E+074 -1.93539180E+001 +7.64995798E+004 /
PLOG /                           +1.00000000E+000 +3.04582530E+068 -1.68661363E+001 +7.63313031E+004 /
PLOG /                           +1.00000000E+001 +1.23754026E+062 -1.43845353E+001 +7.81920851E+004 /
PLOG /                           +1.00000000E+002 +1.45764142E+046 -9.22867737E+000 +7.58206436E+004 /
CYC5H9<=>C4H61-3+CH3                                 +6.24768329E+048 -9.94348113E+000 +8.41814422E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.07771558E+096 -2.61164085E+001 +8.01739169E+004 /
PLOG /                           +1.00000000E-001 +7.12900639E+085 -2.23755301E+001 +7.96743824E+004 /
PLOG /                           +1.00000000E+000 +1.41743354E+079 -1.98627443E+001 +8.26811470E+004 /
PLOG /                           +1.00000000E+001 +2.02032009E+065 -1.52534638E+001 +8.38232955E+004 /
PLOG /                           +1.00000000E+002 +6.24768329E+048 -9.94348113E+000 +8.41814422E+004 /
CYC5H9<=>C2H2+NC3H7                               +3.91630435E+052 -1.11004301E+001 +8.53853581E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.19367652E+077 -2.10385029E+001 +8.23378867E+004 /
PLOG /                           +1.00000000E-001 +2.57304019E+064 -1.65042574E+001 +7.65078020E+004 /
PLOG /                           +1.00000000E+000 +6.67148337E+067 -1.67979248E+001 +8.00851619E+004 /
PLOG /                           +1.00000000E+001 +7.82688030E+063 -1.49325807E+001 +8.36652755E+004 /
PLOG /                           +1.00000000E+002 +3.91630435E+052 -1.11004301E+001 +8.53853581E+004 /
CYC5H9<=>C2H3+C3H6                                +1.23322008E+048 -9.73468460E+000 +8.71736383E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.94039920E+098 -2.69776660E+001 +8.50510601E+004 /
PLOG /                           +1.00000000E-001 +2.09261575E+087 -2.29567516E+001 +8.38296194E+004 /
PLOG /                           +1.00000000E+000 +8.22288252E+078 -1.98934644E+001 +8.54501513E+004 /
PLOG /                           +1.00000000E+001 +1.68548038E+062 -1.44228421E+001 +8.47295605E+004 /
PLOG /                           +1.00000000E+002 +1.23322008E+048 -9.73468460E+000 +8.71736383E+004 /
C5H91-1=CYC5H9                                    +1.45000000E+055 -1.35000000E+001 +3.89900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.57000000E+011 -9.60000000E-001 +9.33100000E+003 /
PLOG /                           +1.00000000E-001 +9.76000000E+020 -3.85000000E+000 +1.34100000E+004 /
PLOG /                           +1.00000000E+000 +3.34000000E+052 -1.33000000E+001 +2.87900000E+004 /
PLOG /                           +1.00000000E+000 +5.89000000E+027 -6.36000000E+000 +1.54400000E+004 /
PLOG /                           +1.00000000E+001 +5.91000000E+054 -1.36900000E+001 +3.35700000E+004 /
PLOG /                           +1.00000000E+001 +1.17000000E+021 -4.25000000E+000 +1.47700000E+004 /
PLOG /                           +1.00000000E+002 +1.45000000E+055 -1.35000000E+001 +3.89900000E+004 /
PLOG /                           +1.00000000E+002 +2.70000000E+013 -1.85000000E+000 +1.38400000E+004 /
C5H91-4=CYC5H9                                    +3.59000000E+039 -1.47400000E+001 +8.92500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.45000000E+067 -1.88500000E+001 +4.38000000E+004 /
PLOG /                           +1.00000000E-002 +1.79000000E+041 -1.69000000E+001 +4.24100000E+003 /
PLOG /                           +1.00000000E-001 +1.11000000E+075 -2.05200000E+001 +5.18200000E+004 /
PLOG /                           +1.00000000E-001 +2.21000000E+153 -4.70400000E+001 +6.73400000E+004 /
PLOG /                           +1.00000000E+000 +9.70000000E+043 -1.09700000E+001 +4.08400000E+004 /
PLOG /                           +1.00000000E+000 +8.29000000E+153 -4.02700000E+001 +1.56200000E+005 /
PLOG /                           +1.00000000E+001 +4.39000000E-117 +3.52700000E+001 -3.26000000E+004 /
PLOG /                           +1.00000000E+001 +2.47000000E+044 -1.04400000E+001 +4.88600000E+004 /
PLOG /                           +1.00000000E+002 +3.59000000E+039 -1.47400000E+001 +8.92500000E+003 /
PLOG /                           +1.00000000E+002 +8.73000000E+039 -8.73000000E+000 +5.41200000E+004 /
CYC5H9=C3H5-A+C2H4                                +4.82000000E+039 -7.18000000E+000 +5.99600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.08000000E+074 -1.89600000E+001 +6.03600000E+004 /
PLOG /                           +1.00000000E-002 +2.28000000E+060 -1.52700000E+001 +5.13800000E+004 /
PLOG /                           +1.00000000E-001 +4.17000000E+070 -1.73400000E+001 +6.19300000E+004 /
PLOG /                           +1.00000000E-001 +1.25000000E+054 -1.31000000E+001 +5.13000000E+004 /
PLOG /                           +1.00000000E+000 +1.07000000E+067 -1.58500000E+001 +6.45300000E+004 /
PLOG /                           +1.00000000E+000 +1.20000000E+043 -9.44000000E+000 +4.99600000E+004 /
PLOG /                           +1.00000000E+001 +3.24000000E+060 -1.35200000E+001 +6.64100000E+004 /
PLOG /                           +1.00000000E+001 +6.55000000E+029 -5.15000000E+000 +4.77100000E+004 /
PLOG /                           +1.00000000E+002 +4.82000000E+039 -7.18000000E+000 +5.99600000E+004 /
PLOG /                           +1.00000000E+002 +4.09000000E+025 -4.13000000E+000 +4.67900000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: C5H91-2<=>WELLS/PRODUCTS
!___________________________________________________________________________________________________________ 
C5H91-1<=>C5H91-2                                 +3.62576640E+023 -4.04094175E+000 +3.06753964E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E+001 +9.81909844E+035 -8.11036406E+000 +3.14626989E+004 /
PLOG /                           +1.00000000E+002 +3.62576640E+023 -4.04094175E+000 +3.06753964E+004 /
C5H91-2<=>C2H5+C3H4-A                             +2.37700145E+033 -5.74557924E+000 +4.14378295E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.62398403E+046 -1.12433442E+001 +3.91409563E+004 /
PLOG /                           +1.00000000E-001 +2.53368666E+055 -1.32967072E+001 +4.51557421E+004 /
PLOG /                           +1.00000000E+000 +2.77177534E+053 -1.22544387E+001 +4.70019055E+004 /
PLOG /                           +1.00000000E+001 +3.09955291E+045 -9.55194690E+000 +4.56583099E+004 /
PLOG /                           +1.00000000E+002 +2.37700145E+033 -5.74557924E+000 +4.14378295E+004 /
C5H91-2<=>C5H81-2+H                               +1.78826858E+038 -7.38863239E+000 +5.09155447E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.70060422E+041 -1.03017881E+001 +4.30107125E+004 /
PLOG /                           +1.00000000E-001 +2.20202658E+055 -1.38848127E+001 +5.04635792E+004 /
PLOG /                           +1.00000000E+000 +1.28713233E+057 -1.38050400E+001 +5.42508604E+004 /
PLOG /                           +1.00000000E+001 +1.53372319E+051 -1.15543061E+001 +5.46878085E+004 /
PLOG /                           +1.00000000E+002 +1.78826858E+038 -7.38863239E+000 +5.09155447E+004 /
C5H91-2<=>C5H8-1+H                                +1.37755125E+039 -7.51230513E+000 +5.16681556E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.22319768E+041 -1.01613665E+001 +4.32837380E+004 /
PLOG /                           +1.00000000E-001 +4.08929126E+055 -1.38614523E+001 +5.07930845E+004 /
PLOG /                           +1.00000000E+000 +5.22612749E+057 -1.38706936E+001 +5.47325136E+004 /
PLOG /                           +1.00000000E+001 +1.12301182E+052 -1.16826467E+001 +5.53522609E+004 /
PLOG /                           +1.00000000E+002 +1.37755125E+039 -7.51230513E+000 +5.16681556E+004 /
C5H8-1+H<=>C5H81-2+H                              +2.16494605E+020 -1.54593388E+000 +2.15421792E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.98864963E+006 +2.11142091E+000 +7.56771765E+003 /
PLOG /                           +1.00000000E-001 +5.00109490E+007 +1.82576056E+000 +8.22663575E+003 /
PLOG /                           +1.00000000E+000 +2.96737108E+012 +4.70051060E-001 +1.14914724E+004 /
PLOG /                           +1.00000000E+001 +5.94932024E+020 -1.84181544E+000 +1.81009183E+004 /
PLOG /                           +1.00000000E+002 +2.16494605E+020 -1.54593388E+000 +2.15421792E+004 /
C5H8-1+H<=>C5H81-3+H                              +3.08293422E+026 -3.62942841E+000 +2.48853168E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.88113461E+019 -2.00234041E+000 +9.86743332E+003 /
PLOG /                           +1.00000000E-001 +2.70101850E+021 -2.61738256E+000 +1.12965527E+004 /
PLOG /                           +1.00000000E+000 +7.23459320E+028 -4.70934248E+000 +1.67326629E+004 /
PLOG /                           +1.00000000E+001 +3.53574602E+034 -6.19549523E+000 +2.34233249E+004 /
PLOG /                           +1.00000000E+002 +3.08293422E+026 -3.62942841E+000 +2.48853168E+004 /
C5H8-1+H<=>C5H8D14+H                              +1.16346769E+026 -3.35661563E+000 +2.51756168E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.15737414E+017 -1.37378041E+000 +1.02498318E+004 /
PLOG /                           +1.00000000E-001 +4.25099132E+019 -1.91968114E+000 +1.15282336E+004 /
PLOG /                           +1.00000000E+000 +2.82858233E+026 -3.84310729E+000 +1.64896335E+004 /
PLOG /                           +1.00000000E+001 +2.68262061E+032 -5.42513841E+000 +2.30586719E+004 /
PLOG /                           +1.00000000E+002 +1.16346769E+026 -3.35661563E+000 +2.51756168E+004 /
C5H8-1+H<=>C4H61-3+CH3                               +7.80765932E+033 -5.64739294E+000 +2.89991808E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.95758124E+026 -4.00519031E+000 +1.11509878E+004 /
PLOG /                           +1.00000000E-001 +4.80414542E+028 -4.68730601E+000 +1.27169181E+004 /
PLOG /                           +1.00000000E+000 +3.53100235E+036 -6.89712567E+000 +1.85738648E+004 /
PLOG /                           +1.00000000E+001 +9.01321184E+041 -8.27706572E+000 +2.56937667E+004 /
PLOG /                           +1.00000000E+002 +7.80765932E+033 -5.64739294E+000 +2.89991808E+004 /
C5H8-1+H<=>C2H2+NC3H7                             +4.39372716E+021 -1.84341608E+000 +1.99999697E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.34810798E+015 -9.52392648E-002 +1.33433168E+004 /
PLOG /                           +1.00000000E-001 +1.59487900E+015 -1.15944019E-001 +1.33940288E+004 /
PLOG /                           +1.00000000E+000 +5.01377327E+015 -2.56346007E-001 +1.37533358E+004 /
PLOG /                           +1.00000000E+001 +2.49227012E+018 -1.01112932E+000 +1.58324709E+004 /
PLOG /                           +1.00000000E+002 +4.39372716E+021 -1.84341608E+000 +1.99999697E+004 /
C5H8-1+H<=>C2H3+C3H6                              +1.02474968E+028 -3.93157238E+000 +2.62283955E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.73100835E+020 -2.29050440E+000 +1.12308609E+004 /
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C5H8-1+H<=>C2H4+C3H5-A                            +7.14035189E+034 -6.03597697E+000 +2.24742068E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.04525310E+019 -2.10306550E+000 +5.20930584E+003 /
PLOG /                           +1.00000000E-001 +6.98777345E+021 -2.65979148E+000 +6.41064017E+003 /
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C5H8-1+H<=>C2H5+C3H4-A                            +1.03889091E+025 -2.68905221E+000 +1.96147289E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.85603740E+013 +2.49035308E-001 +5.72435147E+003 /
PLOG /                           +1.00000000E-001 +2.47216967E+015 -2.37844301E-001 +6.85001911E+003 /
PLOG /                           +1.00000000E+000 +7.08021235E+021 -2.06582735E+000 +1.13777477E+004 /
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PLOG /                           +1.00000000E+002 +1.03889091E+025 -2.68905221E+000 +1.96147289E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: C5H91-1<=>WELLS/PRODUCTS
!___________________________________________________________________________________________________________ 
C5H91-1=C2H4+C3H5-S                               +3.00000000E+017 -1.91000000E+000 +4.84909000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.73000000E+005 +0.00000000E+000 +2.63300000E+004 /
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PLOG /                           +1.00000000E+002 +3.00000000E+017 -1.91000000E+000 +4.84909000E+004 /
C5H91-1<=>C2H2+NC3H7                              +3.19103803E+033 -5.83215547E+000 +4.12650934E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E+001 +9.32150307E+031 -5.88589343E+000 +3.78270509E+004 /
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C5H91-1<=>C5H8-1+H                                +3.75401601E+033 -6.16256088E+000 +4.50075357E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E+001 +2.19546430E+030 -5.78326781E+000 +4.05685450E+004 /
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C5H91-1=CC5H9-A                                   +1.64000000E+033 -6.54000000E+000 +2.83100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.88000000E-045 +1.67800000E+001 -5.59100000E+003 /
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PLOG /                           +1.00000000E+002 +1.17000000E+021 -4.09000000E+000 +1.58300000E+004 /
C5H91-1=C4H61-3+CH3                                  +2.42000000E+022 -2.61000000E+000 +3.82700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.47000000E+008 +0.00000000E+000 +1.81000000E+004 /
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PLOG /                           +1.00000000E+002 +9.16000000E-010 +6.17000000E+000 +1.96700000E+004 /
C5H91-1=CH2CYC3H4CH3                              +1.14000000E+009 +0.00000000E+000 +1.37700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: CH3CYC3H3CH3-3<=>WELLS/PRODUCTS
!___________________________________________________________________________________________________________ 
CH3CYC3H3CH3<=>CH3CYC3H3CH3-3                     +3.88383290E+007 +1.65325499E+000 +4.29863913E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH3CYC3H3CH3-3<=>C5H81-3+H                        +7.04180482E-003 +4.67928867E+000 +2.30220374E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E+001 +2.33765667E-002 +4.20592926E+000 +1.98403402E+004 /
PLOG /                           +1.00000000E+002 +7.04180482E-003 +4.67928867E+000 +2.30220374E+004 /
CH3CYC3H3CH3-3<=>C4H61-3+CH3                         +5.62668225E-024 +1.11213663E+001 +1.89848788E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E+001 +2.67167530E-017 +8.95874443E+000 +1.76267674E+004 /
PLOG /                           +1.00000000E+002 +5.62668225E-024 +1.11213663E+001 +1.89848788E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: CYC3H5CHCH3<=>WELLS/PRODUCTS
!___________________________________________________________________________________________________________ 
CYC3H5CHCH3=C2H4+C3H5-S                           +2.64000000E+013 +0.00000000E+000 +3.62700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYC3H5CHCH3=C3H4-P+C2H5                           +1.54000000E+014 +0.00000000E+000 +3.98300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYC3H5CHCH3=C4H6-1+CH3                            +9.21000000E+012 +0.00000000E+000 +5.09200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYC3H5CHCH3=C4H61-3+CH3                              +2.51000000E+012 +0.00000000E+000 +2.74300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYC3H5CHCH3=C3H5-A+C2H4                           +1.31000000E+023 -2.45000000E+000 +5.86200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYC3H5CHCH3<=>CYC3H4C2H5-2                        +3.87000000E+004 +2.15900000E+000 +4.29337290E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYC3H5CHCH3<=>CYC3H4C2H5-1                        +2.91600000E+006 +1.81400000E+000 +4.67679610E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYC3H5CHCH3<=>CYC4H6-2-CH3                        +1.28700000E+010 +6.76000000E-001 +4.67678340E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYC3H5CHCH3<=>CYC3H5CHCH2+H                       +1.66600000E+009 +1.39100000E+000 +3.84966810E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYC3H5CHCH3<=>CYC3H4CHCH3+H                       +7.37000000E+008 +1.32300000E+000 +4.78545960E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYC3H4C2H5-1<=>C4H612+CH3                         +2.75780878E+023 -3.30489955E+000 +6.60183817E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.45750661E+054 -1.37708490E+001 +6.36236891E+004 /
PLOG /                           +1.00000000E-001 +6.63972945E+043 -1.02762712E+001 +6.13766190E+004 /
PLOG /                           +1.00000000E+000 +2.14199705E+032 -6.57662557E+000 +5.87448448E+004 /
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CYC4H6-2-CH3<=>C4H61-3+CH3                           +1.00921412E+028 -4.05980754E+000 +4.88113722E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.24659999E+068 -1.75570723E+001 +5.15740138E+004 /
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PLOG /                           +1.00000000E+002 +1.00921412E+028 -4.05980754E+000 +4.88113722E+004 /
CYC4H6-2-CH3<=>C2H2+NC3H7                         +1.96480461E+054 -1.18307638E+001 +7.62057496E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.65067854E+059 -1.56257192E+001 +5.46749419E+004 /
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PLOG /                           +1.00000000E+002 +1.96480461E+054 -1.18307638E+001 +7.62057496E+004 /
CYC4H6-2-CH3<=>C2H3+C3H6                          +9.22535276E+032 -5.48024368E+000 +5.63460601E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.40399846E+066 -1.71140996E+001 +5.29060226E+004 /
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CYC4H6-2-CH3<=>C2H4+C3H5-A                        +3.18727135E+032 -5.73823666E+000 +5.52083258E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.24220486E+070 -1.83489956E+001 +5.16456195E+004 /
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CYC4H6-2-CH3<=>C2H4+C3H5-S                        +9.39665533E+029 -4.70993288E+000 +5.62797640E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.47558259E+057 -1.49043226E+001 +5.08384527E+004 /
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CYC4H6-2-CH3<=>C3H4-P+C2H5                        +1.71199123E+046 -9.48843370E+000 +6.94982798E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.17762061E+057 -1.50410429E+001 +5.17455552E+004 /
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CYC3H5CHCH2+H<=>C4H61-3+CH3                          +1.66059638E+024 -2.55543760E+000 +2.34604458E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +9.60513078E+021 -2.54349854E+000 +6.52957844E+003 /
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CYC3H5CHCH2+H<=>C4H6-1+CH3                        +1.76845764E+025 -3.17439535E+000 +3.52974527E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.71636870E+006 +1.76888554E+000 +1.18046374E+004 /
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CYC3H5CHCH2+H<=>C4H612+CH3                        +2.94178734E+025 -3.32395589E+000 +3.49907586E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.94716182E+006 +1.53760361E+000 +1.13100573E+004 /
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CYC3H5CHCH2+H<=>C2H3+C3H6                         +9.57579273E+028 -4.33129116E+000 +3.77487716E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.68816105E+015 -1.17623967E+000 +9.91992099E+003 /
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CYC3H5CHCH2+H<=>C2H4+C3H5-A                       +3.40186767E+026 -3.87034545E+000 +3.14645791E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.62628192E+009 +3.02546825E-001 +5.71583060E+003 /
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CYC3H5CHCH2+H<=>C2H4+C3H5-S                       +1.38651234E+010 +1.55350554E+000 +1.58014310E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.91591545E+012 +6.27744014E-001 +9.63589074E+003 /
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CYC3H5CHCH2+H<=>C3H4-P+C2H5                       +3.11606580E+029 -4.19383914E+000 +2.96978792E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +9.77898799E+024 -3.40968467E+000 +1.44296434E+004 /
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CYC3H4CHCH3+H<=>CYC3H5CHCH2+H                     +3.49081116E-002 +4.50160501E+000 +9.15250784E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.73006044E-002 +4.22638523E+000 +4.51211651E+003 /
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CYC3H4CHCH3+H<=>C4H61-3+CH3                          +2.62997226E+025 -3.11916594E+000 +2.12546988E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.87763892E+020 -2.29104726E+000 +6.53786935E+003 /
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PLOG /                           +1.00000000E+002 +2.62997226E+025 -3.11916594E+000 +2.12546988E+004 /
CYC3H4CHCH3+H<=>C4H6-1+CH3                        +1.19569663E+022 -2.48885185E+000 +2.93280331E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.28159191E+002 +2.74758929E+000 +7.62009631E+003 /
PLOG /                           +1.00000000E-001 +3.33425845E+003 +2.41484532E+000 +8.38039785E+003 /
PLOG /                           +1.00000000E+000 +9.29866445E+009 +5.84122003E-001 +1.27936184E+004 /
PLOG /                           +1.00000000E+001 +2.38200777E+022 -2.86291580E+000 +2.28914486E+004 /
PLOG /                           +1.00000000E+002 +1.19569663E+022 -2.48885185E+000 +2.93280331E+004 /
CYC3H4CHCH3+H<=>C4H612+CH3                        +3.01222740E+022 -2.69180272E+000 +2.91563576E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.68130455E+002 +2.48401383E+000 +7.34214047E+003 /
PLOG /                           +1.00000000E-001 +1.45149870E+004 +2.13437263E+000 +8.13676903E+003 /
PLOG /                           +1.00000000E+000 +8.39882806E+010 +2.13448524E-001 +1.27624835E+004 /
PLOG /                           +1.00000000E+001 +2.44054598E+023 -3.24477442E+000 +2.29845789E+004 /
PLOG /                           +1.00000000E+002 +3.01222740E+022 -2.69180272E+000 +2.91563576E+004 /
CYC3H4CHCH3+H<=>C2H3+C3H6                         +3.36681931E+027 -4.16211314E+000 +3.26519160E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.00281752E+011 -3.46874823E-001 +7.20380613E+003 /
PLOG /                           +1.00000000E-001 +8.76919612E+013 -9.27548994E-001 +8.57395461E+003 /
PLOG /                           +1.00000000E+000 +5.33789728E+023 -3.68754990E+000 +1.56529932E+004 /
PLOG /                           +1.00000000E+001 +9.09058975E+035 -6.98455465E+000 +2.78171705E+004 /
PLOG /                           +1.00000000E+002 +3.36681931E+027 -4.16211314E+000 +3.26519160E+004 /
CYC3H4CHCH3+H<=>C2H4+C3H5-A                       +9.34603542E+023 -3.36270849E+000 +2.63278139E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.25172399E+009 +3.93075745E-001 +5.23765190E+003 /
PLOG /                           +1.00000000E-001 +1.00157369E+010 +1.35619766E-001 +5.83800555E+003 /
PLOG /                           +1.00000000E+000 +2.13217969E+016 -1.65405714E+000 +1.03221193E+004 /
PLOG /                           +1.00000000E+001 +8.52740672E+026 -4.54589416E+000 +2.00902704E+004 /
PLOG /                           +1.00000000E+002 +9.34603542E+023 -3.36270849E+000 +2.63278139E+004 /
CYC3H4CHCH3+H<=>C2H4+C3H5-S                       +1.94731012E+010 +1.34138893E+000 +1.34716347E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.69989398E+009 +1.25126233E+000 +6.88916256E+003 /
PLOG /                           +1.00000000E-001 +9.20929143E+009 +1.16859974E+000 +7.09590498E+003 /
PLOG /                           +1.00000000E+000 +1.67852095E+012 +5.31266191E-001 +8.74331739E+003 /
PLOG /                           +1.00000000E+001 +1.74992801E+017 -8.33616802E-001 +1.34520358E+004 /
PLOG /                           +1.00000000E+002 +1.94731012E+010 +1.34138893E+000 +1.34716347E+004 /
CYC3H4CHCH3+H<=>C3H4-P+C2H5                       +1.05462356E+028 -4.00007266E+000 +2.54147493E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.16848066E+020 -2.15698485E+000 +1.02144659E+004 /
PLOG /                           +1.00000000E-001 +3.77789706E+020 -2.30130751E+000 +1.05720821E+004 /
PLOG /                           +1.00000000E+000 +3.87334486E+024 -3.43284817E+000 +1.34721008E+004 /
PLOG /                           +1.00000000E+001 +5.09212875E+033 -5.92137784E+000 +2.18329261E+004 /
PLOG /                           +1.00000000E+002 +1.05462356E+028 -4.00007266E+000 +2.54147493E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: CYC3H4C2H5-2<=>WELLS/PRODUCTS
!___________________________________________________________________________________________________________ 
CYC3H4C2H5-2<=>CYC3H4C2H5-1                       +6.45900000E+009 +1.04600000E+000 +4.08527240E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYC3H4C2H5-2<=>C2H5+CC3H4                         +2.07900000E+014 +1.82000000E-001 +4.50584540E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYC3H4C2H5-2<=>CYC3H3-1C2H5+H                     +5.85900000E+011 +7.89000000E-001 +5.00647050E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYC3H4C2H5-2<=>CYC3H3-3C2H5+H                     +2.09500000E+011 +9.74000000E-001 +5.28483580E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYC3H3-1C2H5+H<=>C2H2+NC3H7                       +2.09274299E+022 -3.05621449E+000 +2.40827589E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.16234628E-001 +3.23481467E+000 +3.22929317E+003 /
PLOG /                           +1.00000000E-001 +3.14424362E-001 +3.18867082E+000 +3.34146796E+003 /
PLOG /                           +1.00000000E+000 +1.90947455E+001 +2.68237824E+000 +4.56827178E+003 /
PLOG /                           +1.00000000E+001 +7.96009008E+010 -2.34070059E-002 +1.16934236E+004 /
PLOG /                           +1.00000000E+002 +2.09274299E+022 -3.05621449E+000 +2.40827589E+004 /
CYC3H3-1C2H5+H<=>C2H3+C3H6                        +1.37887186E+022 -2.72454122E+000 +2.18051529E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.31523463E+002 +2.71195916E+000 +2.63879531E+003 /
PLOG /                           +1.00000000E-001 +1.57404113E+002 +2.68986452E+000 +2.69366265E+003 /
PLOG /                           +1.00000000E+000 +4.86445960E+003 +2.26614889E+000 +3.70525877E+003 /
PLOG /                           +1.00000000E+001 +3.05396757E+013 -4.91027077E-001 +1.09353371E+004 /
PLOG /                           +1.00000000E+002 +1.37887186E+022 -2.72454122E+000 +2.18051529E+004 /
CYC3H3-1C2H5+H<=>C2H4+C3H5-A                      +1.16072369E+016 -1.11963848E+000 +1.54198969E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.81613293E-001 +3.43936640E+000 +1.49220998E+003 /
PLOG /                           +1.00000000E-001 +3.98252196E-001 +3.43416971E+000 +1.50641525E+003 /
PLOG /                           +1.00000000E+000 +1.03180102E+000 +3.31685389E+000 +1.79332814E+003 /
PLOG /                           +1.00000000E+001 +6.02762202E+004 +1.96978644E+000 +5.20101267E+003 /
PLOG /                           +1.00000000E+002 +1.16072369E+016 -1.11963848E+000 +1.54198969E+004 /
CYC3H3-1C2H5+H<=>C2H4+C3H5-S                      +7.01132991E+021 -2.61447456E+000 +1.97183801E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.89742538E+004 +2.01958824E+000 +2.30006392E+003 /
PLOG /                           +1.00000000E-001 +4.38779984E+004 +2.03413996E+000 +2.29212868E+003 /
PLOG /                           +1.00000000E+000 +3.56810553E+005 +1.77514293E+000 +2.94656831E+003 /
PLOG /                           +1.00000000E+001 +2.00935907E+014 -6.94223605E-001 +9.40754789E+003 /
PLOG /                           +1.00000000E+002 +7.01132991E+021 -2.61447456E+000 +1.97183801E+004 /
CYC3H3-3C2H5+H<=>C2H2+NC3H7                       +4.49050150E+020 -2.63406116E+000 +2.18244778E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.48909027E-002 +3.36845806E+000 +2.58240242E+003 /
PLOG /                           +1.00000000E-001 +8.18929668E-002 +3.33979838E+000 +2.65259639E+003 /
PLOG /                           +1.00000000E+000 +1.24994578E+000 +3.00375097E+000 +3.46671763E+003 /
PLOG /                           +1.00000000E+001 +2.20060492E+008 +6.78993141E-001 +9.46106035E+003 /
PLOG /                           +1.00000000E+002 +4.49050150E+020 -2.63406116E+000 +2.18244778E+004 /
CYC3H3-3C2H5+H<=>C2H3+C3H6                        +1.72105667E+021 -2.52319353E+000 +2.00702678E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.29612495E+002 +2.62604395E+000 +2.55561739E+003 /
PLOG /                           +1.00000000E-001 +2.53942597E+002 +2.61368856E+000 +2.58708164E+003 /
PLOG /                           +1.00000000E+000 +1.78997393E+003 +2.37265980E+000 +3.16646692E+003 /
PLOG /                           +1.00000000E+001 +2.53623312E+011 +7.31525282E-002 +9.06731071E+003 /
PLOG /                           +1.00000000E+002 +1.72105667E+021 -2.52319353E+000 +2.00702678E+004 /
CYC3H3-3C2H5+H<=>C2H4+C3H5-A                      +3.47354124E+014 -7.25290837E-001 +1.36264854E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.38111256E-001 +3.32853072E+000 +1.51042783E+003 /
PLOG /                           +1.00000000E-001 +8.61631124E-001 +3.32517351E+000 +1.51993185E+003 /
PLOG /                           +1.00000000E+000 +1.42734260E+000 +3.26316240E+000 +1.67641491E+003 /
PLOG /                           +1.00000000E+001 +4.21196915E+003 +2.28167902E+000 +4.14255883E+003 /
PLOG /                           +1.00000000E+002 +3.47354124E+014 -7.25290837E-001 +1.36264854E+004 /
CYC3H3-3C2H5+H<=>C2H4+C3H5-S                      +6.20971637E+020 -2.36677229E+000 +1.80284285E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.03899327E+004 +2.20311643E+000 +1.84134486E+003 /
PLOG /                           +1.00000000E-001 +8.57626280E+003 +2.22795906E+000 +1.81151973E+003 /
PLOG /                           +1.00000000E+000 +2.24728830E+004 +2.10928134E+000 +2.13941990E+003 /
PLOG /                           +1.00000000E+001 +5.05172808E+011 +2.63345835E-002 +7.42861100E+003 /
PLOG /                           +1.00000000E+002 +6.20971637E+020 -2.36677229E+000 +1.80284285E+004 /
CYC3H3-3C2H5+H<=>C2H5+C3H4-A                      +5.40932112E+014 -9.30149343E-001 +1.88329383E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.10360208E-006 +4.84272912E+000 +2.44011276E+003 /
PLOG /                           +1.00000000E-001 +1.20076727E-006 +4.83236402E+000 +2.46622916E+003 /
PLOG /                           +1.00000000E+000 +3.37197406E-006 +4.70512044E+000 +2.77731635E+003 /
PLOG /                           +1.00000000E+001 +7.06869010E-001 +3.19580470E+000 +6.47446649E+003 /
PLOG /                           +1.00000000E+002 +5.40932112E+014 -9.30149343E-001 +1.88329383E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: CH2CYC3H4CH3<=>WELLS/PRODUCTS
!___________________________________________________________________________________________________________ 
CH2CYC3H4CH3=C3H6+C2H3                            +2.89000000E+013 +0.00000000E+000 +3.54800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: RATE CONSTANT OF 10 ATM 
CH2CYC3H4CH3=C4H61-3+CH3                             +1.85000000E+012 +0.00000000E+000 +2.65900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: RATE CONSTANT OF 10 ATM 
CH2CYC3H4CH3<=>CH3CYC3H3CH3                       +2.83500000E+007 +1.63700000E+000 +4.55088540E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH2CYC3H4CH3<=>CYC4H6-3-CH3                       +1.61900000E+010 +7.27000000E-001 +4.57049530E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH2CYC3H4CH3<=>CH2CYC3H3CH3+H                     +4.43300000E+009 +1.16400000E+000 +4.95804950E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH3CYC3H3CH3<=>C4H61-3+CH3                           +8.53752246E+012 +3.05892439E-001 +4.88607245E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.33431872E+055 -1.30836127E+001 +5.73248781E+004 /
PLOG /                           +1.00000000E-001 +5.54145143E+046 -1.03183937E+001 +5.56541113E+004 /
PLOG /                           +1.00000000E+000 +1.22806743E+039 -7.78016504E+000 +5.49602428E+004 /
PLOG /                           +1.00000000E+001 +1.74351863E+030 -4.91961111E+000 +5.43541979E+004 /
PLOG /                           +1.00000000E+002 +8.53752246E+012 +3.05892439E-001 +4.88607245E+004 /
CYC4H6-3-CH3<=>C4H61-3+CH3                           +2.66113568E+035 -6.08779846E+000 +5.59316964E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.22400822E+064 -1.61265022E+001 +4.84777224E+004 /
PLOG /                           +1.00000000E-001 +5.84547786E+065 -1.61477097E+001 +5.35416217E+004 /
PLOG /                           +1.00000000E+000 +2.38898399E+062 -1.46760695E+001 +5.71436212E+004 /
PLOG /                           +1.00000000E+001 +2.98689235E+053 -1.16555670E+001 +5.86216747E+004 /
PLOG /                           +1.00000000E+002 +2.66113568E+035 -6.08779846E+000 +5.59316964E+004 /
CH2CYC3H3CH3+H<=>C2H2+NC3H7                       +5.54235207E+027 -4.24705981E+000 +2.78111685E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.41381571E+017 -1.70745709E+000 +1.24926416E+004 /
PLOG /                           +1.00000000E-001 +2.41422867E+018 -1.94901504E+000 +1.30695960E+004 /
PLOG /                           +1.00000000E+000 +9.34932687E+022 -3.24538526E+000 +1.63493635E+004 /
PLOG /                           +1.00000000E+001 +6.02165040E+030 -5.37904037E+000 +2.34768606E+004 /
PLOG /                           +1.00000000E+002 +5.54235207E+027 -4.24705981E+000 +2.78111685E+004 /
CH2CYC3H3CH3+H<=>C2H3+C3H6                        +7.75075467E+012 +3.72968196E-001 +1.54504456E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +9.13511754E+007 +1.45976448E+000 +5.03058015E+003 /
PLOG /                           +1.00000000E-001 +8.79073061E+008 +1.17940489E+000 +5.68239243E+003 /
PLOG /                           +1.00000000E+000 +3.07982619E+014 -3.90375759E-001 +9.57284208E+003 /
PLOG /                           +1.00000000E+001 +1.10069632E+021 -2.16643015E+000 +1.58138714E+004 /
PLOG /                           +1.00000000E+002 +7.75075467E+012 +3.72968196E-001 +1.54504456E+004 /
CH2CYC3H3CH3+H<=>C2H4+C3H5-A                      +3.13296015E+019 -1.80797152E+000 +2.14174591E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.05331385E+002 +2.77022874E+000 +8.61981775E+002 /
PLOG /                           +1.00000000E-001 +4.47257020E+002 +2.58928731E+000 +1.24137948E+003 /
PLOG /                           +1.00000000E+000 +2.87472105E+009 +6.57186019E-001 +5.92088677E+003 /
PLOG /                           +1.00000000E+001 +3.33494069E+019 -2.10173739E+000 +1.48460573E+004 /
PLOG /                           +1.00000000E+002 +3.13296015E+019 -1.80797152E+000 +2.14174591E+004 /
CH2CYC3H3CH3+H<=>C2H4+C3H5-S                      +3.24464940E+026 -4.18873136E+000 +3.33227396E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.91471518E+009 -7.67969318E-002 +8.13635879E+003 /
PLOG /                           +1.00000000E-001 +2.86970781E+011 -5.05374394E-001 +9.16256592E+003 /
PLOG /                           +1.00000000E+000 +4.75448492E+019 -2.82485828E+000 +1.50937079E+004 /
PLOG /                           +1.00000000E+001 +3.07542785E+032 -6.30801401E+000 +2.71704597E+004 /
PLOG /                           +1.00000000E+002 +3.24464940E+026 -4.18873136E+000 +3.33227396E+004 /
CH2CYC3H3CH3+H<=>C2H5+C3H4-A                      +2.27832467E+025 -3.76962616E+000 +3.15964060E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +7.01361876E-003 +3.67511274E+000 +4.49304843E+003 /
PLOG /                           +1.00000000E-001 +2.27174690E-001 +3.24366896E+000 +5.47929047E+003 /
PLOG /                           +1.00000000E+000 +6.56983784E+007 +8.38422732E-001 +1.12300532E+004 /
PLOG /                           +1.00000000E+001 +7.17049080E+022 -3.35487306E+000 +2.31332502E+004 /
PLOG /                           +1.00000000E+002 +2.27832467E+025 -3.76962616E+000 +3.15964060E+004 /
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C5H10-1/C5H10-2
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C5H81-3C5H8D14\CYC3H5CHCH2!TODO!
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: C5H81-3=>PRODUCTS
!___________________________________________________________________________________________________________ 
C5H81-3<=>H+CVCCJCVC                              +1.21000000E+028 -3.99000000E+000 +8.72430000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.91000000E+061 -1.40900000E+001 +1.01109000E+005 /
PLOG /                           +1.00000000E-001 +3.39000000E+052 -1.14000000E+001 +9.77010000E+004 /
PLOG /                           +1.00000000E+000 +9.23000000E+043 -8.79000000E+000 +9.41650000E+004 /
PLOG /                           +1.00000000E+001 +4.53000000E+035 -6.27000000E+000 +9.05950000E+004 /
PLOG /                           +1.00000000E+002 +1.21000000E+028 -3.99000000E+000 +8.72430000E+004 /
C5H81-3<=>CH3+C4H5-N                              +3.84000000E+054 -1.13100000E+001 +1.18997000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.04000000E+090 -2.29900000E+001 +1.29625000E+005 /
PLOG /                           +1.00000000E-001 +9.88000000E+086 -2.15300000E+001 +1.30012000E+005 /
PLOG /                           +1.00000000E+000 +5.65000000E+078 -1.88200000E+001 +1.27986000E+005 /
PLOG /                           +1.00000000E+001 +2.53000000E+067 -1.52500000E+001 +1.24060000E+005 /
PLOG /                           +1.00000000E+002 +3.84000000E+054 -1.13100000E+001 +1.18997000E+005 /
C5H81-3<=>C3H5-S+C2H3                             +1.77000000E+070 -1.59100000E+001 +1.36233000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.67000000E+079 -2.00800000E+001 +1.32635000E+005 /
PLOG /                           +1.00000000E-001 +2.76000000E+084 -2.11300000E+001 +1.36438000E+005 /
PLOG /                           +1.00000000E+000 +1.69000000E+086 -2.12600000E+001 +1.39621000E+005 /
PLOG /                           +1.00000000E+001 +2.08000000E+081 -1.94500000E+001 +1.39637000E+005 /
PLOG /                           +1.00000000E+002 +1.77000000E+070 -1.59100000E+001 +1.36233000E+005 /
CYC3H5CHCH2=C5H81-3                               +1.01000000E+012 +0.00000000E+000 +5.36500000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
CYC3H5CHCH2=C5H81-3                               +8.00000000E+013 +0.00000000E+000 +5.62400000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: FH_VINYLIC_O-ADDITION
!___________________________________________________________________________________________________________ 
C5H81-3+O=>C4H61-3+CH2O                              +2.24000000E+011 +6.79000000E-001 +2.14900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +7.78000000E+010 +8.09000000E-001 +1.85700000E+003 /
PLOG /                           +1.00000000E+000 +7.26000000E+010 +8.19000000E-001 +1.82900000E+003 /
PLOG /                           +1.00000000E+001 +2.24000000E+011 +6.79000000E-001 +2.14900000E+003 /
C5H81-3+O<=>CH2O+C4H612                           +2.24000000E+011 +6.79000000E-001 +2.14900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +7.78000000E+010 +8.09000000E-001 +1.85700000E+003 /
PLOG /                           +1.00000000E+000 +7.26000000E+010 +8.19000000E-001 +1.82900000E+003 /
PLOG /                           +1.00000000E+001 +2.24000000E+011 +6.79000000E-001 +2.14900000E+003 /
C5H81-3+O<=>C3H5-S+CH2CHO                         +2.46000000E+011 +5.62000000E-001 +1.22000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +2.29000000E+011 +5.70000000E-001 +1.18900000E+003 /
PLOG /                           +1.00000000E+000 +1.62000000E+009 +1.25300000E+000 +5.39000000E+002 /
PLOG /                           +1.00000000E+001 +2.46000000E+011 +5.62000000E-001 +1.22000000E+003 /
C5H81-3+O<=>C2H3+CH3CHCHO                         +2.46000000E+011 +5.62000000E-001 +1.22000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +2.29000000E+011 +5.70000000E-001 +1.18900000E+003 /
PLOG /                           +1.00000000E+000 +1.62000000E+009 +1.25300000E+000 +5.39000000E+002 /
PLOG /                           +1.00000000E+001 +2.46000000E+011 +5.62000000E-001 +1.22000000E+003 /
C5H81-3+O<=>CH2CHCHCHO+CH3                        +2.46000000E+011 +5.62000000E-001 +1.22000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +2.29000000E+011 +5.70000000E-001 +1.18900000E+003 /
PLOG /                           +1.00000000E+000 +1.62000000E+009 +1.25300000E+000 +5.39000000E+002 /
PLOG /                           +1.00000000E+001 +2.46000000E+011 +5.62000000E-001 +1.22000000E+003 /
C5H8D14+O=>C4H61-3+CH2O                              +4.48000000E+011 +6.79000000E-001 +2.14900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +1.56000000E+011 +8.09000000E-001 +1.85700000E+003 /
PLOG /                           +1.00000000E+000 +1.45000000E+011 +8.19000000E-001 +1.82900000E+003 /
PLOG /                           +1.00000000E+001 +4.48000000E+011 +6.79000000E-001 +2.14900000E+003 /

C5H81-3+OH<=>C5H9OH1-2,4                       +1.28991142E+09 +1.11613223E+00 -2.73701734E+03 !C4H6+OH<=>C4H64,2-1OH \Author: SD !\Ref: Bai J, Cavallotti C, Zhou C W. Combustion and Flame, 2020, 221: 228-240. !\Comment:
PLOG / +1.00000E-02 +1.32824962E+43 -1.00967871E+01 +5.94201268E+03/ ! Mean Error = 12.37 Max Error = 24.94
PLOG / +1.00000E-01 +2.24759210E+35 -7.42703371E+00 +4.36930460E+03/ ! Mean Error = 15.24 Max Error = 27.61
PLOG / +1.00000E+00 +1.07973940E+27 -4.65704995E+00 +2.36828707E+03/ ! Mean Error = 15.24 Max Error = 30.41
PLOG / +1.00000E+01 +2.25206899E+21 -2.78168648E+00 +9.47046328E+02/ ! Mean Error = 14.40 Max Error = 33.79
PLOG / +1.00000E+02 +1.77988060E+17 -1.44327119E+00 -1.38973732E+02/ ! Mean Error = 12.96 Max Error = 35.05

C5H9OH1-2,4+O2<=>C5H8OH13-2O2                    +9.14000000E+002 +2.17900000E+000 -2.20000000E+003 !C5H91-3+O2<=>C5H91-3O2\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C5H8OH13-2O2<=>C5H83OOH2-1O                     +2.61000000E+010 +2.90000000E-001 +2.03780000E+004 !C5H10OH-2O2<=>C5H10OOH2-1O\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H83OOH2-1O=>SC3H5CHO+CH2O+OH                  +1.99000000E+019 -1.50000000E+000 +1.08200000E+004 !C5H10OOH2-1O=>NC3H7CHO+CH2O+OH\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: FH_UNIMOLECULARDECOMPOSITIONANDISOMERIZATION
!___________________________________________________________________________________________________________ 
C5H7-14-1+H=C5H8D14                               +6.39000000E+049 -1.03500000E+001 +2.19020000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.82000000E+056 -1.42800000E+001 +1.64070000E+004 /
PLOG /                           +1.00000000E-002 +1.95000000E+045 -1.14000000E+001 +6.30900000E+003 /
PLOG /                           +1.00000000E-001 +1.24000000E+062 -1.52200000E+001 +1.91120000E+004 /
PLOG /                           +1.00000000E-001 +2.65000000E+048 -1.17500000E+001 +7.58400000E+003 /
PLOG /                           +1.00000000E+000 +3.77000000E+060 -1.42400000E+001 +2.06030000E+004 /
PLOG /                           +1.00000000E+000 +4.28000000E+042 -9.54000000E+000 +6.78900000E+003 /
PLOG /                           +1.00000000E+001 +9.10000000E+056 -1.27400000E+001 +2.22840000E+004 /
PLOG /                           +1.00000000E+001 +4.44000000E+034 -6.79000000E+000 +5.17000000E+003 /
PLOG /                           +1.00000000E+002 +6.39000000E+049 -1.03500000E+001 +2.19020000E+004 /
PLOG /                           +1.00000000E+002 +5.11000000E+026 -4.13000000E+000 +3.31300000E+003 /
CVCCJCVC+H=C5H8D14                                +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H3+C3H5-A=C5H8D14                               +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYC3H5CHCH2=C5H8D14                               +2.70000000E+014 +0.00000000E+000 +5.72300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C5H81-3+H<=>C4H61-3+CH3                              +4.12870401E+012 +1.05671833E+000 +1.75392360E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +9.86929261E+025 -3.38352624E+000 +1.10171149E+004 /
PLOG /                           +1.00000000E-001 +2.62766658E+035 -6.01609406E+000 +1.83402863E+004 /
PLOG /                           +1.00000000E+000 +9.35432211E+039 -7.17224766E+000 +2.43231337E+004 /
PLOG /                           +1.00000000E+001 +1.41019831E+032 -4.72150114E+000 +2.42939386E+004 /
PLOG /                           +1.00000000E+002 +4.12870401E+012 +1.05671833E+000 +1.75392360E+004 /
C5H81-3+H<=>C2H3+C3H6                             +8.11982388E+011 +1.14429744E+000 +2.19490007E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.21146747E+017 -1.02064827E+000 +1.34573583E+004 /
PLOG /                           +1.00000000E-001 +2.63139308E+025 -3.19686608E+000 +1.89475097E+004 /
PLOG /                           +1.00000000E+000 +6.37434960E+032 -5.21154036E+000 +2.56807193E+004 /
PLOG /                           +1.00000000E+001 +3.70495937E+029 -4.09961562E+000 +2.77769109E+004 /
PLOG /                           +1.00000000E+002 +8.11982388E+011 +1.14429744E+000 +2.19490007E+004 /
C5H81-3+H<=>C2H4+C3H5-S                           +1.54016946E+008 +2.29190405E+000 +2.13589630E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.82168542E+013 +2.60551393E-001 +1.54403293E+004 /
PLOG /                           +1.00000000E-001 +2.44990653E+018 -1.00309884E+000 +1.84496680E+004 /
PLOG /                           +1.00000000E+000 +2.81244984E+024 -2.68841186E+000 +2.33261866E+004 /
PLOG /                           +1.00000000E+001 +9.87302431E+023 -2.41108714E+000 +2.62611015E+004 /
PLOG /                           +1.00000000E+002 +1.54016946E+008 +2.29190405E+000 +2.13589630E+004 /
C5H81-3+H=C5H8D14+H                               +4.07000000E+031 -4.54000000E+000 +3.34700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.77000000E+052 -1.20800000E+001 +2.57200000E+004 /
PLOG /                           +1.00000000E-002 +2.33000000E+013 +2.90000000E-001 +1.18500000E+004 /
PLOG /                           +1.00000000E-001 +1.26000000E+030 -4.70000000E+000 +2.07000000E+004 /
PLOG /                           +1.00000000E-001 +8.52000000E+008 +1.60000000E+000 +1.14800000E+004 /
PLOG /                           +1.00000000E+000 +3.14000000E+033 -5.47000000E+000 +2.56400000E+004 /
PLOG /                           +1.00000000E+000 +1.50000000E+006 +2.40000000E+000 +1.17000000E+004 /
PLOG /                           +1.00000000E+001 +5.08000000E+032 -5.01000000E+000 +2.94200000E+004 /
PLOG /                           +1.00000000E+001 +1.71000000E+005 +2.54000000E+000 +1.21800000E+004 /
PLOG /                           +1.00000000E+002 +4.07000000E+031 -4.54000000E+000 +3.34700000E+004 /
PLOG /                           +1.00000000E+002 +1.11000000E-001 +4.41000000E+000 +1.14100000E+004 /
CC5H9-A=C4H61-3+CH3                                  +4.27000000E+024 -3.37000000E+000 +3.59200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E+000 +1.28000000E-002 +4.65000000E+000 +2.48800000E+004 /
PLOG /                           +1.00000000E+001 +7.72000000E+106 -2.72100000E+001 +8.82300000E+004 /
PLOG /                           +1.00000000E+001 +1.44000000E+013 -1.80000000E-001 +2.85000000E+004 /
PLOG /                           +1.00000000E+002 +4.27000000E+024 -3.37000000E+000 +3.59200000E+004 /
PLOG /                           +1.00000000E+002 +1.39000000E+017 -1.46000000E+000 +2.95100000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: FH_ABSTRACTION
!___________________________________________________________________________________________________________ 
CYC3H5CHCH2+O2=>CVCCJCVC+HO2                      +3.60000000E+014 +0.00000000E+000 +5.28740000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYC3H5CHCH2+H=>CVCCJCVC+H2                        +2.16000000E+005 +2.66600000E+000 +6.03400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYC3H5CHCH2+O=>CVCCJCVC+OH                        +5.75000000E+007 +1.85800000E+000 +4.74100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYC3H5CHCH2+OH=>CVCCJCVC+H2O                      +2.68000000E+006 +2.11000000E+000 +8.34000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYC3H5CHCH2+HO2=>CVCCJCVC+H2O2                    +1.64000000E+008 +2.00000000E+000 +2.41060000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CYC3H5CHCH2+CH3=>CVCCJCVC+CH4                     +3.49000000E+000 +3.49400000E+000 +7.37000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81-3+O2<=>CVCCJCVC+HO2                         +3.87000000E+001 +3.52000000E+000 +3.62000000E+004 !\Author: WARNING !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C5H81-3+H<=>CVCCJCVC+H2                           +3.39900000E+005 +2.65300000E+000 +4.86869600E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81-3+O<=>CVCCJCVC+OH                           +9.68000000E-003 +4.54000000E+000 -2.46980000E+003 !\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C5H81-3+OH<=>CVCCJCVC+H2O                         +4.46000000E+006 +2.07200000E+000 +1.05080000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81-3+HO2<=>CVCCJCVC+H2O2                       +1.72000000E-001 +4.00000000E+000 +1.21030000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C5H81-3+CH3=CVCCJCVC+CH4                          +8.99000000E+002 +2.84000000E+000 +5.77000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81-3+O2<=>C5H7-13-2+HO2                        +2.00000000E+013 +0.00000000E+000 +4.98000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81-3+H<=>C5H7-13-2+H2                          +5.92500000E+008 +1.61800000E+000 +1.28787820E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81-3+O<=>C5H7-13-2+OH                          +1.44000000E+005 +2.61000000E+000 +3.02900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81-3+OH<=>C5H7-13-2+H2O                        +1.54000000E+006 +2.07000000E+000 +1.44058000E+003 !\Author: WARNING !\Ref: VASU ET AL. J. PHYS. CHEM. A, 2010, 114, 8312-8318 !\Comment: WARNING 
DUP
C5H81-3+OH<=>C5H7-13-2+H2O                        +1.62000000E+006 +1.99000000E+000 +2.14993000E+003 !\Author: WARNING !\Ref: VASU ET AL. J. PHYS. CHEM. A, 2010, 114, 8312-8318 !\Comment: WARNING 
DUP
C5H81-3+HO2<=>C5H7-13-2+H2O2                      +7.51000000E-003 +4.52000000E+000 +1.47100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81-3+CH3=C5H7-13-2+CH4                         +5.46000000E+004 +2.54700000E+000 +1.18580000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81-3+O2<=>C5H7-13-3+HO2                        +2.00000000E+013 +0.00000000E+000 +4.98000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81-3+H<=>C5H7-13-3+H2                          +8.52300000E+008 +1.55800000E+000 +1.36176130E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81-3+O<=>C5H7-13-3+OH                          +1.44000000E+005 +2.61000000E+000 +3.02900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81-3+OH<=>C5H7-13-3+H2O                        +1.54000000E+006 +2.07000000E+000 +1.44058000E+003 !\Author: WARNING !\Ref: VASU ET AL. J. PHYS. CHEM. A, 2010, 114, 8312-8318 !\Comment: WARNING 
DUP
C5H81-3+OH<=>C5H7-13-3+H2O                        +1.62000000E+006 +1.99000000E+000 +2.14993000E+003 !\Author: WARNING !\Ref: VASU ET AL. J. PHYS. CHEM. A, 2010, 114, 8312-8318 !\Comment: WARNING 
DUP
C5H81-3+HO2<=>C5H7-13-3+H2O2                      +7.51000000E-003 +4.52000000E+000 +1.47100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81-3+CH3=C5H7-13-3+CH4                         +5.46000000E+004 +2.54700000E+000 +1.18580000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H7-13-2+O2=>C3H5-S+CH2CO+O                      +1.04000000E-001 +3.80000000E+000 +1.00700000E+004 !\Author: WARNING !\Ref: RUTZ ET AL., JPCA, 2011, 115, 1018-1026. !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +6.71000000E+004 +1.80000000E+000 +5.16000000E+002 /
PLOG /                           +1.00000000E-002 +4.38000000E+007 +1.00000000E+000 +6.86000000E+003 /
PLOG /                           +1.00000000E-001 +1.77000000E+011 -1.00000000E-002 +9.53000000E+003 /
PLOG /                           +1.00000000E+000 +1.02000000E+012 -1.60000000E-001 +1.15300000E+004 /
PLOG /                           +1.00000000E+001 +6.11000000E+007 +1.16000000E+000 +1.17200000E+004 /
PLOG /                           +1.00000000E+002 +1.04000000E-001 +3.80000000E+000 +1.00700000E+004 /
C5H7-13-2+O2<=>SC3H5CO+CH2O                       +2.19000000E+009 +1.08000000E+000 +1.24200000E+004 !\Author: WARNING !\Ref: RUTZ ET AL., JPCA, 2011, 115, 1018-1026. !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.50000000E+015 -1.08000000E+000 +3.77000000E+003 /
PLOG /                           +1.00000000E-002 +3.88000000E+018 -2.05000000E+000 +6.06000000E+003 /
PLOG /                           +1.00000000E-001 +6.85000000E+020 -2.64000000E+000 +8.49000000E+003 /
PLOG /                           +1.00000000E+000 +4.52000000E+019 -2.20000000E+000 +9.99000000E+003 /
PLOG /                           +1.00000000E+001 +8.21000000E+015 -1.00000000E+000 +1.11100000E+004 /
PLOG /                           +1.00000000E+002 +2.19000000E+009 +1.08000000E+000 +1.24200000E+004 /
C5H7-13-2+O2<=>CH3CHCHO+CH2CO                     +1.53000000E+006 +1.71000000E+000 +1.41900000E+004 !\Author: WARNING !\Ref: RUTZ ET AL., JPCA, 2011, 115, 1018-1026. !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +3.09000000E+007 +9.10000000E-001 +4.48000000E+003 /
PLOG /                           +1.00000000E-002 +7.45000000E+010 -5.00000000E-002 +6.56000000E+003 /
PLOG /                           +1.00000000E-001 +3.23000000E+014 -1.06000000E+000 +9.38000000E+003 /
PLOG /                           +1.00000000E+000 +7.40000000E+015 -1.37000000E+000 +1.19100000E+004 /
PLOG /                           +1.00000000E+001 +1.80000000E+014 -7.90000000E-001 +1.40000000E+004 /
PLOG /                           +1.00000000E+002 +1.53000000E+006 +1.71000000E+000 +1.41900000E+004 /
C5H7-13-3+O2=>C2H3+CH3CHCO+O                      +1.04000000E-001 +3.80000000E+000 +1.00700000E+004 !\Author: WARNING !\Ref: RUTZ ET AL., JPCA, 2011, 115, 1018-1026. !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +6.71000000E+004 +1.80000000E+000 +5.16000000E+002 /
PLOG /                           +1.00000000E-002 +4.38000000E+007 +1.00000000E+000 +6.86000000E+003 /
PLOG /                           +1.00000000E-001 +1.77000000E+011 -1.00000000E-002 +9.53000000E+003 /
PLOG /                           +1.00000000E+000 +1.02000000E+012 -1.60000000E-001 +1.15300000E+004 /
PLOG /                           +1.00000000E+001 +6.11000000E+007 +1.16000000E+000 +1.17200000E+004 /
PLOG /                           +1.00000000E+002 +1.04000000E-001 +3.80000000E+000 +1.00700000E+004 /
C5H7-13-3+O2<=>C2H3CO+CH3CHO                      +2.19000000E+009 +1.08000000E+000 +1.24200000E+004 !\Author: WARNING !\Ref: RUTZ ET AL., JPCA, 2011, 115, 1018-1026. !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.50000000E+015 -1.08000000E+000 +3.77000000E+003 /
PLOG /                           +1.00000000E-002 +3.88000000E+018 -2.05000000E+000 +6.06000000E+003 /
PLOG /                           +1.00000000E-001 +6.85000000E+020 -2.64000000E+000 +8.49000000E+003 /
PLOG /                           +1.00000000E+000 +4.52000000E+019 -2.20000000E+000 +9.99000000E+003 /
PLOG /                           +1.00000000E+001 +8.21000000E+015 -1.00000000E+000 +1.11100000E+004 /
PLOG /                           +1.00000000E+002 +2.19000000E+009 +1.08000000E+000 +1.24200000E+004 /
C5H7-13-3+O2<=>CH3CHCO+CH2CHO                     +1.53000000E+006 +1.71000000E+000 +1.41900000E+004 !\Author: WARNING !\Ref: RUTZ ET AL., JPCA, 2011, 115, 1018-1026. !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +3.09000000E+007 +9.10000000E-001 +4.48000000E+003 /
PLOG /                           +1.00000000E-002 +7.45000000E+010 -5.00000000E-002 +6.56000000E+003 /
PLOG /                           +1.00000000E-001 +3.23000000E+014 -1.06000000E+000 +9.38000000E+003 /
PLOG /                           +1.00000000E+000 +7.40000000E+015 -1.37000000E+000 +1.19100000E+004 /
PLOG /                           +1.00000000E+001 +1.80000000E+014 -7.90000000E-001 +1.40000000E+004 /
PLOG /                           +1.00000000E+002 +1.53000000E+006 +1.71000000E+000 +1.41900000E+004 /
C5H8D14+O2=CVCCJCVC+HO2                           +4.82000000E-001 +4.16000000E+000 +2.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H8D14+H<=>CVCCJCVC+H2                           +6.58100000E+006 +2.09300000E+000 +3.36787100E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H8D14+O=CVCCJCVC+OH                             +2.87000000E+007 +1.85800000E+000 +1.72200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H8D14+OH=CVCCJCVC+H2O                           +1.34000000E+006 +2.11000000E+000 -2.17100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!C5H8D14+HO2=CVCCJCVC+H2O2                         +3.37000000E+000 +3.77700000E+000 +3.83600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H8D14+HO2=CVCCJCVC+H2O2                         +3.91000000E-001 +3.97000000E+000 +0.77020000E+004 !EA-4KCAL/MOLE\AUTHOR: SD !\REF: Zador, Klippenstein, and Miller - J. Phys. Chem. A, 2011, 115 (36), pp 10218-10225 !\COMMENT: C5H10-1+HO2<=>C5H91-3+H2O2

C5H8D14+CH3=CVCCJCVC+CH4                          +4.20000000E+001 +3.21000000E+000 +3.77000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H8D14+O2<=>C5H7-14-1+HO2                        +4.00000000E+013 +0.00000000E+000 +6.22700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H8D14+O<=>C5H7-14-1+OH                          +2.40000000E+011 +7.00000000E-001 +8.95900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H8D14+OH<=>C5H7-14-1+H2O                        +7.44000000E+005 +2.36900000E+000 +2.50200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H8D14+CH3<=>C5H7-14-1+CH4                       +2.70000000E+000 +3.50000000E+000 +1.28500000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H8D14+HO2<=>C5H7-14-1+H2O2                      +1.91000000E+003 +3.05900000E+000 +2.07990000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: VINYLREACTIONPATHWAYSR+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C5H7-14-1+O2<=>HCO+AC3H5CHO                       +1.32000000E+021 -2.49000000E+000 +8.43900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.03000000E+018 -1.90000000E+000 +2.18700000E+003 /
PLOG /                           +1.00000000E-001 +3.05000000E+018 -1.90000000E+000 +2.18600000E+003 /
PLOG /                           +1.00000000E+000 +1.50000000E+019 -2.10000000E+000 +2.71200000E+003 /
PLOG /                           +1.00000000E+001 +1.49000000E+022 -2.90000000E+000 +5.75200000E+003 /
PLOG /                           +1.00000000E+002 +1.32000000E+021 -2.49000000E+000 +8.43900000E+003 /
C5H7-14-1+O2=>H+CO+AC3H5CHO                       +3.08000000E+021 -2.49000000E+000 +8.43900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +7.06000000E+018 -1.90000000E+000 +2.18700000E+003 /
PLOG /                           +1.00000000E-001 +7.11000000E+018 -1.90000000E+000 +2.18600000E+003 /
PLOG /                           +1.00000000E+000 +3.50000000E+019 -2.10000000E+000 +2.71200000E+003 /
PLOG /                           +1.00000000E+001 +3.47000000E+022 -2.90000000E+000 +5.75200000E+003 /
PLOG /                           +1.00000000E+002 +3.08000000E+021 -2.49000000E+000 +8.43900000E+003 /
C5H7-14-1+O2<=>C5H7-14-1O2                        +3.41000000E+039 -8.04000000E+000 +1.43600000E+004 !\Author: SD !\Ref: C. FRANKLIN GOLDSMITH C2H3+O2 J. PHYS. CHEM. A !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.55000000E+024 -5.45000000E+000 +9.66200000E+003 /
PLOG /                           +1.00000000E-002 +1.78000000E-009 +4.15000000E+000 -4.70700000E+003 /
PLOG /                           +1.00000000E-001 +3.48000000E+056 -1.50100000E+001 +1.91600000E+004 /
PLOG /                           +1.00000000E-001 +2.36000000E+022 -4.52000000E+000 +2.83900000E+003 /
PLOG /                           +3.16000000E-001 +1.25000000E+064 -1.69700000E+001 +2.12900000E+004 /
PLOG /                           +3.16000000E-001 +2.00000000E+026 -5.43000000E+000 +2.72500000E+003 /
PLOG /                           +1.00000000E+000 +3.34000000E+061 -1.57900000E+001 +2.01500000E+004 /
PLOG /                           +1.00000000E+000 +6.13000000E+028 -5.89000000E+000 +3.15400000E+003 /
PLOG /                           +3.16000000E+000 +7.34000000E+053 -1.31100000E+001 +1.73000000E+004 /
PLOG /                           +3.16000000E+000 +2.14000000E+029 -5.80000000E+000 +3.52000000E+003 /
PLOG /                           +1.00000000E+001 +4.16000000E+048 -1.12100000E+001 +1.60000000E+004 /
PLOG /                           +1.00000000E+001 +3.48000000E+028 -5.37000000E+000 +3.63600000E+003 /
PLOG /                           +3.16000000E+001 +2.33000000E+043 -9.38000000E+000 +1.48100000E+004 /
PLOG /                           +3.16000000E+001 +3.32000000E+027 -4.95000000E+000 +3.61000000E+003 /
PLOG /                           +1.00000000E+002 +3.41000000E+039 -8.04000000E+000 +1.43600000E+004 /
PLOG /                           +1.00000000E+002 +1.03000000E+027 -4.72000000E+000 +3.68000000E+003 /
C5H7-14-1O2<=>AC3H5CHO+HCO                        +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.66000000E+174 -5.55200000E+001 +6.03200000E+004 /
PLOG /                           +1.00000000E-002 +2.27000000E+035 -7.97000000E+000 +3.12800000E+004 /
PLOG /                           +1.00000000E-001 +9.03000000E+066 -1.72500000E+001 +4.81200000E+004 /
PLOG /                           +1.00000000E-001 +2.08000000E+026 -4.96000000E+000 +2.87800000E+004 /
PLOG /                           +3.16000000E-001 +1.82000000E+043 -9.87000000E+000 +3.79600000E+004 /
PLOG /                           +3.16000000E-001 +1.45000000E+020 -3.08000000E+000 +2.66300000E+004 /
PLOG /                           +1.00000000E+000 +8.64000000E+033 -6.88000000E+000 +3.43700000E+004 /
PLOG /                           +1.00000000E+000 +1.06000000E+130 -3.93800000E+001 +5.47000000E+004 /
PLOG /                           +3.16000000E+000 +7.29000000E+171 -4.35300000E+001 +1.91900000E+005 /
PLOG /                           +3.16000000E+000 +2.35000000E+034 -6.87000000E+000 +3.57000000E+004 /
PLOG /                           +1.00000000E+001 +1.03000000E+032 -6.06000000E+000 +3.55000000E+004 /
PLOG /                           +1.00000000E+001 +2.18000000E+175 -5.37800000E+001 +6.85000000E+004 /
PLOG /                           +3.16000000E+001 +1.85000000E+034 -6.57000000E+000 +3.85100000E+004 /
PLOG /                           +3.16000000E+001 +1.07000000E+185 -5.42200000E+001 +8.89900000E+004 /
PLOG /                           +1.00000000E+002 +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+002 +4.68000000E+002 +1.81000000E+000 +1.81000000E+004 /
C5H7-14-1O2=>AC3H5CHO+H+CO                        +1.33000000E+030 -5.19000000E+000 +3.68000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.88000000E+174 -5.55200000E+001 +6.03200000E+004 /
PLOG /                           +1.00000000E-002 +5.29000000E+035 -7.97000000E+000 +3.12800000E+004 /
PLOG /                           +1.00000000E-001 +2.11000000E+067 -1.72500000E+001 +4.81200000E+004 /
PLOG /                           +1.00000000E-001 +4.85000000E+026 -4.96000000E+000 +2.87800000E+004 /
PLOG /                           +3.16000000E-001 +4.26000000E+043 -9.87000000E+000 +3.79600000E+004 /
PLOG /                           +3.16000000E-001 +3.37000000E+020 -3.08000000E+000 +2.66300000E+004 /
PLOG /                           +1.00000000E+000 +2.02000000E+034 -6.88000000E+000 +3.43700000E+004 /
PLOG /                           +1.00000000E+000 +2.46000000E+130 -3.93800000E+001 +5.47000000E+004 /
PLOG /                           +3.16000000E+000 +1.70000000E+172 -4.35300000E+001 +1.91900000E+005 /
PLOG /                           +3.16000000E+000 +5.49000000E+034 -6.87000000E+000 +3.57000000E+004 /
PLOG /                           +1.00000000E+001 +2.40000000E+032 -6.06000000E+000 +3.55000000E+004 /
PLOG /                           +1.00000000E+001 +5.09000000E+175 -5.37800000E+001 +6.85000000E+004 /
PLOG /                           +3.16000000E+001 +4.32000000E+034 -6.57000000E+000 +3.85100000E+004 /
PLOG /                           +3.16000000E+001 +2.49000000E+185 -5.42200000E+001 +8.89900000E+004 /
PLOG /                           +1.00000000E+002 +1.33000000E+030 -5.19000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+002 +1.09000000E+003 +1.81000000E+000 +1.81000000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: F_ALLYLIC_HO2-ADDITION
!___________________________________________________________________________________________________________ 
CVCCJCVC+HO2=CVCCVCCOJ+OH                         +2.41000000E+017 -1.22800000E+000 +7.79800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +3.99000000E+009 +7.83000000E-001 -2.33000000E+003 /
PLOG /                           +1.00000000E+000 +5.00000000E+012 -8.70000000E-002 -1.10000000E+001 /
PLOG /                           +1.00000000E+001 +8.00000000E+017 -1.50300000E+000 +4.82400000E+003 /
PLOG /                           +1.00000000E+002 +2.41000000E+017 -1.22800000E+000 +7.79800000E+003 /
CVCCJCVC+HO2=CVCC(OJ)CVC+OH                       +2.41000000E+017 -1.22800000E+000 +7.79800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +3.99000000E+009 +7.83000000E-001 -2.33000000E+003 /
PLOG /                           +1.00000000E+000 +5.00000000E+012 -8.70000000E-002 -1.10000000E+001 /
PLOG /                           +1.00000000E+001 +8.00000000E+017 -1.50300000E+000 +4.82400000E+003 /
PLOG /                           +1.00000000E+002 +2.41000000E+017 -1.22800000E+000 +7.79800000E+003 /
CVCCJCVC+HO2=CVCCVCCOO                            +1.95000000E+034 -6.79500000E+000 +7.65400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +3.05000000E+017 -3.06200000E+000 -6.39400000E+003 /
PLOG /                           +1.00000000E+000 +1.65000000E+035 -7.87200000E+000 +3.12300000E+003 /
PLOG /                           +1.00000000E+001 +1.82000000E+040 -8.90600000E+000 +8.11800000E+003 /
PLOG /                           +1.00000000E+002 +1.95000000E+034 -6.79500000E+000 +7.65400000E+003 /
CVCCJCVC+HO2=CVCC(OO)CVC                          +1.95000000E+034 -6.79500000E+000 +7.65400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +3.05000000E+017 -3.06200000E+000 -6.39400000E+003 /
PLOG /                           +1.00000000E+000 +1.65000000E+035 -7.87200000E+000 +3.12300000E+003 /
PLOG /                           +1.00000000E+001 +1.82000000E+040 -8.90600000E+000 +8.11800000E+003 /
PLOG /                           +1.00000000E+002 +1.95000000E+034 -6.79500000E+000 +7.65400000E+003 /
CVCCVCCOO=CVCCVCCOJ+OH                            +6.01000000E+036 -6.49900000E+000 +4.99340000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +5.01000000E+053 -1.22850000E+001 +5.26610000E+004 /
PLOG /                           +1.00000000E+000 +3.02000000E+052 -1.15920000E+001 +5.42560000E+004 /
PLOG /                           +1.00000000E+001 +4.92000000E+046 -9.60800000E+000 +5.34250000E+004 /
PLOG /                           +1.00000000E+002 +6.01000000E+036 -6.49900000E+000 +4.99340000E+004 /
CVCC(OO)CVC=CVCC(OJ)CVC+OH                        +6.01000000E+036 -6.49900000E+000 +4.99340000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +5.01000000E+053 -1.22850000E+001 +5.26610000E+004 /
PLOG /                           +1.00000000E+000 +3.02000000E+052 -1.15920000E+001 +5.42560000E+004 /
PLOG /                           +1.00000000E+001 +4.92000000E+046 -9.60800000E+000 +5.34250000E+004 /
PLOG /                           +1.00000000E+002 +6.01000000E+036 -6.49900000E+000 +4.99340000E+004 /
CVCCVCCOJ=CVCCVCCVO+H                             +2.62000000E+025 -3.76300000E+000 +2.31650000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +2.14000000E+016 -1.92400000E+000 +1.59690000E+004 /
PLOG /                           +1.00000000E+000 +5.85000000E+017 -2.09100000E+000 +1.67470000E+004 /
PLOG /                           +1.00000000E+001 +2.56000000E+022 -3.17200000E+000 +1.99510000E+004 /
PLOG /                           +1.00000000E+002 +2.62000000E+025 -3.76300000E+000 +2.31650000E+004 /
CJVCCVO+C2H3=CVCCVCCVO                            +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H5-N+HCO=CVCCVCCVO                              +1.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CVCCVCCOJ=C4H5-N+CH2O                             +3.92000000E+028 -4.66100000E+000 +2.76430000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +6.06000000E+016 -2.10600000E+000 +2.04360000E+004 /
PLOG /                           +1.00000000E+000 +3.16000000E+017 -2.02600000E+000 +2.05880000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+022 -3.17600000E+000 +2.29930000E+004 /
PLOG /                           +1.00000000E+002 +3.92000000E+028 -4.66100000E+000 +2.76430000E+004 /
CVCC(OJ)CVC=C2H3CHO+C2H3                          +3.92000000E+028 -4.66100000E+000 +2.76430000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +6.06000000E+016 -2.10600000E+000 +2.04360000E+004 /
PLOG /                           +1.00000000E+000 +3.16000000E+017 -2.02600000E+000 +2.05880000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+022 -3.17600000E+000 +2.29930000E+004 /
PLOG /                           +1.00000000E+002 +3.92000000E+028 -4.66100000E+000 +2.76430000E+004 /
CVCCJCVC+O=CVCCVCCVO+H                            +6.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C5H91-3+O<=>NC53ONE-1+H                           +6.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: TSANG, W. J.PHYS.CHEM.REF.DATA 1991, 20, 221. !\Comment: WARNING 
C5H91-3+O<=>C2H3CHO+C2H5                          +6.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: TSANG, W. J.PHYS.CHEM.REF.DATA 1991, 20, 221. !\Comment: WARNING 
C5H92-4+O<=>NC52ONE-3+H                           +6.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: TSANG, W. J.PHYS.CHEM.REF.DATA 1991, 20, 221. !\Comment: WARNING 
C5H92-4+O<=>SC3H5CHO+CH3                          +6.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: TSANG, W. J.PHYS.CHEM.REF.DATA 1991, 20, 221. !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+OH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C5H91-3+OH=>NC53ONE-1+H+H                         +1.60000000E+020 -1.56000000E+000 +2.63300000E+004 !\Author: WARNING !\Ref: TSANG, W. J.PHYS.CHEM.REF.DATA 1991, 20, 221. !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +5.30000000E+037 -6.71000000E+000 +2.93060000E+004 /
PLOG /                           +1.00000000E+000 +4.20000000E+032 -5.16000000E+000 +3.01260000E+004 /
PLOG /                           +1.00000000E+001 +1.60000000E+020 -1.56000000E+000 +2.63300000E+004 /
C5H92-4+OH=>NC52ONE-3+H+H                         +1.60000000E+020 -1.56000000E+000 +2.63300000E+004 !\Author: WARNING !\Ref: TSANG, W. J.PHYS.CHEM.REF.DATA 1991, 20, 221. !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +5.30000000E+037 -6.71000000E+000 +2.93060000E+004 /
PLOG /                           +1.00000000E+000 +4.20000000E+032 -5.16000000E+000 +3.01260000E+004 /
PLOG /                           +1.00000000E+001 +1.60000000E+020 -1.56000000E+000 +2.63300000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: ALLYLIC_RADICAL+HO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C5H91-3+HO2<=>C5H91-3OOH                          +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.91000000E+031 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +6.31000000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +1.03000000E+045 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +2.79000000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 /
C5H91-3+HO2<=>C5H9O1-3+OH                         +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
C5H91-3+HO2<=>NC53ONE-1+H2O                       +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.09000000E+000 +3.01000000E+000 -3.42110000E+003 /
PLOG /                           +1.00000000E-001 +6.35000000E+001 +2.50000000E+000 -2.34140000E+003 /
PLOG /                           +1.00000000E+000 +6.05000000E+005 +1.39000000E+000 +5.95100000E+002 /
PLOG /                           +1.00000000E+001 +3.10000000E+005 +1.59000000E+000 +2.67760000E+003 /
PLOG /                           +1.00000000E+002 +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 /
C5H91-3OOH<=>C5H9O1-3+OH                          +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C5H91-3OOH<=>NC53ONE-1+H2O                        +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.99000000E+050 -1.27000000E+001 +5.35319000E+004 /
PLOG /                           +1.00000000E-001 +4.72000000E+047 -1.15000000E+001 +5.43609000E+004 /
PLOG /                           +1.00000000E+000 +1.50000000E+040 -8.84000000E+000 +5.31792000E+004 /
PLOG /                           +1.00000000E+001 +2.54000000E+028 -5.00000000E+000 +4.99194000E+004 /
PLOG /                           +1.00000000E+002 +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 /
C5H91-3+HO2<=>C5H92-1OOH                          +7.20000000E+031 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +9.55000000E+030 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +3.15500000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +5.15000000E+044 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +1.39500000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +7.20000000E+031 -6.01000000E+000 +6.05360000E+003 /
C5H91-3+HO2<=>C5H9O2-1+OH                         +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.10000000E+012 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +2.49000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +3.88500000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +1.46500000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 /
C5H91-3+HO2<=>C4H7CHO-2+H2O                       +2.53500000E-005 +4.59000000E+000 +9.27500000E+002 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.45000000E-001 +3.01000000E+000 -3.42110000E+003 /
PLOG /                           +1.00000000E-001 +3.17500000E+001 +2.50000000E+000 -2.34140000E+003 /
PLOG /                           +1.00000000E+000 +3.02500000E+005 +1.39000000E+000 +5.95100000E+002 /
PLOG /                           +1.00000000E+001 +1.55000000E+005 +1.59000000E+000 +2.67760000E+003 /
PLOG /                           +1.00000000E+002 +2.53500000E-005 +4.59000000E+000 +9.27500000E+002 /
C5H92-1OOH<=>C5H9O2-1+OH                          +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C5H92-1OOH<=>C4H7CHO-2+H2O                        +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.99000000E+050 -1.27000000E+001 +5.35319000E+004 /
PLOG /                           +1.00000000E-001 +4.72000000E+047 -1.15000000E+001 +5.43609000E+004 /
PLOG /                           +1.00000000E+000 +1.50000000E+040 -8.84000000E+000 +5.31792000E+004 /
PLOG /                           +1.00000000E+001 +2.54000000E+028 -5.00000000E+000 +4.99194000E+004 /
PLOG /                           +1.00000000E+002 +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 /
C5H92-4+HO2<=>C5H92-4OOH                          +2.88000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.82000000E+031 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +1.26000000E+043 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +2.06000000E+045 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +5.58000000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +2.88000000E+032 -6.01000000E+000 +6.05360000E+003 /
C5H92-4+HO2<=>C5H9O2-4+OH                         +3.28000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.04000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +9.96000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +1.55000000E+018 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +5.86000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +3.28000000E+004 +2.74000000E+000 +1.14440000E+003 /
C5H92-4+HO2<=>NC52ONE-3+H2O                       +1.01400000E-004 +4.59000000E+000 +9.27500000E+002 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.18000000E+000 +3.01000000E+000 -3.42110000E+003 /
PLOG /                           +1.00000000E-001 +1.27000000E+002 +2.50000000E+000 -2.34140000E+003 /
PLOG /                           +1.00000000E+000 +1.21000000E+006 +1.39000000E+000 +5.95100000E+002 /
PLOG /                           +1.00000000E+001 +6.20000000E+005 +1.59000000E+000 +2.67760000E+003 /
PLOG /                           +1.00000000E+002 +1.01400000E-004 +4.59000000E+000 +9.27500000E+002 /
C5H92-4OOH<=>C5H9O2-4+OH                          +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: SD !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C5H92-4OOH<=>NC52ONE-3+H2O                        +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 !\Author: SD !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.99000000E+050 -1.27000000E+001 +5.35319000E+004 /
PLOG /                           +1.00000000E-001 +4.72000000E+047 -1.15000000E+001 +5.43609000E+004 /
PLOG /                           +1.00000000E+000 +1.50000000E+040 -8.84000000E+000 +5.31792000E+004 /
PLOG /                           +1.00000000E+001 +2.54000000E+028 -5.00000000E+000 +4.99194000E+004 /
PLOG /                           +1.00000000E+002 +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: KHP_HOMOLYTIC_FISSION
!___________________________________________________________________________________________________________ 
C5H91-4OOH=>CH3CHO+C3H5-A+OH                      +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H91-4OOH=>SC3H5CHO+CH3+OH                       +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!DONG 0423!C5H91-5OOH=>CH2O+C4H71-4+OH                       +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H91-5OOH=>C5H91-5O+OH                           +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 

C5H92-5OOH=>CH2O+C4H71-3+OH                       +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H91-3OOH+O2<=>C5H91-3O2+HO2                     +9.00000000E+013 +0.00000000E+000 +4.02000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H92-1OOH+O2<=>C5H92-1O2+HO2                     +9.00000000E+013 +0.00000000E+000 +4.02000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H92-4OOH+O2<=>C5H92-4O2+HO2                     +9.00000000E+013 +0.00000000E+000 +4.02000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!
!DONG 0423
CH2O+C4H71-4<=>C5H91-5O                           +5.00000000E+010 +0.00000000E+000 +3.45700000E+003 !\Author: SD !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C5H9O1-3<=>C2H3CHO+C2H5                           +5.51000000E+022 -2.76000000E+000 +1.39800000E+004 !\Author: WARNING !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 
C5H9O1-3<=>C2H5CHO+C2H3                           +8.52000000E+025 -3.61000000E+000 +2.38634000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325-3346 !\Comment: WARNING 
C5H9O2-1<=>CH2O+C4H71-1                           +8.52000000E+025 -3.61000000E+000 +2.78634000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325-3346 !\Comment: WARNING 
C5H9O2-1<=>C4H7CHO-2+H                            +2.57000000E+020 -2.06000000E+000 +2.20401000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325-3346 !\Comment: WARNING 
C5H9O2-4<=>SC3H5CHO+CH3                           +4.38000000E+016 -8.90000000E-001 +1.65300000E+004 !\Author: WARNING !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 
C5H9O2-4<=>CH3CHO+C3H5-S                          +8.52000000E+025 -3.61000000E+000 +2.38634000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325-3346 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: VINYLREACTIONPATHWAYSR+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C5H91-1+O2<=>HCO+NC3H7CHO                         +1.32000000E+021 -2.49000000E+000 +8.43900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.03000000E+018 -1.90000000E+000 +2.18700000E+003 /
PLOG /                           +1.00000000E-001 +3.05000000E+018 -1.90000000E+000 +2.18600000E+003 /
PLOG /                           +1.00000000E+000 +1.50000000E+019 -2.10000000E+000 +2.71200000E+003 /
PLOG /                           +1.00000000E+001 +1.49000000E+022 -2.90000000E+000 +5.75200000E+003 /
PLOG /                           +1.00000000E+002 +1.32000000E+021 -2.49000000E+000 +8.43900000E+003 /
C5H91-1+O2=>H+CO+NC3H7CHO                         +3.08000000E+021 -2.49000000E+000 +8.43900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +7.06000000E+018 -1.90000000E+000 +2.18700000E+003 /
PLOG /                           +1.00000000E-001 +7.11000000E+018 -1.90000000E+000 +2.18600000E+003 /
PLOG /                           +1.00000000E+000 +3.50000000E+019 -2.10000000E+000 +2.71200000E+003 /
PLOG /                           +1.00000000E+001 +3.47000000E+022 -2.90000000E+000 +5.75200000E+003 /
PLOG /                           +1.00000000E+002 +3.08000000E+021 -2.49000000E+000 +8.43900000E+003 /
C5H91-1+O2<=>PC4H8CHO-1+O                         +9.28000000E+025 -3.80000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +7.16000000E+020 -2.67000000E+000 +6.74200000E+003 /
PLOG /                           +1.00000000E-002 +1.24000000E+010 +6.20000000E-001 -2.77600000E+002 /
PLOG /                           +1.00000000E-001 +7.02000000E+020 -2.67000000E+000 +6.71300000E+003 /
PLOG /                           +1.00000000E-001 +1.29000000E+010 +6.20000000E-001 -2.47700000E+002 /
PLOG /                           +3.16000000E-001 +8.97000000E+020 -2.70000000E+000 +6.72400000E+003 /
PLOG /                           +3.16000000E-001 +1.51000000E+010 +6.00000000E-001 -1.62500000E+002 /
PLOG /                           +1.00000000E+000 +6.45000000E+020 -2.65000000E+000 +6.48900000E+003 /
PLOG /                           +1.00000000E+000 +1.84000000E+010 +5.80000000E-001 +3.84000000E+001 /
PLOG /                           +3.16000000E+000 +4.09000000E+020 -2.53000000E+000 +6.40600000E+003 /
PLOG /                           +3.16000000E+000 +8.86000000E+009 +6.70000000E-001 +2.48000000E+002 /
PLOG /                           +1.00000000E+001 +1.60000000E+023 -3.22000000E+000 +8.69700000E+003 /
PLOG /                           +1.00000000E+001 +6.67000000E+009 +7.20000000E-001 +7.78100000E+002 /
PLOG /                           +3.16000000E+001 +2.85000000E+025 -3.77000000E+000 +1.15300000E+004 /
PLOG /                           +3.16000000E+001 +1.43000000E+009 +9.20000000E-001 +1.21900000E+003 /
PLOG /                           +1.00000000E+002 +9.28000000E+025 -3.80000000E+000 +1.39100000E+004 /
PLOG /                           +1.00000000E+002 +7.14000000E+007 +1.28000000E+000 +1.40100000E+003 /
C5H91-1+O2<=>C5H91-1O2                            +3.41000000E+039 -8.04000000E+000 +1.43600000E+004 !\Author: SD !\Ref: C. FRANKLIN GOLDSMITH C2H3+O2 J. PHYS. CHEM. A !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.55000000E+024 -5.45000000E+000 +9.66200000E+003 /
PLOG /                           +1.00000000E-002 +1.78000000E-009 +4.15000000E+000 -4.70700000E+003 /
PLOG /                           +1.00000000E-001 +3.48000000E+056 -1.50100000E+001 +1.91600000E+004 /
PLOG /                           +1.00000000E-001 +2.36000000E+022 -4.52000000E+000 +2.83900000E+003 /
PLOG /                           +3.16000000E-001 +1.25000000E+064 -1.69700000E+001 +2.12900000E+004 /
PLOG /                           +3.16000000E-001 +2.00000000E+026 -5.43000000E+000 +2.72500000E+003 /
PLOG /                           +1.00000000E+000 +3.34000000E+061 -1.57900000E+001 +2.01500000E+004 /
PLOG /                           +1.00000000E+000 +6.13000000E+028 -5.89000000E+000 +3.15400000E+003 /
PLOG /                           +3.16000000E+000 +7.34000000E+053 -1.31100000E+001 +1.73000000E+004 /
PLOG /                           +3.16000000E+000 +2.14000000E+029 -5.80000000E+000 +3.52000000E+003 /
PLOG /                           +1.00000000E+001 +4.16000000E+048 -1.12100000E+001 +1.60000000E+004 /
PLOG /                           +1.00000000E+001 +3.48000000E+028 -5.37000000E+000 +3.63600000E+003 /
PLOG /                           +3.16000000E+001 +2.33000000E+043 -9.38000000E+000 +1.48100000E+004 /
PLOG /                           +3.16000000E+001 +3.32000000E+027 -4.95000000E+000 +3.61000000E+003 /
PLOG /                           +1.00000000E+002 +3.41000000E+039 -8.04000000E+000 +1.43600000E+004 /
PLOG /                           +1.00000000E+002 +1.03000000E+027 -4.72000000E+000 +3.68000000E+003 /
C5H91-1O2<=>NC3H7CHO+HCO                          +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.66000000E+174 -5.55200000E+001 +6.03200000E+004 /
PLOG /                           +1.00000000E-002 +2.27000000E+035 -7.97000000E+000 +3.12800000E+004 /
PLOG /                           +1.00000000E-001 +9.03000000E+066 -1.72500000E+001 +4.81200000E+004 /
PLOG /                           +1.00000000E-001 +2.08000000E+026 -4.96000000E+000 +2.87800000E+004 /
PLOG /                           +3.16000000E-001 +1.82000000E+043 -9.87000000E+000 +3.79600000E+004 /
PLOG /                           +3.16000000E-001 +1.45000000E+020 -3.08000000E+000 +2.66300000E+004 /
PLOG /                           +1.00000000E+000 +8.64000000E+033 -6.88000000E+000 +3.43700000E+004 /
PLOG /                           +1.00000000E+000 +1.06000000E+130 -3.93800000E+001 +5.47000000E+004 /
PLOG /                           +3.16000000E+000 +7.29000000E+171 -4.35300000E+001 +1.91900000E+005 /
PLOG /                           +3.16000000E+000 +2.35000000E+034 -6.87000000E+000 +3.57000000E+004 /
PLOG /                           +1.00000000E+001 +1.03000000E+032 -6.06000000E+000 +3.55000000E+004 /
PLOG /                           +1.00000000E+001 +2.18000000E+175 -5.37800000E+001 +6.85000000E+004 /
PLOG /                           +3.16000000E+001 +1.85000000E+034 -6.57000000E+000 +3.85100000E+004 /
PLOG /                           +3.16000000E+001 +1.07000000E+185 -5.42200000E+001 +8.89900000E+004 /
PLOG /                           +1.00000000E+002 +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+002 +4.68000000E+002 +1.81000000E+000 +1.81000000E+004 /
C5H91-1O2=>NC3H7CHO+H+CO                          +1.33000000E+030 -5.19000000E+000 +3.68000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.88000000E+174 -5.55200000E+001 +6.03200000E+004 /
PLOG /                           +1.00000000E-002 +5.29000000E+035 -7.97000000E+000 +3.12800000E+004 /
PLOG /                           +1.00000000E-001 +2.11000000E+067 -1.72500000E+001 +4.81200000E+004 /
PLOG /                           +1.00000000E-001 +4.85000000E+026 -4.96000000E+000 +2.87800000E+004 /
PLOG /                           +3.16000000E-001 +4.26000000E+043 -9.87000000E+000 +3.79600000E+004 /
PLOG /                           +3.16000000E-001 +3.37000000E+020 -3.08000000E+000 +2.66300000E+004 /
PLOG /                           +1.00000000E+000 +2.02000000E+034 -6.88000000E+000 +3.43700000E+004 /
PLOG /                           +1.00000000E+000 +2.46000000E+130 -3.93800000E+001 +5.47000000E+004 /
PLOG /                           +3.16000000E+000 +1.70000000E+172 -4.35300000E+001 +1.91900000E+005 /
PLOG /                           +3.16000000E+000 +5.49000000E+034 -6.87000000E+000 +3.57000000E+004 /
PLOG /                           +1.00000000E+001 +2.40000000E+032 -6.06000000E+000 +3.55000000E+004 /
PLOG /                           +1.00000000E+001 +5.09000000E+175 -5.37800000E+001 +6.85000000E+004 /
PLOG /                           +3.16000000E+001 +4.32000000E+034 -6.57000000E+000 +3.85100000E+004 /
PLOG /                           +3.16000000E+001 +2.49000000E+185 -5.42200000E+001 +8.89900000E+004 /
PLOG /                           +1.00000000E+002 +1.33000000E+030 -5.19000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+002 +1.09000000E+003 +1.81000000E+000 +1.81000000E+004 /
C5H91-1O2<=>PC4H8CHO-1+O                          +4.30000000E+048 -1.03100000E+001 +5.60900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.70000000E+180 -4.81900000E+001 +1.69300000E+005 /
PLOG /                           +1.00000000E-002 +1.47000000E+030 -6.64000000E+000 +4.11100000E+004 /
PLOG /                           +1.00000000E-001 +3.90000000E+038 -8.69000000E+000 +4.27700000E+004 /
PLOG /                           +1.00000000E-001 +9.65000000E-012 +5.96000000E+000 +2.28900000E+004 /
PLOG /                           +3.16000000E-001 +4.57000000E+047 -1.12100000E+001 +4.70500000E+004 /
PLOG /                           +3.16000000E-001 +3.95000000E+022 -3.71000000E+000 +3.62700000E+004 /
PLOG /                           +1.00000000E+000 +7.62000000E+081 -2.12800000E+001 +6.50800000E+004 /
PLOG /                           +1.00000000E+000 +2.39000000E+033 -6.62000000E+000 +4.12800000E+004 /
PLOG /                           +3.16000000E+000 +1.86000000E+068 -1.68300000E+001 +6.06800000E+004 /
PLOG /                           +3.16000000E+000 +6.37000000E+031 -5.96000000E+000 +4.12600000E+004 /
PLOG /                           +1.00000000E+001 +2.02000000E+055 -1.26900000E+001 +5.58400000E+004 /
PLOG /                           +1.00000000E+001 +2.13000000E+029 -5.10000000E+000 +4.07100000E+004 /
PLOG /                           +3.16000000E+001 +1.11000000E+053 -1.17900000E+001 +5.66900000E+004 /
PLOG /                           +3.16000000E+001 +4.66000000E+027 -4.50000000E+000 +4.05300000E+004 /
PLOG /                           +1.00000000E+002 +4.30000000E+048 -1.03100000E+001 +5.60900000E+004 /
PLOG /                           +1.00000000E+002 +5.99000000E+025 -3.85000000E+000 +4.01200000E+004 /
C5H91-2+O2<=>CH2O+NC3H7CO                         +9.27000000E+021 -2.74000000E+000 +9.36400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.13000000E+020 -2.57000000E+000 +2.36600000E+003 /
PLOG /                           +1.00000000E-001 +5.55000000E+020 -2.61000000E+000 +2.45800000E+003 /
PLOG /                           +3.16000000E-001 +2.55000000E+021 -2.79000000E+000 +2.97400000E+003 /
PLOG /                           +1.00000000E+000 +9.03000000E+022 -3.21000000E+000 +4.29600000E+003 /
PLOG /                           +3.16000000E+000 +7.37000000E+024 -3.73000000E+000 +6.25900000E+003 /
PLOG /                           +1.00000000E+001 +1.36000000E+025 -3.76000000E+000 +7.61400000E+003 /
PLOG /                           +3.16000000E+001 +9.70000000E+024 -3.66000000E+000 +9.23200000E+003 /
PLOG /                           +1.00000000E+002 +9.27000000E+021 -2.74000000E+000 +9.36400000E+003 /
C5H91-2+O2<=>C5H91-2O2                            +4.64000000E+030 -5.51000000E+000 +7.33000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.83000000E+031 -7.74000000E+000 +5.06100000E+003 /
PLOG /                           +1.00000000E-001 +7.42000000E+039 -9.66000000E+000 +6.05200000E+003 /
PLOG /                           +3.16000000E-001 +1.97000000E+042 -1.00500000E+001 +7.46300000E+003 /
PLOG /                           +1.00000000E+000 +5.52000000E+042 -9.87000000E+000 +8.63300000E+003 /
PLOG /                           +3.16000000E+000 +3.27000000E+041 -9.24000000E+000 +9.29700000E+003 /
PLOG /                           +1.00000000E+001 +1.07000000E+039 -8.28000000E+000 +9.36200000E+003 /
PLOG /                           +3.16000000E+001 +8.38000000E+034 -6.89000000E+000 +8.49900000E+003 /
PLOG /                           +1.00000000E+002 +4.64000000E+030 -5.51000000E+000 +7.33000000E+003 /
C5H91-2O2<=>CH2O+NC3H7CO                          +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.66000000E+174 -5.55200000E+001 +6.03200000E+004 /
PLOG /                           +1.00000000E-002 +2.27000000E+035 -7.97000000E+000 +3.12800000E+004 /
PLOG /                           +1.00000000E-001 +9.03000000E+066 -1.72500000E+001 +4.81200000E+004 /
PLOG /                           +1.00000000E-001 +2.08000000E+026 -4.96000000E+000 +2.87800000E+004 /
PLOG /                           +3.16000000E-001 +1.82000000E+043 -9.87000000E+000 +3.79600000E+004 /
PLOG /                           +3.16000000E-001 +1.45000000E+020 -3.08000000E+000 +2.66300000E+004 /
PLOG /                           +1.00000000E+000 +8.64000000E+033 -6.88000000E+000 +3.43700000E+004 /
PLOG /                           +1.00000000E+000 +1.06000000E+130 -3.93800000E+001 +5.47000000E+004 /
PLOG /                           +3.16000000E+000 +7.29000000E+171 -4.35300000E+001 +1.91900000E+005 /
PLOG /                           +3.16000000E+000 +2.35000000E+034 -6.87000000E+000 +3.57000000E+004 /
PLOG /                           +1.00000000E+001 +1.03000000E+032 -6.06000000E+000 +3.55000000E+004 /
PLOG /                           +1.00000000E+001 +2.18000000E+175 -5.37800000E+001 +6.85000000E+004 /
PLOG /                           +3.16000000E+001 +1.85000000E+034 -6.57000000E+000 +3.85100000E+004 /
PLOG /                           +3.16000000E+001 +1.07000000E+185 -5.42200000E+001 +8.89900000E+004 /
PLOG /                           +1.00000000E+002 +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+002 +4.68000000E+002 +1.81000000E+000 +1.81000000E+004 /
C5H92-2+O2<=>C5H92-2O2                            +4.64000000E+030 -5.51000000E+000 +7.33000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.83000000E+031 -7.74000000E+000 +5.06100000E+003 /
PLOG /                           +1.00000000E-001 +7.42000000E+039 -9.66000000E+000 +6.05200000E+003 /
PLOG /                           +3.16000000E-001 +1.97000000E+042 -1.00500000E+001 +7.46300000E+003 /
PLOG /                           +1.00000000E+000 +5.52000000E+042 -9.87000000E+000 +8.63300000E+003 /
PLOG /                           +3.16000000E+000 +3.27000000E+041 -9.24000000E+000 +9.29700000E+003 /
PLOG /                           +1.00000000E+001 +1.07000000E+039 -8.28000000E+000 +9.36200000E+003 /
PLOG /                           +3.16000000E+001 +8.38000000E+034 -6.89000000E+000 +8.49900000E+003 /
PLOG /                           +1.00000000E+002 +4.64000000E+030 -5.51000000E+000 +7.33000000E+003 /
C5H92-2+O2=>C2H3COCH3+CH3+O                       +9.00000000E+015 -1.11000000E+000 +1.04300000E+004 !\Author: SD !\Ref: ANALOGY FROM CHEN&GOLDSMITH, JPCA, 2017, 121(48),9173-9184 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+011 +6.00000000E-002 +2.25800000E+003 /
PLOG /                           +1.00000000E-001 +3.09000000E+011 -3.00000000E-002 +2.51700000E+003 /
PLOG /                           +3.16000000E-001 +1.35000000E+012 -2.10000000E-001 +3.04300000E+003 /
PLOG /                           +1.00000000E+000 +2.91000000E+013 -5.70000000E-001 +4.18200000E+003 /
PLOG /                           +3.16000000E+000 +2.51000000E+015 -1.10000000E+000 +5.99600000E+003 /
PLOG /                           +1.00000000E+001 +1.49000000E+017 -1.57000000E+000 +8.09600000E+003 /
PLOG /                           +3.16000000E+001 +4.62000000E+017 -1.65000000E+000 +9.78700000E+003 /
PLOG /                           +1.00000000E+002 +9.00000000E+015 -1.11000000E+000 +1.04300000E+004 /
C5H92-2+O2<=>CH3CO+C2H5CHO                        +9.27000000E+021 -2.74000000E+000 +9.36400000E+003 !\Author: SD !\Ref: ANALOGY FROM CHEN&GOLDSMITH, JPCA, 2017, 121(48),9173-9184 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.13000000E+020 -2.57000000E+000 +2.36600000E+003 /
PLOG /                           +1.00000000E-001 +5.55000000E+020 -2.61000000E+000 +2.45800000E+003 /
PLOG /                           +3.16000000E-001 +2.55000000E+021 -2.79000000E+000 +2.97400000E+003 /
PLOG /                           +1.00000000E+000 +9.03000000E+022 -3.21000000E+000 +4.29600000E+003 /
PLOG /                           +3.16000000E+000 +7.37000000E+024 -3.73000000E+000 +6.25900000E+003 /
PLOG /                           +1.00000000E+001 +1.36000000E+025 -3.76000000E+000 +7.61400000E+003 /
PLOG /                           +3.16000000E+001 +9.70000000E+024 -3.66000000E+000 +9.23200000E+003 /
PLOG /                           +1.00000000E+002 +9.27000000E+021 -2.74000000E+000 +9.36400000E+003 /
C5H92-2O2=>C2H3COCH3+CH3+O                        +4.30000000E+048 -1.03100000E+001 +5.60900000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H3OO<=>CH2CHO+O GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.70000000E+180 -4.81900000E+001 +1.69300000E+005 /
PLOG /                           +1.00000000E-002 +1.47000000E+030 -6.64000000E+000 +4.11100000E+004 /
PLOG /                           +1.00000000E-001 +3.90000000E+038 -8.69000000E+000 +4.27700000E+004 /
PLOG /                           +1.00000000E-001 +9.65000000E-012 +5.96000000E+000 +2.28900000E+004 /
PLOG /                           +3.16000000E-001 +4.57000000E+047 -1.12100000E+001 +4.70500000E+004 /
PLOG /                           +3.16000000E-001 +3.95000000E+022 -3.71000000E+000 +3.62700000E+004 /
PLOG /                           +1.00000000E+000 +7.62000000E+081 -2.12800000E+001 +6.50800000E+004 /
PLOG /                           +1.00000000E+000 +2.39000000E+033 -6.62000000E+000 +4.12800000E+004 /
PLOG /                           +3.16000000E+000 +1.86000000E+068 -1.68300000E+001 +6.06800000E+004 /
PLOG /                           +3.16000000E+000 +6.37000000E+031 -5.96000000E+000 +4.12600000E+004 /
PLOG /                           +1.00000000E+001 +2.02000000E+055 -1.26900000E+001 +5.58400000E+004 /
PLOG /                           +1.00000000E+001 +2.13000000E+029 -5.10000000E+000 +4.07100000E+004 /
PLOG /                           +3.16000000E+001 +1.11000000E+053 -1.17900000E+001 +5.66900000E+004 /
PLOG /                           +3.16000000E+001 +4.66000000E+027 -4.50000000E+000 +4.05300000E+004 /
PLOG /                           +1.00000000E+002 +4.30000000E+048 -1.03100000E+001 +5.60900000E+004 /
PLOG /                           +1.00000000E+002 +5.99000000E+025 -3.85000000E+000 +4.01200000E+004 /
C5H92-2O2<=>CH3CO+C2H5CHO                         +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H3OO<=>CH2O+HCO GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.66000000E+174 -5.55200000E+001 +6.03200000E+004 /
PLOG /                           +1.00000000E-002 +2.27000000E+035 -7.97000000E+000 +3.12800000E+004 /
PLOG /                           +1.00000000E-001 +9.03000000E+066 -1.72500000E+001 +4.81200000E+004 /
PLOG /                           +1.00000000E-001 +2.08000000E+026 -4.96000000E+000 +2.87800000E+004 /
PLOG /                           +3.16000000E-001 +1.82000000E+043 -9.87000000E+000 +3.79600000E+004 /
PLOG /                           +3.16000000E-001 +1.45000000E+020 -3.08000000E+000 +2.66300000E+004 /
PLOG /                           +1.00000000E+000 +8.64000000E+033 -6.88000000E+000 +3.43700000E+004 /
PLOG /                           +1.00000000E+000 +1.06000000E+130 -3.93800000E+001 +5.47000000E+004 /
PLOG /                           +3.16000000E+000 +7.29000000E+171 -4.35300000E+001 +1.91900000E+005 /
PLOG /                           +3.16000000E+000 +2.35000000E+034 -6.87000000E+000 +3.57000000E+004 /
PLOG /                           +1.00000000E+001 +1.03000000E+032 -6.06000000E+000 +3.55000000E+004 /
PLOG /                           +1.00000000E+001 +2.18000000E+175 -5.37800000E+001 +6.85000000E+004 /
PLOG /                           +3.16000000E+001 +1.85000000E+034 -6.57000000E+000 +3.85100000E+004 /
PLOG /                           +3.16000000E+001 +1.07000000E+185 -5.42200000E+001 +8.89900000E+004 /
PLOG /                           +1.00000000E+002 +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+002 +4.68000000E+002 +1.81000000E+000 +1.81000000E+004 /
C5H92-2O2=>CH3+CO+C2H5CHO                         +1.33000000E+030 -5.19000000E+000 +3.68000000E+004 !\Author: WARNING !\Ref: C2H3OO=>CH2O+H+CO GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.88000000E+174 -5.55200000E+001 +6.03200000E+004 /
PLOG /                           +1.00000000E-002 +5.29000000E+035 -7.97000000E+000 +3.12800000E+004 /
PLOG /                           +1.00000000E-001 +2.11000000E+067 -1.72500000E+001 +4.81200000E+004 /
PLOG /                           +1.00000000E-001 +4.85000000E+026 -4.96000000E+000 +2.87800000E+004 /
PLOG /                           +3.16000000E-001 +4.26000000E+043 -9.87000000E+000 +3.79600000E+004 /
PLOG /                           +3.16000000E-001 +3.37000000E+020 -3.08000000E+000 +2.66300000E+004 /
PLOG /                           +1.00000000E+000 +2.02000000E+034 -6.88000000E+000 +3.43700000E+004 /
PLOG /                           +1.00000000E+000 +2.46000000E+130 -3.93800000E+001 +5.47000000E+004 /
PLOG /                           +3.16000000E+000 +1.70000000E+172 -4.35300000E+001 +1.91900000E+005 /
PLOG /                           +3.16000000E+000 +5.49000000E+034 -6.87000000E+000 +3.57000000E+004 /
PLOG /                           +1.00000000E+001 +2.40000000E+032 -6.06000000E+000 +3.55000000E+004 /
PLOG /                           +1.00000000E+001 +5.09000000E+175 -5.37800000E+001 +6.85000000E+004 /
PLOG /                           +3.16000000E+001 +4.32000000E+034 -6.57000000E+000 +3.85100000E+004 /
PLOG /                           +3.16000000E+001 +2.49000000E+185 -5.42200000E+001 +8.89900000E+004 /
PLOG /                           +1.00000000E+002 +1.33000000E+030 -5.19000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+002 +1.09000000E+003 +1.81000000E+000 +1.81000000E+004 /
C5H92-3+O2<=>C5H92-3O2                            +4.64000000E+030 -5.51000000E+000 +7.33000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.83000000E+031 -7.74000000E+000 +5.06100000E+003 /
PLOG /                           +1.00000000E-001 +7.42000000E+039 -9.66000000E+000 +6.05200000E+003 /
PLOG /                           +3.16000000E-001 +1.97000000E+042 -1.00500000E+001 +7.46300000E+003 /
PLOG /                           +1.00000000E+000 +5.52000000E+042 -9.87000000E+000 +8.63300000E+003 /
PLOG /                           +3.16000000E+000 +3.27000000E+041 -9.24000000E+000 +9.29700000E+003 /
PLOG /                           +1.00000000E+001 +1.07000000E+039 -8.28000000E+000 +9.36200000E+003 /
PLOG /                           +3.16000000E+001 +8.38000000E+034 -6.89000000E+000 +8.49900000E+003 /
PLOG /                           +1.00000000E+002 +4.64000000E+030 -5.51000000E+000 +7.33000000E+003 /
C5H92-3+O2=>CH3CHCO+C2H5+O                        +9.00000000E+015 -1.11000000E+000 +1.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+011 +6.00000000E-002 +2.25800000E+003 /
PLOG /                           +1.00000000E-001 +3.09000000E+011 -3.00000000E-002 +2.51700000E+003 /
PLOG /                           +3.16000000E-001 +1.35000000E+012 -2.10000000E-001 +3.04300000E+003 /
PLOG /                           +1.00000000E+000 +2.91000000E+013 -5.70000000E-001 +4.18200000E+003 /
PLOG /                           +3.16000000E+000 +2.51000000E+015 -1.10000000E+000 +5.99600000E+003 /
PLOG /                           +1.00000000E+001 +1.49000000E+017 -1.57000000E+000 +8.09600000E+003 /
PLOG /                           +3.16000000E+001 +4.62000000E+017 -1.65000000E+000 +9.78700000E+003 /
PLOG /                           +1.00000000E+002 +9.00000000E+015 -1.11000000E+000 +1.04300000E+004 /
C5H92-3+O2<=>CH3CHO+C2H5CO                        +9.27000000E+021 -2.74000000E+000 +9.36400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.13000000E+020 -2.57000000E+000 +2.36600000E+003 /
PLOG /                           +1.00000000E-001 +5.55000000E+020 -2.61000000E+000 +2.45800000E+003 /
PLOG /                           +3.16000000E-001 +2.55000000E+021 -2.79000000E+000 +2.97400000E+003 /
PLOG /                           +1.00000000E+000 +9.03000000E+022 -3.21000000E+000 +4.29600000E+003 /
PLOG /                           +3.16000000E+000 +7.37000000E+024 -3.73000000E+000 +6.25900000E+003 /
PLOG /                           +1.00000000E+001 +1.36000000E+025 -3.76000000E+000 +7.61400000E+003 /
PLOG /                           +3.16000000E+001 +9.70000000E+024 -3.66000000E+000 +9.23200000E+003 /
PLOG /                           +1.00000000E+002 +9.27000000E+021 -2.74000000E+000 +9.36400000E+003 /
C5H92-3O2=>CH3CHCO+C2H5+O                         +4.30000000E+048 -1.03100000E+001 +5.60900000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H3OO<=>CH2CHO+O !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.70000000E+180 -4.81900000E+001 +1.69300000E+005 /
PLOG /                           +1.00000000E-002 +1.47000000E+030 -6.64000000E+000 +4.11100000E+004 /
PLOG /                           +1.00000000E-001 +3.90000000E+038 -8.69000000E+000 +4.27700000E+004 /
PLOG /                           +1.00000000E-001 +9.65000000E-012 +5.96000000E+000 +2.28900000E+004 /
PLOG /                           +3.16000000E-001 +4.57000000E+047 -1.12100000E+001 +4.70500000E+004 /
PLOG /                           +3.16000000E-001 +3.95000000E+022 -3.71000000E+000 +3.62700000E+004 /
PLOG /                           +1.00000000E+000 +7.62000000E+081 -2.12800000E+001 +6.50800000E+004 /
PLOG /                           +1.00000000E+000 +2.39000000E+033 -6.62000000E+000 +4.12800000E+004 /
PLOG /                           +3.16000000E+000 +1.86000000E+068 -1.68300000E+001 +6.06800000E+004 /
PLOG /                           +3.16000000E+000 +6.37000000E+031 -5.96000000E+000 +4.12600000E+004 /
PLOG /                           +1.00000000E+001 +2.02000000E+055 -1.26900000E+001 +5.58400000E+004 /
PLOG /                           +1.00000000E+001 +2.13000000E+029 -5.10000000E+000 +4.07100000E+004 /
PLOG /                           +3.16000000E+001 +1.11000000E+053 -1.17900000E+001 +5.66900000E+004 /
PLOG /                           +3.16000000E+001 +4.66000000E+027 -4.50000000E+000 +4.05300000E+004 /
PLOG /                           +1.00000000E+002 +4.30000000E+048 -1.03100000E+001 +5.60900000E+004 /
PLOG /                           +1.00000000E+002 +5.99000000E+025 -3.85000000E+000 +4.01200000E+004 /
C5H92-3O2<=>CH3CHO+C2H5CO                         +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 !\Author: WARNING !\Ref: ANALOGY TO C2H3OO<=>CH2O+HCO !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.66000000E+174 -5.55200000E+001 +6.03200000E+004 /
PLOG /                           +1.00000000E-002 +2.27000000E+035 -7.97000000E+000 +3.12800000E+004 /
PLOG /                           +1.00000000E-001 +9.03000000E+066 -1.72500000E+001 +4.81200000E+004 /
PLOG /                           +1.00000000E-001 +2.08000000E+026 -4.96000000E+000 +2.87800000E+004 /
PLOG /                           +3.16000000E-001 +1.82000000E+043 -9.87000000E+000 +3.79600000E+004 /
PLOG /                           +3.16000000E-001 +1.45000000E+020 -3.08000000E+000 +2.66300000E+004 /
PLOG /                           +1.00000000E+000 +8.64000000E+033 -6.88000000E+000 +3.43700000E+004 /
PLOG /                           +1.00000000E+000 +1.06000000E+130 -3.93800000E+001 +5.47000000E+004 /
PLOG /                           +3.16000000E+000 +7.29000000E+171 -4.35300000E+001 +1.91900000E+005 /
PLOG /                           +3.16000000E+000 +2.35000000E+034 -6.87000000E+000 +3.57000000E+004 /
PLOG /                           +1.00000000E+001 +1.03000000E+032 -6.06000000E+000 +3.55000000E+004 /
PLOG /                           +1.00000000E+001 +2.18000000E+175 -5.37800000E+001 +6.85000000E+004 /
PLOG /                           +3.16000000E+001 +1.85000000E+034 -6.57000000E+000 +3.85100000E+004 /
PLOG /                           +3.16000000E+001 +1.07000000E+185 -5.42200000E+001 +8.89900000E+004 /
PLOG /                           +1.00000000E+002 +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+002 +4.68000000E+002 +1.81000000E+000 +1.81000000E+004 /
C5H92-3O2=>CH3CHO+C2H5+CO                         +1.33000000E+030 -5.19000000E+000 +3.68000000E+004 !\Author: WARNING !\Ref: C2H3OO=>CH2O+H+CO GOLDSMITH ET AL, J. PHYS. CHEM. A 2015, 119, 7766-7779 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.88000000E+174 -5.55200000E+001 +6.03200000E+004 /
PLOG /                           +1.00000000E-002 +5.29000000E+035 -7.97000000E+000 +3.12800000E+004 /
PLOG /                           +1.00000000E-001 +2.11000000E+067 -1.72500000E+001 +4.81200000E+004 /
PLOG /                           +1.00000000E-001 +4.85000000E+026 -4.96000000E+000 +2.87800000E+004 /
PLOG /                           +3.16000000E-001 +4.26000000E+043 -9.87000000E+000 +3.79600000E+004 /
PLOG /                           +3.16000000E-001 +3.37000000E+020 -3.08000000E+000 +2.66300000E+004 /
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!DONG 0423!C5H91-3O2<=>C5H91OO2-3                            +2.51000000E-006 +5.27000000E+000 +1.82300000E+004 !\Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
C5H91-3O2<=>C5H91OO2-3                            +2.8890E+27	-4.81	3.1835E+04  !REFIT, RATE AT HIGH TEMPERAITRE BELOW 1.0E14 \AUTHOR: SD !\REF: Sun, Xiaohui, et al. Physical Chemistry Chemical Physics 21.20 (2019): 10693-10705.

C5H91-3O2<=>C5H81OOH3-1                           +1.68000000E+006 +1.74000000E+000 +2.81300000E+004 !\Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
C5H91-3O2<=>C5H81OOH3-4                           +7.76000000E-005 +4.56500000E+000 +2.24000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C5H91-3O2<=>C5H81OOH3-5                           +1.74000000E+003 +2.24500000E+000 +1.85000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C5H91-3O2<=>C5H81-3+HO2                           +5.48000000E+008 +9.86000000E-001 +2.34000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
!DONG 0423!C5H91-4O2<=>C5H92OO1-4                            +9.16000000E+000 +3.00000000E+000 +1.05100000E+004 !\Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
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C5H91-4O2<=>C5H91OO2-4                            +9.85000000E-004 +4.32000000E+000 +8.66000000E+003 !\Author: SD !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
C5H91-4O2<=>C5H81OOH4-1                           +1.18000000E-014 +7.18000000E+000 +4.41500000E+004 !\Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
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C5H91-4O2<=>C5H81OOH4-5                           +1.45900000E+009 +1.10000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H91-4O2<=>C5H81-3+HO2                           +1.50000000E+007 +1.80000000E+000 +2.53400000E+004 !\Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
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C5H91-5O2<=>C5H81OOH5-2                           +2.16000000E+005 +1.86000000E+000 +2.33800000E+004 !\Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
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C5H92-1O2<=>C5H82OOH1-3                           +3.28000000E+005 +1.97000000E+000 +2.48400000E+004 !\Author: SD !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
C5H92-1O2<=>C5H82OOH1-4                           +1.84000000E-002 +3.50000000E+000 +1.14000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C5H92-1O2<=>C5H81-2+HO2                           +6.24000000E+005 +2.21000000E+000 +3.88400000E+004 !\Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
!DONG 0423!C5H92-4O2<=>C5H93OO2-4                            +1.09000000E-020 +9.47000000E+000 +1.30500000E+004 !\Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
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!DONG 0423!C5H92-4O2<=>C5H92OO3-4                            +3.07500000E-002 +4.19000000E+000 +2.13600000E+004 !\Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
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C5H92-4O2<=>C5H81OOH4-3                           +5.52000000E-002 +3.49600000E+000 +1.34000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
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C5H92-5O2<=>C5H81-3+HO2                           +3.36000000E+005 +2.00000000E+000 +2.52000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
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C5H81OOH5-3<=>C5H81O3-5+OH                        +5.16000000E+009 +2.67000000E-001 +2.47000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C5H81OOH5-4<=>C5H81O4-5+OH                        +3.55000000E+012 +0.00000000E+000 +1.07147300E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H82OOH4-2<=>C5H82O2-4+OH                        +4.49000000E+009 +8.00000000E-001 +1.55000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
!
!DONG 0605!C5H82OOH1-4<=>C5H82O4-5+OH                        +3.77000000E+010 +5.54000000E-001 +1.45000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C5H82OOH1-4<=>C5H82O4-5+OH                        +1.71000000E+016 -1.21800000E+000 +2.79000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
!
C5H82OOH5-3<=>C5H82O3-5+OH                        +3.80000000E+009 +4.43000000E-001 +4.97000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C5H81O2-4+OH=>H2O+C3H4-A+CH3CO                    +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H81O3-4+OH=>H2O+C2H3+CH3CHCO                    +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H81O3-5+OH=>H2O+C2H4+C2H3CO                     +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H81O4-5+OH=>H2O+C3H5-A+CH2CO                    +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H82O1-4+OH=>H2O+C3H4-A+CH3CO                    +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H82O2-4+OH=>H2O+C3H4-P+CH3CO                    +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H82O3-5+OH=>H2O+C4H612+HCO                      +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H82O4-5+OH=>H2O+C3H5-S+CH2CO                    +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H81O2-4+HO2=>H2O2+C3H4-A+CH3CO                  +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H81O3-4+HO2=>H2O2+C2H3+CH3CHCO                  +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H81O3-5+HO2=>H2O2+C2H4+C2H3CO                   +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H81O4-5+HO2=>H2O2+C3H5-A+CH2CO                  +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H82O1-4+HO2=>H2O2+C3H4-A+CH3CO                  +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H82O2-4+HO2=>H2O2+C3H4-P+CH3CO                  +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H82O3-5+HO2=>H2O2+C4H612+HCO                    +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H82O4-5+HO2=>H2O2+C3H5-S+CH2CO                  +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H81OOH4-3+HO2<=>C5H81-3,4OOH                    +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.91000000E+031 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +6.31000000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +1.03000000E+045 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +2.79000000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 /
C5H81OOH4-3+HO2<=>C5H81O-3-4OOH+OH                +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
C5H81OOH4-3+HO2<=>C5H81KET34+H2O                  +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.09000000E+000 +3.01000000E+000 -3.42110000E+003 /
PLOG /                           +1.00000000E-001 +6.35000000E+001 +2.50000000E+000 -2.34140000E+003 /
PLOG /                           +1.00000000E+000 +6.05000000E+005 +1.39000000E+000 +5.95100000E+002 /
PLOG /                           +1.00000000E+001 +3.10000000E+005 +1.59000000E+000 +2.67760000E+003 /
PLOG /                           +1.00000000E+002 +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 /
C5H81-3,4OOH<=>C5H81O-3-4OOH+OH                   +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C5H81-3,4OOH<=>C5H81KET34+H2O                     +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.99000000E+050 -1.27000000E+001 +5.35319000E+004 /
PLOG /                           +1.00000000E-001 +4.72000000E+047 -1.15000000E+001 +5.43609000E+004 /
PLOG /                           +1.00000000E+000 +1.50000000E+040 -8.84000000E+000 +5.31792000E+004 /
PLOG /                           +1.00000000E+001 +2.54000000E+028 -5.00000000E+000 +4.99194000E+004 /
PLOG /                           +1.00000000E+002 +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 /
C5H81OOH5-3+HO2<=>C5H81-3,5OOH                    +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.91000000E+031 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +6.31000000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +1.03000000E+045 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +2.79000000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 /
C5H81OOH5-3+HO2<=>C5H81O-3-5OOH+OH                +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
C5H81OOH5-3+HO2<=>C5H81KET35+H2O                  +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.09000000E+000 +3.01000000E+000 -3.42110000E+003 /
PLOG /                           +1.00000000E-001 +6.35000000E+001 +2.50000000E+000 -2.34140000E+003 /
PLOG /                           +1.00000000E+000 +6.05000000E+005 +1.39000000E+000 +5.95100000E+002 /
PLOG /                           +1.00000000E+001 +3.10000000E+005 +1.59000000E+000 +2.67760000E+003 /
PLOG /                           +1.00000000E+002 +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 /
C5H81-3,5OOH<=>C5H81O-3-5OOH+OH                   +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C5H81-3,5OOH<=>C5H81KET35+H2O                     +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.99000000E+050 -1.27000000E+001 +5.35319000E+004 /
PLOG /                           +1.00000000E-001 +4.72000000E+047 -1.15000000E+001 +5.43609000E+004 /
PLOG /                           +1.00000000E+000 +1.50000000E+040 -8.84000000E+000 +5.31792000E+004 /
PLOG /                           +1.00000000E+001 +2.54000000E+028 -5.00000000E+000 +4.99194000E+004 /
PLOG /                           +1.00000000E+002 +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 /
C5H82OOH1-4+HO2<=>C5H82-4,5OOH                    +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.91000000E+031 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +6.31000000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +1.03000000E+045 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +2.79000000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 /
C5H82OOH1-4+HO2<=>C5H82O-4-5OOH+OH                +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
C5H82OOH1-4+HO2<=>C5H82KET45+H2O                  +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.09000000E+000 +3.01000000E+000 -3.42110000E+003 /
PLOG /                           +1.00000000E-001 +6.35000000E+001 +2.50000000E+000 -2.34140000E+003 /
PLOG /                           +1.00000000E+000 +6.05000000E+005 +1.39000000E+000 +5.95100000E+002 /
PLOG /                           +1.00000000E+001 +3.10000000E+005 +1.59000000E+000 +2.67760000E+003 /
PLOG /                           +1.00000000E+002 +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 /
C5H82-4,5OOH<=>C5H82O-4-5OOH+OH                   +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C5H82-4,5OOH<=>C5H82KET45+H2O                     +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.99000000E+050 -1.27000000E+001 +5.35319000E+004 /
PLOG /                           +1.00000000E-001 +4.72000000E+047 -1.15000000E+001 +5.43609000E+004 /
PLOG /                           +1.00000000E+000 +1.50000000E+040 -8.84000000E+000 +5.31792000E+004 /
PLOG /                           +1.00000000E+001 +2.54000000E+028 -5.00000000E+000 +4.99194000E+004 /
PLOG /                           +1.00000000E+002 +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 /
C5H82OOH1-4+HO2<=>C5H82-1,4OOH                    +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.91000000E+031 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +6.31000000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +1.03000000E+045 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +2.79000000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 /
C5H82OOH1-4+HO2<=>C5H82O-4-1OOH+OH                +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
C5H82OOH1-4+HO2<=>C5H82KET41+H2O                  +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.09000000E+000 +3.01000000E+000 -3.42110000E+003 /
PLOG /                           +1.00000000E-001 +6.35000000E+001 +2.50000000E+000 -2.34140000E+003 /
PLOG /                           +1.00000000E+000 +6.05000000E+005 +1.39000000E+000 +5.95100000E+002 /
PLOG /                           +1.00000000E+001 +3.10000000E+005 +1.59000000E+000 +2.67760000E+003 /
PLOG /                           +1.00000000E+002 +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 /
C5H82-1,4OOH<=>C5H82O-4-1OOH+OH                   +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C5H82-1,4OOH<=>C5H82KET41+H2O                     +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.99000000E+050 -1.27000000E+001 +5.35319000E+004 /
PLOG /                           +1.00000000E-001 +4.72000000E+047 -1.15000000E+001 +5.43609000E+004 /
PLOG /                           +1.00000000E+000 +1.50000000E+040 -8.84000000E+000 +5.31792000E+004 /
PLOG /                           +1.00000000E+001 +2.54000000E+028 -5.00000000E+000 +4.99194000E+004 /
PLOG /                           +1.00000000E+002 +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 /
C5H81O-3-4OOH=>C2H3CHO+CH3CHO+OH                  +4.72000000E+020 -2.06000000E+000 +9.46500000E+003 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: ANALOGY TO C5H10OOH2-3O=>C2H5CHO+CH3CHO+OH 
C5H81O-3-5OOH<=>C2H3CHO+C2H4O2H                   +5.51000000E+022 -2.76000000E+000 +1.39800000E+004 !\Author: WARNING !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 
C5H82O-4-5OOH=>SC3H5CHO+CH2O+OH                   +8.69000000E+021 -2.37000000E+000 +1.26290000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: C5H10OOH1-2O=>NC3H7CHO+CH2O+OH

C5H82O-4-1OOH<=>CVOCVCCOOH+CH3                    +4.38000000E+016 -8.90000000E-001 +1.65300000E+004 !\Author: WARNING !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: C5H9O2-4<=>SC3H5CHO+CH3

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: ALKENYL-PEROXYREACTIONPATHWAYSQOOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C5H81OOH3-4<=>C5H81-3+HO2                         +2.09000000E+011 +2.58000000E-001 +1.07000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C5H81OOH4-3<=>C5H81-3+HO2                         +1.92000000E+012 +7.90000000E-002 +2.07000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C5H81OOH4-5<=>C5H8D14+HO2                         +1.78000000E+012 +2.40000000E-001 +1.57000000E+004 !\Author: WARNING !\Ref: S.M. VILLANO, L.K. HUYNH, H.-H. CARSTENSEN, A.M. DEAN, J. PHYS. CHEM. A 116(21)(2012) 5068-5089. !\Comment: WARNING 
C5H81OOH5-4<=>C5H8D14+HO2                         +5.63000000E+009 +9.70000000E-001 +1.50000000E+004 !\Author: WARNING !\Ref: S.M. VILLANO, L.K. HUYNH, H.-H. CARSTENSEN, A.M. DEAN, J. PHYS. CHEM. A 116(21)(2012) 5068-5089. !\Comment: WARNING 
C5H82OOH1-4<=>C5H81-3+HO2                         +1.92000000E+012 +7.90000000E-002 +2.07000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C5H81OOH3-1=>OH+C2H2+C2H5CHO                      +3.08100000E+013 +0.00000000E+000 +2.51337000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81OOH3-5=>OH+C2H4+C2H3CHO                      +3.08100000E+013 +0.00000000E+000 +2.30810000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81OOH4-2=>OH+C3H4-A+CH3CHO                     +3.08100000E+013 +0.00000000E+000 +2.60098000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81OOH5-3=>OH+C4H61-3+CH2O                         +3.08100000E+013 +0.00000000E+000 +3.25611000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H82OOH1-3=>OH+C4H6-1+CH2O                       +3.08100000E+013 +0.00000000E+000 +2.81187000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H82OOH4-2=>OH+C3H4-P+CH3CHO                     +3.08100000E+013 +0.00000000E+000 +2.51766000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H82OOH5-3=>OH+C4H612+CH2O                       +3.08100000E+013 +0.00000000E+000 +2.85268000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81OOH4-1<=>C2H2+C3H6OOH2-1                     +1.39200000E+014 +0.00000000E+000 +3.06890000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81OOH5-2<=>C3H4-A+C2H4O2H                      +1.39200000E+014 +0.00000000E+000 +3.00213000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H82OOH5-2<=>C3H4-P+C2H4O2H                      +1.39200000E+014 +0.00000000E+000 +3.08471000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: ALKENYL-PEROXYREACTIONPATHWAYSQOOH+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C5H81OOH3-4+O2<=>C5H81OOH3-4O2                    +4.61500000E+016 -1.62900000E+000 -2.00000000E+001 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C5H81OOH3-5+O2<=>C5H81OOH3-5O2                    +3.43100000E+016 -1.62700000E+000 +1.99000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81OOH4-3+O2<=>C5H81OOH4-3O2                    +4.57000000E+002 +2.17900000E+000 -2.20000000E+003 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C5H81OOH4-3+O2<=>C5H82OOH4-1O2                    +2.28500000E+002 +2.17900000E+000 -2.20000000E+003 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C5H81OOH4-5+O2<=>C5H81OOH4-5O2                    +3.43100000E+016 -1.62700000E+000 +1.99000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81OOH5-3+O2<=>C5H81OOH5-3O2                    +4.57000000E+002 +2.17900000E+000 -2.20000000E+003 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C5H81OOH5-3+O2<=>C5H82OOH5-1O2                    +2.28500000E+002 +2.17900000E+000 -2.20000000E+003 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C5H81OOH5-4+O2<=>C5H81OOH5-4O2                    +1.74300000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81OOH3-4O2<=>C5H81KET34+OH                     +1.74800000E+008 +1.70000000E+000 +2.60000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C5H81OOH3-5O2<=>C5H81KET35+OH                     +5.78600000E+001 +2.90000000E+000 +1.70000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C5H81OOH4-3O2<=>C5H81KET43+OH                     +1.74800000E+008 +1.70000000E+000 +2.60000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C5H81OOH4-5O2<=>C5H81KET45+OH                     +2.76300000E+008 +1.20000000E+000 +2.57000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C5H81OOH5-3O2<=>C5H81KET53+OH                     +1.09800000E+004 +2.40000000E+000 +1.99000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C5H81OOH5-4O2<=>C5H81KET54+OH                     +2.44000000E+007 +1.60000000E+000 +2.79000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C5H82OOH4-1O2<=>C5H82KET41+OH                     +3.76800000E+002 +2.20000000E+000 +1.53000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C5H82OOH5-1O2<=>C5H82KET51+OH                     +1.11500000E+003 +1.80000000E+000 +1.66000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C5H81KET34=>C5H81KET34O+OH                        +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81KET34O=>C2H3CO+CH3CHO                        +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81KET35=>C5H81KET35O+OH                        +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81KET35O=>C2H3+CH2CO+CH2O                      +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81KET43=>C5H81KET43O+OH                        +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81KET43O=>C2H3CHO+CH3CO                        +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81KET45=>C5H81KET45O+OH                        +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81KET45O=>C3H5-A+CO+CH2O                       +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81KET53=>C5H81KET53O+OH                        +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81KET53O=>C2H3CHO+CH2CHO                       +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81KET54=>C5H81KET54O+OH                        +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81KET54O=>AC3H5CHO+HCO                         +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H82KET41=>C5H82KET41O+OH                        +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H82KET41O=>C2H2+CH3CO+CH2O                      +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H82KET51=>C5H82KET51O+OH                        +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H82KET51O=>C2H2+CH2CHO+CH2O                     +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C5H81-3C5H8D14\CYC3H5CHCH2!TODO!
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: CC5H10BC5H10
!\MECHCOMMENTS: KPS, 22 / 07 / 2015 REACTION CLASS \E_RADICAL_BETA_SCISSION IS EMPTY
!\MECHCOMMENTS: KPS, 22 / 07 / 2015 WHEN COMBINING JBS PENTANE WITH CWS ISO-BUTENE KPS NOTICED THAT BOTH MECAHNISMS HAVE COMMON REACTIONS
!\MECHCOMMENTS: FOR AC5H10 AND BOTH AUTHORS ARE USING DIFFERENT KINETIC PARAMETERS. THIS WILL HAVE TO BE DISCUSSED
!\MECHCOMMENTS: I HAVE COMBINED JOHNS AC5H10 REACTIONS WITH CWS AND SEPERATED THEM INTO THEIR REACTION CLASSES MEANING THAT SOME REACTIONS
!\MECHCOMMENTS: HAVE BEEN REMOVED FROM THIS SUBMECHANISM. EACH RATE CONSTANT IS COMMENTED
!\MECHCOMMENTS: SEARCH FOR "!\\WARNING: DUPLICATED KINETICS" AT THE TOP OF THE AC5H10 SUBMECH. IT LOOKS LIKE CWS KINETICS ARE MUCH MORE DETAILED.
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
BC5H10<=>C4H72-2+CH3                              +2.40000000E+023 -1.92600000E+000 +1.01400000E+005 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
BC5H10=IC4H7-I1+CH3                               +4.30000000E+064 -1.34000000E+001 +1.35000000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
BC5H10=IC4H7-I1+CH3                               +1.46000000E+039 -6.70000000E+000 +1.08740000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP

!UPDATES FROM SN
AC5H9-C+H=BC5H10       2.00E+14    0.000       0 !!C3H5-A+H=C3H6,RATE FROM YE, PROCI (2015), 223-230 KUKKADAPU1@LLNL.GOV
PLOG/   0.01                     1.00E+64            -15.02   23890   /!!
PLOG/   0.01                     9.25E+39            -8.59     6466      /!!
PLOG/   0.1                                      7.00E+60            -13.84   24846   /!!
PLOG/   0.1                                      1.69E+34            -6.64     5193      /!!
PLOG/   1                                         5.00E+57            -12.7     25947   /!!
PLOG/   1                                         4.53E+29            -5.1       4172      /!!
PLOG/   10                                       8.40E+52            -11.13   25910   /!!
PLOG/   10                                       2.39E+25            -3.68     3143      /!!
PLOG/   100                                     3.45E+44            -8.62     22842   /!!
PLOG/   100                                     5.50E+20            -2.16     1917      /!!
PLOG/   1.00E+03            7.70E+14            -0.31     435        /!!
PLOG/   1.00E+03            3.57E+11            0.65       -610      /!!
!!

AC5H9-C+H=AC5H10     2.00E+14    0.000       0 !!C3H5-A+H=C3H6,RATE FROM YE, PROCI (2015), 223-230 KUKKADAPU1@LLNL.GOV
PLOG/   0.01                     1.00E+64            -15.02   23890   /!!
PLOG/   0.01                     9.25E+39            -8.59     6466      /!!
PLOG/   0.1                                      7.00E+60            -13.84   24846   /!!
PLOG/   0.1                                      1.69E+34            -6.64     5193      /!!
PLOG/   1                                         5.00E+57            -12.7     25947   /!!
PLOG/   1                                         4.53E+29            -5.1       4172      /!!
PLOG/   10                                       8.40E+52            -11.13   25910   /!!
PLOG/   10                                       2.39E+25            -3.68     3143      /!!
PLOG/   100                                     3.45E+44            -8.62     22842   /!!
PLOG/   100                                     5.50E+20            -2.16     1917      /!!
PLOG/   1.00E+03            7.70E+14            -0.31     435        /!!
PLOG/   1.00E+03            3.57E+11            0.65       -610      /!!
!!
!

AC5H9-C+H=>CH3+C4H72-2  4.57E+38   -6.21     40659 !! KUKKADAPU1@LLNL.GOV, FROM C3H5-A+H=C2H3+CH3,
PLOG/    0.01     2.80E+36            -6.21     22598 / !!RATE FROM YE, PROCI (2015), 223-230
PLOG/    0.01     6.29E+22            -2.17     15669 / !!RATE FROM YE, PROCI (2015), 223-230
PLOG/    0.1        3.78E+38            -6.65     26214 / !!RATE FROM YE, PROCI (2015), 223-230
PLOG/    0.1        3.79E+20            -1.54     15995 / !!RATE FROM YE, PROCI (2015), 223-230
PLOG/    1                         6.68E+37            -6.26     29403 / !!RATE FROM YE, PROCI (2015), 223-230
PLOG/    1                         1.62E+18            -0.96     16085 / !!RATE FROM YE, PROCI (2015), 223-230
PLOG/    10                       4.66E+42            -7.45     38323 / !!RATE FROM YE, PROCI (2015), 223-230
PLOG/    10                       3.04E+21            -1.86     19953 / !!RATE FROM YE, PROCI (2015), 223-230
PLOG/    100       4.57E+38            -6.21     40659 / !!RATE FROM YE, PROCI (2015), 223-230
PLOG/    100       1.42E+11            1.06      16510 / !!RATE FROM YE, PROCI (2015), 223-230
!

AC5H9-A2+H=AC5H10     2.00E+14    0.000       0 !FROM C3H5-A+H=C3H6, KUKKADAPU1@LLNL.GOV
PLOG/   0.01           2.00E+64        -15.02   23890   /!!RATE FROM YE, PROCI (2015), 223-230
PLOG/   0.01           1.85E+40        -8.59     6466      /!!RATE FROM YE, PROCI (2015), 223-230
PLOG/   0.1                 1.40E+61    -13.84   24846   /!!RATE FROM YE, PROCI (2015), 223-230
PLOG/   0.1                 3.37E+34    -6.64     5193      /!!RATE FROM YE, PROCI (2015), 223-230
PLOG/   1                    1.00E+58    -12.7     25947   /!!RATE FROM YE, PROCI (2015), 223-230
PLOG/   1                    9.06E+29    -5.1       4172      /!!RATE FROM YE, PROCI (2015), 223-230
PLOG/   10                  1.68E+53    -11.13   25910   /!!RATE FROM YE, PROCI (2015), 223-230
PLOG/   10                  4.78E+25    -3.68     3143      /!!RATE FROM YE, PROCI (2015), 223-230
PLOG/   100                6.89E+44    -8.62     22842   /!!RATE FROM YE, PROCI (2015), 223-230
PLOG/   100                1.10E+21    -2.16     1917      /!!RATE FROM YE, PROCI (2015), 223-230
PLOG/   1.00E+03            1.54E+15            -0.31     435            /!!RATE FROM YE, PROCI (2015), 223-230
PLOG/   1.00E+03            7.13E+11     0.65              -610      /!!RATE FROM YE, PROCI (2015), 223-230
!!

AC5H9-A2+H=>CH3+C4H71-2  4.57E+38 -6.21     40659 !! KUKKADAPU1@LLNL.GOV, FROM C3H5-A+H=C2H3+CH3,
PLOG/    0.01     2.80E+36            -6.21     22598 / !!RATE FROM YE, PROCI (2015), 223-230
PLOG/    0.01     6.29E+22            -2.17     15669 / !!RATE FROM YE, PROCI (2015), 223-230
PLOG/    0.1        3.78E+38            -6.65     26214 / !!RATE FROM YE, PROCI (2015), 223-230
PLOG/    0.1        3.79E+20            -1.54     15995 / !!RATE FROM YE, PROCI (2015), 223-230
PLOG/    1                         6.68E+37            -6.26     29403 / !!RATE FROM YE, PROCI (2015), 223-230
PLOG/    1                         1.62E+18            -0.96     16085 / !!RATE FROM YE, PROCI (2015), 223-230
PLOG/    10                       4.66E+42            -7.45     38323 / !!RATE FROM YE, PROCI (2015), 223-230
PLOG/    10                       3.04E+21            -1.86     19953 / !!RATE FROM YE, PROCI (2015), 223-230
PLOG/    100       4.57E+38            -6.21     40659 / !!RATE FROM YE, PROCI (2015), 223-230
PLOG/    100       1.42E+11            1.06      16510 / !!RATE FROM YE, PROCI (2015), 223-230
!

!
CC5H9-B+H=BC5H10  2.00E+14    0.000       0 !!C3H5-A+H=C3H6,RATE FROM YE, PROCI (2015), 223-230 KUKKADAPU1@LLNL.GOV
PLOG/   0.01                     1.00E+64            -15.02   23890   /!!
PLOG/   0.01                     9.25E+39            -8.59     6466      /!!
PLOG/   0.1                                      7.00E+60            -13.84   24846   /!!
PLOG/   0.1                                      1.69E+34            -6.64     5193      /!!
PLOG/   1                                         5.00E+57            -12.7     25947   /!!
PLOG/   1                                         4.53E+29            -5.1       4172      /!!
PLOG/   10                                       8.40E+52            -11.13   25910   /!!
PLOG/   10                                       2.39E+25            -3.68     3143      /!!
PLOG/   100                                     3.45E+44            -8.62     22842   /!!
PLOG/   100                                     5.50E+20            -2.16     1917      /!!
PLOG/   1.00E+03            7.70E+14            -0.31     435        /!!
PLOG/   1.00E+03            3.57E+11            0.65       -610      /!!
!!

CC5H9-B+H=CC5H10       2.00E+14    0.000       0 !!C3H5-A+H=C3H6,RATE FROM YE, PROCI (2015), 223-230 KUKKADAPU1@LLNL.GOV
PLOG/   0.01                     1.00E+64            -15.02   23890   /!!
PLOG/   0.01                     9.25E+39            -8.59     6466      /!!
PLOG/   0.1                                      7.00E+60            -13.84   24846   /!!
PLOG/   0.1                                      1.69E+34            -6.64     5193      /!!
PLOG/   1                                         5.00E+57            -12.7     25947   /!!
PLOG/   1                                         4.53E+29            -5.1       4172      /!!
PLOG/   10                                       8.40E+52            -11.13   25910   /!!
PLOG/   10                                       2.39E+25            -3.68     3143      /!!
PLOG/   100                                     3.45E+44            -8.62     22842   /!!
PLOG/   100                                     5.50E+20            -2.16     1917      /!!
PLOG/   1.00E+03            7.70E+14            -0.31     435        /!!
PLOG/   1.00E+03            3.57E+11            0.65       -610      /!!
!!

!

CC5H9-B+H=>CH3+IC4H7-I1  4.57E+38   -6.21     40659 !! KUKKADAPU1@LLNL.GOV, FROM C3H5-A+H=C2H3+CH3,
PLOG/    0.01     2.80E+36            -6.21     22598 / !!RATE FROM YE, PROCI (2015), 223-230
PLOG/    0.01     6.29E+22            -2.17     15669 / !!RATE FROM YE, PROCI (2015), 223-230
PLOG/    0.1        3.78E+38            -6.65     26214 / !!RATE FROM YE, PROCI (2015), 223-230
PLOG/    0.1        3.79E+20            -1.54     15995 / !!RATE FROM YE, PROCI (2015), 223-230
PLOG/    1                         6.68E+37            -6.26     29403 / !!RATE FROM YE, PROCI (2015), 223-230
PLOG/    1                         1.62E+18            -0.96     16085 / !!RATE FROM YE, PROCI (2015), 223-230
PLOG/    10                       4.66E+42            -7.45     38323 / !!RATE FROM YE, PROCI (2015), 223-230
PLOG/    10                       3.04E+21            -1.86     19953 / !!RATE FROM YE, PROCI (2015), 223-230
PLOG/    100       4.57E+38            -6.21     40659 / !!RATE FROM YE, PROCI (2015), 223-230
PLOG/    100       1.42E+11            1.06      16510 / !!RATE FROM YE, PROCI (2015), 223-230



C4H71-3+CH3(+M)<=>CC5H10(+M)                      +1.00000000E+014 -3.20000000E-001 -2.62300000E+002 !\Author: SD !\Ref: TSANG '91 !\Comment: WARNING 
LOW /                                             +3.91000000E+060 -1.28100000E+001 +6.25000000E+003 /
TROE /                           +1.04000000E-001 +1.60600000E+003 +6.00000000E+004 +6.11840000E+003 /
AR / +0.7000 / CO / +1.5000 / H2 / +2.0000 / CH4 / +2.0000 / CO2 / +2.0000 / C2H6 / +3.0000 / H2O / +6.0000 / 
CC5H10=IC3H7+C2H3                                 +2.15000000E+064 -1.33700000E+001 +1.34540000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.88000000E+078 -1.87200000E+001 +1.29850000E+005 /
PLOG /                           +1.00000000E-002 +1.69000000E+059 -1.36100000E+001 +1.13290000E+005 /
PLOG /                           +1.00000000E-001 +8.74000000E+076 -1.78900000E+001 +1.31540000E+005 /
PLOG /                           +1.00000000E-001 +2.00000000E+060 -1.36600000E+001 +1.14890000E+005 /
PLOG /                           +1.00000000E+000 +5.80000000E+075 -1.71700000E+001 +1.34430000E+005 /
PLOG /                           +1.00000000E+000 +6.70000000E+054 -1.17900000E+001 +1.13840000E+005 /
PLOG /                           +1.00000000E+001 +8.12000000E+071 -1.57500000E+001 +1.35960000E+005 /
PLOG /                           +1.00000000E+001 +1.06000000E+047 -9.27000000E+000 +1.11510000E+005 /
PLOG /                           +1.00000000E+002 +2.15000000E+064 -1.33700000E+001 +1.34540000E+005 /
PLOG /                           +1.00000000E+002 +7.29000000E+038 -6.70000000E+000 +1.08740000E+005 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
!DONG 211227!CC5H10+OH<=>CC5H9-A+H2O                           +1.40000000E+008 +1.61000000E+000 -3.50000000E+001 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING ! 
CC5H10+OH<=>CC5H9-A+H2O                           +3.30000000E+007 +1.76300000E+000 +7.43200000E+002 !NEOC5H12+OH<=>NEOC5H11+H2O\Author: WARNING !\Ref: R. SIVARAMAKRISHNAN, J. V. MICHAEL, J. PHYS. CHEM. A, 2009, 113, 5047-5060 !\Comment: WARNING 

CC5H10+HO2<=>CC5H9-A+H2O2                         +2.89200000E+004 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING ! 
CC5H10+CH3<=>CC5H9-A+CH4                          +4.50000000E-001 +3.65000000E+000 +7.15400000E+003 !\Author: SN !\Ref: ALKANE RATE RULE !\Comment: WARNING 
CC5H10+CH3=CC5H9-B+CH4                            +3.33000000E+002 +2.92000000E+000 +4.37000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CC5H10+CH3O<=>CC5H9-A+CH3OH                       +4.35000000E+011 +0.00000000E+000 +4.57100000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING ! 
CC5H10+CH3O2<=>CC5H9-A+CH3O2H                     +2.89200000E+004 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING ! 
BC5H10+OH<=>AC5H9-C+H2O                           +6.24000000E+006 +2.00000000E+000 -2.98000000E+002 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING ! 
BC5H10+HO2<=>AC5H9-C+H2O2                         +1.92800000E+004 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING ! 
BC5H10+CH3<=>AC5H9-C+CH4                          +1.11000000E+002 +3.27000000E+000 +7.15000000E+003 !\Author: SN !\Ref: 2*RATE RULE PRIMARY !ALLYL WARNING NO REFERENCE !\Comment: WARNING ! 
BC5H10+CH3<=>CC5H9-B+CH4                          +1.11000000E+002 +3.27000000E+000 +7.15000000E+003 !\Author: SN !\Ref: 2*RATE RULE PRIMARY !ALLYL WARNING NO !\Comment: WARNING 
BC5H10+CH3O<=>AC5H9-C+CH3OH                       +1.80000000E+002 +2.95000000E+000 +1.19900000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING ! 
BC5H10+CH3O2<=>AC5H9-C+CH3O2H                     +1.92800000E+004 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING ! 
BC5H10+OH<=>CC5H9-B+H2O                           +3.12000000E+006 +2.00000000E+000 -2.98000000E+002 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING ! 
BC5H10+HO2<=>CC5H9-B+H2O2                         +9.63900000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING ! 
BC5H10+CH3O<=>CC5H9-B+CH3OH                       +9.00000000E+001 +2.95000000E+000 +1.19900000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING ! 
BC5H10+CH3O2<=>CC5H9-B+CH3O2H                     +9.63900000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING ! 
!DONG 211227!CC5H10+OH<=>CC5H9-B+H2O                           +6.14000000E+002 +3.20000000E+000 -3.50000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING ! 
CC5H10+OH<=>CC5H9-B+H2O                           +1.61600000E+006 +2.20000000E+000 -2.43720000E+003 !E-2KCAL/MOL, C4H8-1+OH<=>C4H71-3+H2O\Author: WARNING !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: WARNING 

CC5H10+HO2<=>CC5H9-B+H2O2                         +1.81000000E+003 +2.50000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING ! 
CC5H10+CH3O<=>CC5H9-B+CH3OH                       +1.00000000E+001 +2.85000000E+000 +5.23100000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING ! 
CC5H10+CH3O2<=>CC5H9-B+CH3O2H                     +1.81000000E+003 +2.50000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING ! 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONOH
!___________________________________________________________________________________________________________ 
BC5H10+OH<=>BC5H10OH                              +1.00000000E+012 +0.00000000E+000 -1.04200000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING ! 
CC5H10+OH<=>CC5H10OH                              +1.00000000E+012 +0.00000000E+000 -1.04200000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING ! 
BC5H10+OH<=>IC3H7+CH3CHO                          +2.00000000E+010 +0.00000000E+000 +4.00000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING ! 
CC5H10+OH<=>IC4H9+CH2O                            +2.00000000E+010 +0.00000000E+000 +4.00000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING ! 
BC5H10OH+O2<=>BO2C5H10OH                          +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING ! 
CC5H10OH+O2<=>CO2C5H10OH                          +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING ! 
BO2C5H10OH=>CH3COCH3+CH3CHO+OH                    +2.50000000E+010 +0.00000000E+000 +1.88600000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING ! 
CO2C5H10OH=>IC3H7CHO+CH2O+OH                      +2.50000000E+010 +0.00000000E+000 +1.88600000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING ! 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+HO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
AC5H9-A2+HO2<=>AC5H9O-A2+OH                       +9.64000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING ! 
AC5H9-A2+CH3O2<=>AC5H9O-A2+CH3O                   +9.64000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING ! 
AC5H9-A2+C2H5O2<=>AC5H9O-A2+C2H5O                 +9.64000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING ! 
!DONG 211227!CC5H9-B+HO2<=>CC5H9O-B+OH                         +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CC5H9-B+CH3O2<=>CC5H9O-B+CH3O                     +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CC5H9-B+C2H5O2<=>CC5H9O-B+C2H5O                   +9.64000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING ! 


CC5H9-B+HO2<=>C5H9C-BOOH                          +7.20000000E+031 -6.01000000E+000 +6.05360000E+003 !C5H91-3+HO2<=>C5H92-1OOH\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +9.55000000E+030 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +3.15500000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +5.15000000E+044 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +1.39500000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +7.20000000E+031 -6.01000000E+000 +6.05360000E+003 /
CC5H9-B+HO2<=>CC5H9O-B+OH                         +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 !C5H91-3+HO2<=>C5H9O2-1+OH\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.10000000E+012 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +2.49000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +3.88500000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +1.46500000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 /

CC5H9-B+HO2<=>C5H9B-DOOH                          +7.20000000E+031 -6.01000000E+000 +6.05360000E+003 !C5H91-3+HO2<=>C5H92-1OOH\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +9.55000000E+030 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +3.15500000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +5.15000000E+044 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +1.39500000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +7.20000000E+031 -6.01000000E+000 +6.05360000E+003 /
CC5H9-B+HO2<=>B2E3M1OJ+OH                         +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 !C5H91-3+HO2<=>C5H9O2-1+OH\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.10000000E+012 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +2.49000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +3.88500000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +1.46500000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 /

B2E3M1OJ<=>CH2O+IC4H7-I1                          +8.52000000E+025 -3.61000000E+000 +2.78634000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325-3346 !\Comment: WARNING 
B2E3M1OJ<=>IC5D2Y4+H                              +2.57000000E+020 -2.06000000E+000 +2.20401000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325-3346 !\Comment: WARNING 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
AC5H9O-A2<=>C4H71-2+CH2O                          +9.21000000E+017 -1.43000000E+000 +3.03300000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING ! 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ISOMERISATION
!___________________________________________________________________________________________________________ 
AC5H9-D<=>AC5H9-A2                                +2.22000000E+012 +0.00000000E+000 +3.17000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: 2*OLD RATEWARNING ! 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: CC5H10BC5H10
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: AC5H10
!\MECHCOMMENTS: AC5H10 SUBMECH CONTAINS B13DE2M(BUTA-1,3-DIENE-2-METHYL OR 2-METHYL-1,3-BUTADIENE AS A SUBMECH BELOW
!\MECHCOMMENTS: IF SIMULATING IC4H10, AC5H10 SUBMECHANISM IN C5-MODULE IS NECESSARY ALONG WITH B13DE2M SUBMECH.
!\MECHCOMMENTS: KPS, 22 / 07 / 2015 WHEN COMBINING JBS PENTANE WITH CWS ISO-BUTENE KPS NOTICED THAT BOTH MECAHNISMS HAVE COMMON REACTIONS
!\MECHCOMMENTS: FOR AC5H10 AND BOTH AUTHORS ARE USING DIFFERENT KINETIC PARAMETERS. THIS WILL HAVE TO BE DISCUSSED
!\MECHCOMMENTS: I HAVE COMBINED JOHNS AC5H10 REACTIONS WITH CWS AND SEPERATED THEM INTO THEIR REACTION CLASSED. EACH RATE CONSTANT IS COMMENTED
!\MECHCOMMENTS: SEARCH FOR "!\\WARNING: DUPLICATED KINETICS" AT THE TOP OF THE AC5H10 SUBMECH. IT LOOKS LIKE CWS KINETICS ARE MUCH MORE DETAILED.
!\MECHCOMMENTS: DUPLICATED KINETICS
!\MECHCOMMENTS: POSSIBLE DUPLICATED REACTIONS, WE ALL NEED TO DISCUSS COMBINING THESE REACTIONS WITH OTHER PARTS OF MECHANISM
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
AC5H10<=>C3H5-T+C2H5                              +8.92200000E+024 -2.40900000E+000 +1.00500000E+005 !\Author: KPS, THIS REACTION IS FROM CWS IC4H8 !\Ref: WARNING !\Comment: WARNING 
IC4H7+CH3(+M)<=>AC5H10(+M)                        +1.50000000E+014 -3.20000000E-001 -2.62300000E+002 !\Author: KPS, THIS REACTION IS FROM CWS IC4H8 !\Ref: WARNING !\Comment: WARNING 
LOW /                                             +5.86500000E+060 -1.28100000E+001 +6.25000000E+003 /
TROE /                           +1.04000000E-001 +1.60600000E+003 +6.00000000E+004 +6.11800000E+003 /
AR / +0.7000 / CO / +1.5000 / CO2 / +2.0000 / CH4 / +2.0000 / H2 / +2.0000 / C2H6 / +3.0000 / H2O / +6.0000 / 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
AC5H10+O<=>AC5H9-A2+OH                            +3.70000000E+005 +2.56000000E+000 -1.13000000E+003 !\Author: WARNING !\Ref: FROM LLNL C8-C16 N-ALKANES MECH !\Comment: WARNING 
AC5H10+OH<=>AC5H9-A2+H2O                          +3.12000000E+006 +2.00000000E+000 -2.98000000E+002 !\Author: WARNING !\Ref: FROM LLNL C8-C16 N-ALKANES MECH !\Comment: WARNING 
AC5H10+HO2<=>AC5H9-A2+H2O2                        +9.63900000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: FROM LLNL C8-C16 N-ALKANES MECH !\Comment: WARNING 
AC5H10+CH3<=>AC5H9-A2+CH4                         +5.43000000E+001 +3.27000000E+000 +7.15000000E+003 !\Author: SN !\Ref: PRIMARY ALLYLIC RATE RULE !\Comment: WARNING 
AC5H10+CH3O2<=>AC5H9-A2+CH3O2H                    +9.63900000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: FROM LLNL C8-C16 N-ALKANES MECH !\Comment: WARNING 
AC5H10+CH3O<=>AC5H9-A2+CH3OH                      +9.00000000E+001 +2.95000000E+000 +1.19900000E+004 !\Author: WARNING !\Ref: FROM LLNL C8-C16 N-ALKANES MECH !\Comment: WARNING 
AC5H10+OH<=>AC5H9-C+H2O                           +2.76400000E+004 +2.64000000E+000 -1.91900000E+003 !\Author: WARNING !\Ref: FROM LLNL C8-C16 N-ALKANES MECH !\Comment: WARNING 
AC5H10+HO2<=>AC5H9-C+H2O2                         +4.82000000E+003 +2.55000000E+000 +1.05300000E+004 !\Author: WARNING !\Ref: FROM LLNL C8-C16 N-ALKANES MECH !\Comment: WARNING 
AC5H10+CH3<=>AC5H9-C+CH4                          +1.61000000E+002 +3.12000000E+000 +6.32000000E+003 !\Author: SN !\Ref: WANG, !KUN, ET AL. ! !\Comment: WARNING 
AC5H10+CH3O2<=>AC5H9-C+CH3O2H                     +4.82000000E+003 +2.55000000E+000 +1.05300000E+004 !\Author: WARNING !\Ref: FROM LLNL C8-C16 N-ALKANES MECH !\Comment: WARNING 
AC5H10+CH3O<=>AC5H9-C+CH3OH                       +4.00000000E+001 +2.90000000E+000 +8.60900000E+003 !\Author: WARNING !\Ref: FROM LLNL C8-C16 N-ALKANES MECH !\Comment: WARNING 
AC5H10+OH<=>AC5H9-D+H2O                           +7.01000000E+007 +1.61000000E+000 -3.50000000E+001 !\Author: WARNING !\Ref: FROM LLNL C8-C16 N-ALKANES MECH !\Comment: WARNING 
AC5H10+HO2<=>AC5H9-D+H2O2                         +1.45000000E+004 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: FROM LLNL C8-C16 N-ALKANES MECH !\Comment: WARNING 
AC5H10+CH3O<=>AC5H9-D+CH3OH                       +2.18000000E+011 +0.00000000E+000 +4.57100000E+003 !\Author: WARNING !\Ref: FROM LLNL C8-C16 N-ALKANES MECH !\Comment: WARNING 
AC5H10+CH3O2<=>AC5H9-D+CH3O2H                     +1.45000000E+004 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: FROM LLNL C8-C16 N-ALKANES MECH !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
AC5H9-A2<=>C3H4-A+C2H5                            +1.98300000E+020 -1.63000000E+000 +5.92400000E+004 !\Author: WARNING !\Ref: FROM LLNL C8-C16 N-ALKANES MECH !\Comment: WARNING 
B13DE2M+H<=>AC5H9-C                               +4.00000000E+013 +0.00000000E+000 +1.30000000E+003 !\Author: WARNING !\Ref: FROM LLNL C8-C16 N-ALKANES MECH !\Comment: WARNING 
C4H612+CH3<=>AC5H9-C                              +1.76000000E+004 +2.48000000E+000 +6.13000000E+003 !\Author: WARNING !\Ref: H.J. CURRAN, INT. J. CHEM. KIN. 38(4)(2006) 250?275. EXTERNAL CH3 ATOM ADDITION TO PROPENE !\Comment: WARNING 
B13DE2M+H<=>AC5H9-D                               +2.50000000E+011 +5.10000000E-001 +2.62000000E+003 !\Author: WARNING !\Ref: H.J. CURRAN, INT. J. CHEM. KIN. 38(4)(2006) 250-275. INTERNAL H ATOM ADDITION TO PROPENE !\Comment: WARNING 
AC5H9-D<=>C3H5-T+C2H4                             +1.22000000E+012 +6.40000000E-001 +2.93700000E+004 !\Author: WARNING !\Ref: CURRAN IJCK, 2006, 38, 250-275. !\Comment: WARNING 
C5H91-4<=>B13DE2M+H                               +7.50425158E+023 -3.38468317E+000 +4.70358747E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.50909706E+060 -1.56154193E+001 +5.25951436E+004 /
PLOG /                           +1.00000000E-001 +3.49954087E+063 -1.60921560E+001 +5.76103856E+004 /
PLOG /                           +1.00000000E+000 +1.71805339E+052 -1.23121881E+001 +5.51460607E+004 /
PLOG /                           +1.00000000E+001 +2.12176631E+036 -7.30362154E+000 +4.98316975E+004 /
PLOG /                           +1.00000000E+002 +7.50425158E+023 -3.38468317E+000 +4.70358747E+004 /
C5H81-3+H<=>B13DE2M+H                             +1.42461385E+020 -1.68786152E+000 +2.93083526E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +7.02763128E+020 -2.45818345E+000 +1.53655233E+004 /
PLOG /                           +1.00000000E-001 +6.01758601E+028 -4.69847828E+000 +2.10346004E+004 /
PLOG /                           +1.00000000E+000 +1.56798728E+036 -6.71854681E+000 +2.78808436E+004 /
PLOG /                           +1.00000000E+001 +4.23941390E+034 -6.07512910E+000 +3.13653704E+004 /
PLOG /                           +1.00000000E+002 +1.42461385E+020 -1.68786152E+000 +2.93083526E+004 /
C5H8D14+H<=>B13DE2M+H                             +5.28360412E+018 -1.18950262E+000 +2.43230912E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.88966885E+017 -1.31860516E+000 +9.94187061E+003 /
PLOG /                           +1.00000000E-001 +1.40863076E+024 -3.26537518E+000 +1.47394900E+004 /
PLOG /                           +1.00000000E+000 +1.99732982E+032 -5.51341682E+000 +2.16864243E+004 /
PLOG /                           +1.00000000E+001 +2.31639525E+032 -5.34581998E+000 +2.59205491E+004 /
PLOG /                           +1.00000000E+002 +5.28360412E+018 -1.18950262E+000 +2.43230912E+004 /
B13DE2M+H=CH3+C4H6-1                              +2.82000000E+063 -1.42020000E+001 +5.23660000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +7.86000000E+033 -6.20000000E+000 +2.17410000E+004 /
PLOG /                           +1.00000000E-002 +7.45000000E+032 -5.91400000E+000 +2.11970000E+004 /
PLOG /                           +1.00000000E-001 +1.75000000E+039 -7.70200000E+000 +2.57640000E+004 /
PLOG /                           +1.00000000E+000 +1.35000000E+049 -1.04480000E+001 +3.36780000E+004 /
PLOG /                           +1.00000000E+001 +2.43000000E+058 -1.29560000E+001 +4.30600000E+004 /
PLOG /                           +1.00000000E+002 +2.82000000E+063 -1.42020000E+001 +5.23660000E+004 /
B13DE2M+H=C4H61-3+CH3                                +6.29000000E+037 -6.61100000E+000 +2.52750000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +2.50000000E+015 -5.14000000E-001 +4.05400000E+003 /
PLOG /                           +1.00000000E-002 +3.55000000E+015 -5.69000000E-001 +4.06400000E+003 /
PLOG /                           +1.00000000E-001 +5.82000000E+021 -2.32700000E+000 +8.27800000E+003 /
PLOG /                           +1.00000000E+000 +1.47000000E+030 -4.67500000E+000 +1.46110000E+004 /
PLOG /                           +1.00000000E+001 +4.93000000E+036 -6.44200000E+000 +2.09020000E+004 /
PLOG /                           +1.00000000E+002 +6.29000000E+037 -6.61100000E+000 +2.52750000E+004 /
B13DE2M+H=CH3+C4H612                              +1.95000000E+048 -9.05600000E+000 +5.51450000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +7.84000000E+029 -4.55100000E+000 +1.96130000E+004 /
PLOG /                           +1.00000000E-003 +3.62000000E+026 -3.45900000E+000 +1.88110000E+004 /
PLOG /                           +1.00000000E-002 +6.84000000E+043 -8.54500000E+000 +2.84800000E+004 /
PLOG /                           +1.00000000E-002 +8.65000000E+034 -5.83800000E+000 +2.45280000E+004 /
PLOG /                           +1.00000000E-001 +1.36000000E+055 -1.16100000E+001 +3.89070000E+004 /
PLOG /                           +1.00000000E-001 +5.74000000E+040 -7.40500000E+000 +3.01870000E+004 /
PLOG /                           +1.00000000E+000 +4.01000000E+060 -1.29210000E+001 +4.80890000E+004 /
PLOG /                           +1.00000000E+000 +3.09000000E+042 -7.76100000E+000 +3.44560000E+004 /
PLOG /                           +1.00000000E+001 +7.57000000E+058 -1.21940000E+001 +5.41720000E+004 /
PLOG /                           +1.00000000E+001 +9.06000000E+038 -6.61800000E+000 +3.61740000E+004 /
PLOG /                           +1.00000000E+002 +1.95000000E+048 -9.05600000E+000 +5.51450000E+004 /
PLOG /                           +1.00000000E+002 +4.50000000E+028 -3.58900000E+000 +3.39610000E+004 /
B13DE2M+H=C2H3+C3H6                               +2.03000000E+035 -6.06100000E+000 +2.88990000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.73000000E+015 -5.49000000E-001 +1.12580000E+004 /
PLOG /                           +1.00000000E-002 +1.55000000E+013 +3.50000000E-002 +1.00340000E+004 /
PLOG /                           +1.00000000E-001 +2.01000000E+016 -8.53000000E-001 +1.19820000E+004 /
PLOG /                           +1.00000000E+000 +3.28000000E+022 -2.60400000E+000 +1.63350000E+004 /
PLOG /                           +1.00000000E+001 +3.68000000E+029 -4.55100000E+000 +2.22330000E+004 /
PLOG /                           +1.00000000E+002 +2.03000000E+035 -6.06100000E+000 +2.88990000E+004 /
B13DE2M+H=IC3H7+C2H2                              +4.53000000E+059 -1.30960000E+001 +5.92400000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +2.45000000E+028 -4.83100000E+000 +1.98290000E+004 /
PLOG /                           +1.00000000E-003 +5.90000000E+027 -4.45100000E+000 +1.83230000E+004 /
PLOG /                           +1.00000000E-002 +2.76000000E+034 -6.52100000E+000 +2.46610000E+004 /
PLOG /                           +1.00000000E-002 +2.09000000E+024 -3.46600000E+000 +1.63110000E+004 /
PLOG /                           +1.00000000E-001 +1.69000000E+040 -8.06500000E+000 +3.05670000E+004 /
PLOG /                           +1.00000000E-001 +2.49000000E+028 -4.62800000E+000 +1.87940000E+004 /
PLOG /                           +1.00000000E+000 +1.02000000E+046 -9.55800000E+000 +3.79360000E+004 /
PLOG /                           +1.00000000E+000 +3.34000000E+037 -7.20300000E+000 +2.51760000E+004 /
PLOG /                           +1.00000000E+001 +1.67000000E+052 -1.11510000E+001 +4.72560000E+004 /
PLOG /                           +1.00000000E+001 +7.22000000E+048 -1.03450000E+001 +3.46720000E+004 /
PLOG /                           +1.00000000E+002 +4.53000000E+059 -1.30960000E+001 +5.92400000E+004 /
PLOG /                           +1.00000000E+002 +2.51000000E+059 -1.31590000E+001 +4.64570000E+004 /
B13DE2M+H=C3H5-T+C2H4                             +1.43000000E+035 -5.72200000E+000 +2.96590000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +8.96000000E+021 -2.33900000E+000 +1.08780000E+004 /
PLOG /                           +1.00000000E-003 +1.10000000E+040 -7.80100000E+000 +2.10770000E+004 /
PLOG /                           +1.00000000E-002 +6.28000000E+023 -2.86200000E+000 +1.23470000E+004 /
PLOG /                           +1.00000000E-002 +3.19000000E+046 -9.59500000E+000 +2.66120000E+004 /
PLOG /                           +1.00000000E-001 +1.50000000E+030 -4.62700000E+000 +1.74660000E+004 /
PLOG /                           +1.00000000E-001 +2.62000000E+053 -1.14260000E+001 +3.41050000E+004 /
PLOG /                           +1.00000000E+000 +6.65000000E+036 -6.43100000E+000 +2.36590000E+004 /
PLOG /                           +1.00000000E+000 +7.48000000E+057 -1.25010000E+001 +4.16340000E+004 /
PLOG /                           +1.00000000E+001 +4.35000000E+039 -7.11800000E+000 +2.84430000E+004 /
PLOG /                           +1.00000000E+001 +4.60000000E+057 -1.22330000E+001 +4.76570000E+004 /
PLOG /                           +1.00000000E+002 +1.43000000E+035 -5.72200000E+000 +2.96590000E+004 /
PLOG /                           +1.00000000E+002 +4.22000000E+051 -1.03410000E+001 +5.12300000E+004 /
B13DE2M+H=C2H5+C3H4-A                             +1.91000000E+053 -1.09330000E+001 +5.38940000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +3.49000000E+033 -5.93900000E+000 +2.11750000E+004 /
PLOG /                           +1.00000000E-003 +3.03000000E+031 -5.34400000E+000 +2.17860000E+004 /
PLOG /                           +1.00000000E-002 +3.96000000E+042 -8.52100000E+000 +2.71780000E+004 /
PLOG /                           +1.00000000E-002 +1.10000000E+045 -9.20200000E+000 +3.08950000E+004 /
PLOG /                           +1.00000000E-001 +2.08000000E+052 -1.11780000E+001 +3.58020000E+004 /
PLOG /                           +1.00000000E-001 +1.04000000E+057 -1.24430000E+001 +4.22700000E+004 /
PLOG /                           +1.00000000E+000 +1.14000000E+059 -1.29160000E+001 +4.44710000E+004 /
PLOG /                           +1.00000000E+000 +5.40000000E+063 -1.40870000E+001 +5.28220000E+004 /
PLOG /                           +1.00000000E+001 +1.06000000E+060 -1.29970000E+001 +5.10550000E+004 /
PLOG /                           +1.00000000E+001 +2.44000000E+063 -1.37130000E+001 +6.04590000E+004 /
PLOG /                           +1.00000000E+002 +1.91000000E+053 -1.09330000E+001 +5.38940000E+004 /
PLOG /                           +1.00000000E+002 +3.11000000E+055 -1.12760000E+001 +6.39010000E+004 /
B13DE2M+H=C2H5+C3H4-P                             +1.62000000E+064 -1.45120000E+001 +5.17730000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +2.24000000E+035 -6.73900000E+000 +2.05210000E+004 /
PLOG /                            1.00E-03               5.05E+37              -7.608  22229    /
PLOG /                           +1.00000000E-003 +7.94000000E+040 -8.51000000E+000 +2.40130000E+004 /
PLOG /                           +1.00000000E-002 +6.41000000E+034 -6.58700000E+000 +2.03350000E+004 /
PLOG /                            1.00E-02               5.39E+47              -10.463 29000    /
PLOG /                           +1.00000000E-002 +2.47000000E+045 -9.74900000E+000 +2.78930000E+004 /
PLOG /                           +1.00000000E-001 +7.46000000E+041 -8.56500000E+000 +2.55300000E+004 /
PLOG /                            1.00E-01               2.77E+56              -12.752 38931    /
PLOG /                           +1.00000000E-001 +3.74000000E+052 -1.16730000E+001 +3.52260000E+004 /
PLOG /                           +1.00000000E+000 +1.28000000E+052 -1.14010000E+001 +3.39380000E+004 /
PLOG /                            1.00E+00               2.61E+60              -13.603 48437    /
PLOG /                           +1.00000000E+000 +8.71000000E+058 -1.33010000E+001 +4.39010000E+004 /
PLOG /                           +1.00000000E+001 +7.30000000E+060 -1.37580000E+001 +4.33020000E+004 /
PLOG /                            1.00E+01               8.04E+56              -12.339 54299    /
PLOG /                           +1.00000000E+001 +3.11000000E+061 -1.38020000E+001 +5.20690000E+004 /
PLOG /                           +1.00000000E+002 +1.62000000E+064 -1.45120000E+001 +5.17730000E+004 /
PLOG /                            1.00E+02               5.98E+42              -8.172  53106    /
PLOG /                           +1.00000000E+002 +2.74000000E+058 -1.26950000E+001 +5.85480000E+004 /

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONMISC
!___________________________________________________________________________________________________________ 
AC5H10+OH<=>SC4H9+CH2O                            +2.00000000E+010 +0.00000000E+000 +4.00000000E+003 !\Author: KPS, THIS REACTION IS FROM CWS IC4H8 !\Ref: WARNING !\Comment: WARNING 
AC5H10+OH<=>AC5H10OH                              +1.00000000E+012 +0.00000000E+000 -1.04200000E+003 !\Author: KPS, THIS REACTION IS FROM JBS PENTANE !\Ref: WARNING !\Comment: WARNING 
AC5H10OH+O2<=>AO2C5H10OH                          +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: KPS, THIS REACTION IS FROM JBS PENTANE !\Ref: WARNING !\Comment: WARNING 
AO2C5H10OH=>C2H5COCH3+CH2O+OH                     +2.50000000E+010 +0.00000000E+000 +1.88600000E+004 !\Author: KPS, THIS REACTION IS FROM JBS PENTANE !\Ref: WARNING !\Comment: WARNING 
AC5H10+O<=>SC4H9+HCO                              +7.23000000E+005 +2.34000000E+000 -1.05000000E+003 !\Author: WARNING !\Ref: FROM LLNL C8-C16 N-ALKANES MECH !\Comment: WARNING 
AC5H10+O<=>IC3H7+CH3CO                            +7.23000000E+005 +2.34000000E+000 -1.05000000E+003 !\Author: WARNING !\Ref: FROM LLNL C8-C16 N-ALKANES MECH !\Comment: WARNING 
AC5H10+O<=>IC4H9+HCO                              +7.23000000E+005 +2.34000000E+000 -1.05000000E+003 !\Author: WARNING !\Ref: FROM LLNL C8-C16 N-ALKANES MECH !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
AC5H9-C+HO2<=>AC5H9O-C+OH                         +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: KPS, THIS REACTION IS FROM CWS IC4H8 !\Ref: WARNING !\Comment: WARNING 
AC5H9-C+CH3O2<=>AC5H9O-C+CH3O                     +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: KPS, THIS REACTION IS FROM CWS IC4H8 !\Ref: WARNING !\Comment: WARNING 
AC5H9-C+C2H5O2<=>AC5H9O-C+C2H5O                   +9.64000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: KPS, THIS REACTION IS FROM JBS PENTANE !\Ref: WARNING !\Comment: WARNING 
CH3CHO+C3H5-T<=>AC5H9O-C                          +9.45000000E+002 +2.67000000E+000 +6.85000000E+003 !\Author: J. P. ORME, H. J. CURRAN,* AND J. M. SIMMIE J. PHYS. CHEM. A 2006, 110, 114-131. INTERNAL ADDITION TWO LARGE SPECIES !\Ref: WARNING !\Comment: WARNING 
AC5H9-C+HO2<=>B2E2M1OJ+OH                         +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: FROM LLNL C8-C16 N-ALKANES MECH !\Comment: WARNING 
AC5H9-C+CH3O2<=>B2E2M1OJ+CH3O                     +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: FROM LLNL C8-C16 N-ALKANES MECH !\Comment: WARNING 
CH2O+C4H72-2<=>B2E2M1OJ                           +8.80000000E+003 +2.48000000E+000 +6.10000000E+003 !\Author: WARNING !\Ref: J. P. ORME, H. J. CURRAN,* AND J. M. SIMMIE J. PHYS. CHEM. A 2006, 110, 114-131. INTERNAL ADDITION TWO LARGE SPECIES !\Comment: WARNING 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: AC5H10
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: B13DE2M
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C4H5-I+CH3=B13DE2M                                +3.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
B13DE2M=B13DE2MJ+H                                +8.05000000E+056 -1.15200000E+001 +1.21820000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +9.16000000E+074 -1.76100000E+001 +1.20370000E+005 /
PLOG /                           +1.00000000E-002 +2.98000000E+054 -1.23200000E+001 +1.01200000E+005 /
PLOG /                           +1.00000000E-001 +1.73000000E+070 -1.60100000E+001 +1.19510000E+005 /
PLOG /                           +1.00000000E-001 +1.38000000E+043 -8.87000000E+000 +9.63650000E+004 /
PLOG /                           +1.00000000E+000 +1.08000000E+071 -1.59100000E+001 +1.24860000E+005 /
PLOG /                           +1.00000000E+000 +6.28000000E+042 -8.51000000E+000 +9.80040000E+004 /
PLOG /                           +1.00000000E+001 +6.40000000E+065 -1.42190000E+001 +1.24980000E+005 /
PLOG /                           +1.00000000E+001 +4.73000000E+035 -6.26000000E+000 +9.56440000E+004 /
PLOG /                           +1.00000000E+002 +8.05000000E+056 -1.15200000E+001 +1.21820000E+005 /
PLOG /                           +1.00000000E+002 +4.35000000E+028 -4.06000000E+000 +9.31140000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
B13DE2M+H<=>B13DE2MJ+H2                           +3.64400000E+005 +2.45500000E+000 +4.36120000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
B13DE2M+O2<=>B13DE2MJ+HO2                         +5.96000000E+019 -1.67000000E+000 +4.61921000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
B13DE2M+OH<=>B13DE2MJ+H2O                         +4.46000000E+006 +2.07200000E+000 +1.05080000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
B13DE2M+HO2<=>B13DE2MJ+H2O2                       +3.07000000E-002 +4.40300000E+000 +1.35472000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
B13DE2M+CH3<=>B13DE2MJ+CH4                        +5.43000000E+001 +3.27000000E+000 +7.15000000E+003 !\Author: SN !\Ref: PRIMARY ALLYLIC RATE !RULE !\Comment: WARNING 
B13DE2M+CH3O2<=>B13DE2MJ+CH3O2H                   +7.68000000E-002 +4.40300000E+000 +1.35472000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C2H3+C3H4-A<=>B13DE2MJ                            +9.45000000E+002 +2.67000000E+000 +6.85000000E+003 !\Author: WARNING !\Ref: J. P. ORME, H. J. CURRAN,* AND J. M. SIMMIE J. PHYS. CHEM. A 2006, 110, 114-131. INTERNAL ADDITION TWO LARGE SPECIES !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONH
!___________________________________________________________________________________________________________ 
B13DE2M+H<=>CC5H9-B                               +4.24000000E+011 +5.10000000E-001 +1.23000000E+003 !\Author: WARNING !\Ref: H.J. CURRAN, INT. J. CHEM. KIN. 38(4)(2006) 250-275. EXTERNAL H ATOM ADDITION TO PROPENE !\Comment: WARNING 
B13DE2M+H<=>CC5H9-A                               +2.50000000E+011 +5.10000000E-001 +2.62000000E+003 !\Author: WARNING !\Ref: H.J. CURRAN, INT. J. CHEM. KIN. 38(4)(2006) 250-275. INTERNAL H ATOM ADDITION TO PROPENE !\Comment: WARNING 
B12DE3M+H<=>CC5H9-B                               +4.24000000E+011 +5.10000000E-001 +1.23000000E+003 !\Author: WARNING !\Ref: H.J. CURRAN, INT. J. CHEM. KIN. 38(4)(2006) 250-275. EXTERNAL H ATOM ADDITION TO PROPENE !\Comment: WARNING 
C2H3+C3H6<=>CC5H9-A                               +9.45000000E+002 +2.67000000E+000 +6.85000000E+003 !\Author: WARNING !\Ref: J. P. ORME, H. J. CURRAN,* AND J. M. SIMMIE J. PHYS. CHEM. A 2006, 110, 114-131. INTERNAL ADDITION TWO LARGE SPECIES !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
!DONG 220105!C2H3+CH3COCH3<=>CC5H9O-B                          +9.45000000E+002 +2.67000000E+000 +6.85000000E+003 !\Author: WARNING !\Ref: !J. P. ORME, H. J. CURRAN,* AND J. M. SIMMIE J. PHYS. CHEM. A 2006, 110, 114-131. INTERNAL ADDITION TWO LARGE SPECIES\COMMENT !\Comment: WARNING 
CC5H9O-B<=>C2H3COCH3+CH3                          +4.38000000E+016 -8.90000000E-001 +1.65300000E+004 !C5H9O2-4<=>SC3H5CHO+CH3\Author: WARNING !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 
CC5H9O-B<=>C2H3+CH3COCH3                          +8.52000000E+025 -3.61000000E+000 +2.38634000E+004 !C5H9O2-4<=>CH3CHO+C3H5-S\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325-3346 !\Comment: WARNING 
!
!DONG 220103!CC5H9-B+HO2<=>B2E3M1OJ+OH                         +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 220103!CC5H9-B+CH3O2<=>B2E3M1OJ+CH3O                     +7.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 220103!CH2O+IC4H7-I1<=>B2E3M1OJ                          +8.80000000E+003 +2.48000000E+000 +6.10000000E+003 !\Author: WARNING !\Ref: J. P. ORME, H. J. CURRAN,* AND J. M. SIMMIE J. PHYS. CHEM. A 2006, 110, 114-131. INTERNAL ADDITION TWO LARGE SPECIES !\Comment: WARNING 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: B13DE2M
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: TC4H8CHO
!\MECHCOMMENTS: KPS, 22 / 07 / 2015 NOT SURE WHY THIS IS INCLUDED IN MECHANISM AS THERE ARE NO OBVIOUS FORMATION PATHWAYS
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
TC4H8CHO<=>IC3H5CHO+CH3                           +1.00000000E+013 +0.00000000E+000 +2.62900000E+004 !\Author: WARNING !\Ref: REVERSE ADDN. ACROSS DOUBLE BOND. FORWARD FROM THERMRXN. CURRAN 95 !\Comment: WARNING 
TC4H8CHO<=>IC4H8+HCO                              +8.52000000E+012 +0.00000000E+000 +2.00900000E+004 !\Author: WARNING !\Ref: REVERSE ADDN. ACROSS DOUBLE BOND. FORWARD FROM THERMRXN. CURRAN 95 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>RO2
!___________________________________________________________________________________________________________ 
TC4H8CHO+O2<=>O2C4H8CHO                           +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
O2C4H8CHO<=>O2HC4H8CO                             +2.16000000E+011 +0.00000000E+000 +1.53600000E+004 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
IC4H8O2H-T+CO<=>O2HC4H8CO                         +1.50000000E+011 +0.00000000E+000 +4.80900000E+003 !\Author: WARNING !\Ref: CURRAN ESTIMATE !\Comment: WARNING 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: TC4H8CHO
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: PC4H8CHO-1\PC4H8CHO-2\PC4H8CHO-3
!\MECHCOMMENTS: KPS, 22 / 07 / 2015 THESE SPECIES HAVE BEEN MOVED FROM KWS C6 / C7 MECHANISM. WE SHOULD DISCUSS.
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
!DONG 0824!PC4H9CHO+O<=>PC4H9CO+OH                           +5.94000000E+012 +0.00000000E+000 +1.86800000E+003 !\Author: WARNING !\Ref: !ANALOGY TO CH3CHO !\Comment: WARNING 
PC4H9CHO+O<=>PC4H9CO+OH                           +5.80000000E+012 +0.00000000E+000 +1.80000000E+003 !\Author: SD !\Ref: ANALOGY WITH CH3CHO+O !\Comment: NC3H7CHO+O<=>NC3H7CO+OH 
PC4H9CHO+O<=>PC4H8CHO-1+OH                        +1.44400000E+011 +2.30000000E-001 +2.97000000E+003 !\Author: SD !\Ref: ZHANG ET AL. !\Comment: NC3H7CHO+O<=>C3H6CHO-1+OH 
PC4H9CHO+O<=>PC4H8CHO-2+OH                        +2.81000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: NC3H7CHO+O<=>C3H6CHO-2+OH 
PC4H9CHO+O<=>PC4H8CHO-3+OH                        +2.81000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: NC3H7CHO+O<=>C3H6CHO-2+OH 
PC4H9CHO+O<=>PC4H8CHO-4+OH                        +3.71000000E+006 +2.40000000E+000 +5.50500000E+003 !\Author: SD !\Ref: ZHANG ET AL. !\Comment: NC3H7CHO+O<=>C3H6CHO-3+OH 

!DONG 0824!PC4H9CHO+H<=>PC4H9CO+H2                           +1.31000000E+005 +2.58000000E+000 +1.22000000E+003 !\Author: WARNING !\Ref: !ANALOGY TO CH3CHO !\Comment: WARNING 
PC4H9CHO+H<=>PC4H9CO+H2                           +8.46000000E+005 +2.30000000E+000 +1.54500000E+003 !\Author: SD !\Ref: J. MENDES, ET AL, J. PHYS. CHEM. A, 118(51)(2014), PP. 12089-12104 !\Comment: NC3H7CHO+H<=>NC3H7CO+H2 
PC4H9CHO+H<=>PC4H8CHO-1+H2                        +1.05000000E+005 +2.50000000E+000 +5.04100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: NC3H7CHO+H<=>C3H6CHO-1+H2 
PC4H9CHO+H<=>PC4H8CHO-2+H2                        +1.30000000E+006 +2.40000000E+000 +4.47100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: NC3H7CHO+H<=>C3H6CHO-2+H2 
PC4H9CHO+H<=>PC4H8CHO-3+H2                        +1.30000000E+006 +2.40000000E+000 +4.47100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: NC3H7CHO+H<=>C3H6CHO-2+H2 
PC4H9CHO+H<=>PC4H8CHO-4+H2                        +2.63000000E+005 +2.69000000E+000 +6.45000000E+003 !\Author: SD !\Ref: M. PELUCCHI,COMBUST. FLAME 162(2015) 265-286 !\Comment: NC3H7CHO+H<=>C3H6CHO-3+H2 

!DONG 0824!PC4H9CHO+OH<=>PC4H9CO+H2O                         +3.73000000E+004 +2.60000000E+000 -2.30000000E+003 !\Author: WARNING !\Ref: !ANALOGY TO CH3CHO !\Comment: WARNING 
!DONG 0824!PC4H9CHO+OH<=>PC4H8CHO-1+H2O                      +5.52000000E+002 +3.12000000E+000 -1.17600000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!DONG 0824!PC4H9CHO+OH<=>PC4H8CHO-2+H2O                      +4.68000000E+007 +1.61000000E+000 -3.50000000E+001 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!DONG 0824!PC4H9CHO+OH<=>PC4H8CHO-3+H2O                      +4.68000000E+007 +1.61000000E+000 -3.50000000E+001 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!DONG 0824!PC4H9CHO+OH<=>PC4H8CHO-4+H2O                      +5.28000000E+009 +9.70000000E-001 +1.58600000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
PC4H9CHO+OH<=>PC4H9CO+H2O                         +3.73000000E+004 +2.60000000E+000 -2.30000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: NC3H7CHO+OH<=>NC3H7CO+H2O 
PC4H9CHO+OH<=>PC4H8CHO-1+H2O                      +4.72000000E+002 +3.15000000E+000 -3.05004500E+003 !\Author: WARNING !\Ref: C.-W. ZHOU, PHYS. CHEM. CHEM. PHYS. 13(2011) 11175-11192. !\Comment: NC3H7CHO+OH<=>C3H6CHO-1+H2O 
PC4H9CHO+OH<=>PC4H8CHO-2+H2O                      +7.05500000E+009 +9.35000000E-001 +5.04700000E+002 !\Author: WARNING !\Ref: R. SIVARAMAKRISHNAN, J. V. MICHAEL, J. PHYS. CHEM. A, 113, 2009, 5047-5060 !\Comment: NC3H7CHO+OH<=>C3H6CHO-2+H2O 
PC4H9CHO+OH<=>PC4H8CHO-3+H2O                      +7.05500000E+009 +9.35000000E-001 +5.04700000E+002 !\Author: WARNING !\Ref: R. SIVARAMAKRISHNAN, J. V. MICHAEL, J. PHYS. CHEM. A, 113, 2009, 5047-5060 !\Comment: NC3H7CHO+OH<=>C3H6CHO-2+H2O 
PC4H9CHO+OH<=>PC4H8CHO-4+H2O                      +1.36600000E+007 +1.81300000E+000 +8.68400000E+002 !\Author: WARNING !\Ref: R. SIVARAMAKRISHNAN, J. V. MICHAEL, J. PHYS. CHEM. A, 113, 2009, 5047-5060 !\Comment: NC3H7CHO+OH<=>C3H6CHO-3+H2O 

!DONG 0824!PC4H9CHO+CH3<=>PC4H9CO+CH4                        +7.08000000E-004 +4.58000000E+000 +1.96600000E+003 !\Author: WARNING !\Ref: !ANALOGY TO CH3CHO !\Comment: WARNING 
PC4H9CHO+CH3<=>PC4H9CO+CH4                        +2.99000000E+000 +3.60000000E+000 +4.33800000E+003 !\Author: SD !\Ref: J. MENDES, ET AL, J. PHYS. CHEM. A, 118(51)(2014), PP. 12089-12104 !\Comment: NC3H7CHO+CH3<=>NC3H7CO+CH4 
PC4H9CHO+CH3<=>PC4H8CHO-1+CH4                     +6.16000000E-001 +3.60000000E+000 +6.58100000E+003 !\Author: SD !\Ref: J. MENDES, ET AL, J. PHYS. CHEM. A, 118(51)(2014), PP. 12089-12104 !\Comment: NC3H7CHO+CH3<=>C3H6CHO-1+CH4 
PC4H9CHO+CH3<=>PC4H8CHO-2+CH4                     +1.51000000E+000 +3.46000000E+000 +5.48100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: NC3H7CHO+CH3<=>C3H6CHO-2+CH4 
PC4H9CHO+CH3<=>PC4H8CHO-3+CH4                     +1.51000000E+000 +3.46000000E+000 +5.48100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: NC3H7CHO+CH3<=>C3H6CHO-2+CH4 
PC4H9CHO+CH3<=>PC4H8CHO-4+CH4                     +1.05000000E-001 +4.00000000E+000 +9.25300000E+003 !\Author: SD !\Ref: J. MENDES, ET AL, J. PHYS. CHEM. A, 118(51)(2014), PP. 12089-12104 !\Comment: NC3H7CHO+CH3<=>C3H6CHO-3+CH4 

!DONG 0824!PC4H9CHO+HO2<=>PC4H9CO+H2O2                       +3.01000000E+012 +0.00000000E+000 +1.19200000E+004 !\Author: WARNING !\Ref: !ANALOGY TO CH3CHO !\Comment: WARNING 
!DONG 0824!PC4H9CHO+HO2<=>PC4H8CHO-1+H2O2                    +3.44000000E+012 +5.00000000E-002 +1.78800000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!DONG 0824!PC4H9CHO+HO2<=>PC4H8CHO-2+H2O2                    +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!DONG 0824!PC4H9CHO+HO2<=>PC4H8CHO-3+H2O2                    +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!DONG 0824!PC4H9CHO+HO2<=>PC4H8CHO-4+H2O2                    +2.37900000E+004 +2.55000000E+000 +1.64900000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!DONG 0910!PC4H9CHO+HO2<=>PC4H9CO+H2O2                       +4.65000000E-005 +5.00000000E+000 +3.50400000E+003 !\Author: SD !\Ref: J. MENDES, ET AL, J. PHYS. CHEM. A, 118(51)(2014), PP. 12089-12104 !\Comment: NC3H7CHO+HO2<=>NC3H7CO+H2O2 
PC4H9CHO+HO2<=>PC4H9CO+H2O2                       +7.00000000E-005 +5.00000000E+000 +3.50400000E+003 !*1.5 \Author: SD !\Ref: J. MENDES, ET AL, J. PHYS. CHEM. A, 118(51)(2014), PP. 12089-12104 !\Comment: NC3H7CHO+HO2<=>NC3H7CO+H2O2 


PC4H9CHO+HO2<=>PC4H8CHO-1+H2O2                    +7.74830000E+012 +0.00000000E+000 +1.82480000E+004 !\Author: SD !\Ref: ALTARAWNEH, MOHAMMEDNOOR, ET AL. JOURNAL OF COMPUTATIONAL CHEMISTRY 32.8(2011) !\Comment: NC3H7CHO+HO2<=>C3H6CHO-1+H2O2 
PC4H9CHO+HO2<=>PC4H8CHO-2+H2O2                    +7.87600000E+001 +3.37000000E+000 +1.37200000E+004 !\Author: SD !\Ref: J. AGUILERA-IPARRAGUIRRE, H. J. CURRAN, W. KLOPPER, J. M. SIMMIE, J. PHYS. CHEM. A, 112, 2008, 7047-7054 !\Comment: NC3H7CHO+HO2<=>C3H6CHO-2+H2O2 
PC4H9CHO+HO2<=>PC4H8CHO-3+H2O2                    +7.87600000E+001 +3.37000000E+000 +1.37200000E+004 !\Author: SD !\Ref: J. AGUILERA-IPARRAGUIRRE, H. J. CURRAN, W. KLOPPER, J. M. SIMMIE, J. PHYS. CHEM. A, 112, 2008, 7047-7054 !\Comment: NC3H7CHO+HO2<=>C3H6CHO-2+H2O2 
PC4H9CHO+HO2<=>PC4H8CHO-4+H2O2                    +1.04000000E+001 +3.59000000E+000 +1.56000000E+004 !\Author: SD !\Ref: 60% OF NEW RATE !\Comment: NC3H7CHO+HO2<=>C3H6CHO-3+H2O2 

!DONG 0824!PC4H9CHO+O2<=>PC4H9CO+HO2                         +3.01000000E+013 +0.00000000E+000 +3.91500000E+004 !\Author: WARNING !\Ref: !ANALOGY TO CH3CHO !\Comment: WARNING 
PC4H9CHO+O2<=>PC4H9CO+HO2                         +9.00000000E+012 +5.00000000E-001 +4.22000000E+004 !\Author: SD !\Ref: ANALOGY TO CH3CHO !\Comment: NC3H7CHO+O2<=>NC3H7CO+HO2 
PC4H9CHO+O2<=>PC4H8CHO-1+HO2                      +3.03000000E+013 +0.00000000E+000 +4.59000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: NC3H7CHO+O2<=>C3H6CHO-1+HO2 
PC4H9CHO+O2<=>PC4H8CHO-2+HO2                      +2.00000000E+013 +0.00000000E+000 +4.98000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: NC3H7CHO+O2<=>C3H6CHO-2+HO2
PC4H9CHO+O2<=>PC4H8CHO-3+HO2                      +2.00000000E+013 +0.00000000E+000 +4.98000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: NC3H7CHO+O2<=>C3H6CHO-2+HO2
PC4H9CHO+O2<=>PC4H8CHO-4+HO2                      +3.00000000E+013 +0.00000000E+000 +5.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: NC3H7CHO+O2<=>C3H6CHO-3+HO2 

PC4H9CHO+CH3O<=>PC4H9CO+CH3OH                     +1.69000000E+005 +2.04380000E+000 +2.35320000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: NC3H7CHO+CH3O<=>NC3H7CO+CH3OH 
DUP
PC4H9CHO+CH3O<=>PC4H9CO+CH3OH                     +9.62000000E+003 +2.50050000E+000 +1.58950000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: NC3H7CHO+CH3O<=>NC3H7CO+CH3OH 
DUP
PC4H9CHO+CH3O<=>PC4H8CHO-1+CH3OH                  +8.64000000E+011 +0.00000000E+000 +4.57000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: NC3H7CHO+CH3O<=>C3H6CHO-1+CH3OH 
PC4H9CHO+CH3O<=>PC4H8CHO-2+CH3OH                  +3.00000000E+011 +0.00000000E+000 +7.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: NC3H7CHO+CH3O<=>C3H6CHO-2+CH3OH 
PC4H9CHO+CH3O<=>PC4H8CHO-3+CH3OH                  +3.00000000E+011 +0.00000000E+000 +7.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: NC3H7CHO+CH3O<=>C3H6CHO-2+CH3OH 
PC4H9CHO+CH3O<=>PC4H8CHO-4+CH3OH                  +1.50000000E+011 +0.00000000E+000 +7.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: NC3H7CHO+CH3O<=>C3H6CHO-3+CH3OH 

!DONG 0824!PC4H9CHO+CH3O2<=>PC4H9CO+CH3O2H                   +3.01000000E+012 +0.00000000E+000 +1.19200000E+004 !\Author: WARNING !\Ref: !ANALOGY TO CH3CHO !\Comment: WARNING 
!DONG 0824!PC4H9CHO+CH3O2<=>PC4H8CHO-1+CH3O2H                +3.44000000E+012 +5.00000000E-002 +1.78800000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!DONG 0824!PC4H9CHO+CH3O2<=>PC4H8CHO-2+CH3O2H                +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!DONG 0824!PC4H9CHO+CH3O2<=>PC4H8CHO-3+CH3O2H                +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!DONG 0824!PC4H9CHO+CH3O2<=>PC4H8CHO-4+CH3O2H                +2.37900000E+004 +2.55000000E+000 +1.64900000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
PC4H9CHO+CH3O2<=>PC4H9CO+CH3O2H                   +3.21790000E-001 +3.94470000E+000 +9.50310000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: NC3H7CHO+CH3O2<=>NC3H7CO+CH3O2H 
DUP
PC4H9CHO+CH3O2<=>PC4H9CO+CH3O2H                   +4.99000000E-006 +4.97560000E+000 +5.26820000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: NC3H7CHO+CH3O2<=>NC3H7CO+CH3O2H 
DUP
PC4H9CHO+CH3O2<=>PC4H8CHO-1+CH3O2H                +5.16000000E+012 +5.00000000E-002 +1.79000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: NC3H7CHO+CH3O2<=>C3H6CHO-1+CH3O2H 
PC4H9CHO+CH3O2<=>PC4H8CHO-2+CH3O2H                +1.01800000E+001 +3.58000000E+000 +1.48100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: NC3H7CHO+CH3O2<=>C3H6CHO-2+CH3O2H
PC4H9CHO+CH3O2<=>PC4H8CHO-3+CH3O2H                +1.01800000E+001 +3.58000000E+000 +1.48100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: NC3H7CHO+CH3O2<=>C3H6CHO-2+CH3O2H
PC4H9CHO+CH3O2<=>PC4H8CHO-4+CH3O2H                +6.93000000E-001 +3.97000000E+000 +1.83000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: NC3H7CHO+CH3O2<=>C3H6CHO-3+CH3O2H 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
NC3H7+CH2CO<=>PC4H9CO                             +3.33000000E+002 +2.73000000E+000 +1.39539000E+004 !\Author: KPS !\Ref: M. PELUCCHI, COMBUST. FLAME., 2015, 162,265-26 !\Comment: UPDATED BASED ON INPUT FROM F. BATTIN LECLERC, 10 / 06 / 2016 
PC4H9CO<=>PC4H9+CO                                +5.78000000E+014 +0.00000000E+000 +1.68435000E+004 !\Author: JB !\Ref: J. M. SIMMIE, J. PHYS. CHEM. A, 116, 2012, 4528-4538 !\Comment: SAME RATE CONSTANT USED IN PELUCCHI ET AL., COMBUST. FLAME, 162, 2015, 265-286 
C2H5+C2H3CHO<=>PC4H8CHO-1                         +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
CH3+AC3H5CHO<=>PC4H8CHO-2                         +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!DONG 0910!C4H8-1+HCO<=>PC4H8CHO-2                           +1.00000000E+011 +0.00000000E+000 +6.00000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
PC4H8CHO-2<=>C4H8-1+HCO                           +1.59000000E+013 +6.30000000E-002 +2.40863000E+004 !C3H6CHO-2<=>C3H6+HCO\Author: SD !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325? 3346 !\Comment: WARNING 

C3H6+CH2CHO<=>PC4H8CHO-3                          +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 

!DONG 0909!C2H4+CH2CH2CHO<=>PC4H8CHO-4                       +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 

PC4H8CHO-4=PC4H9CO                                     1.91E+10    0.000    7700 !WAGNON1@LLNL.GOV! ESTIMATE AS 1,5 PT H-SHIFT TABLE 4, E-3.7KCAL/MOL FOR DH, WANG J.PHYS.CHEM.A 119 (2015) 7205-7221

PC4H8CHO-4=CH2CH2CHO+C2H4                              3.24E+12    0.323   28808 !WAGNON1@LLNL.GOV! AS C5H11-1=NC3H7+C2H4 NUIG PLOG FOR COMANDINI CHEM.PHYS.LETT. 552 (2012) 20-26
PLOG /  1.00E-01  4.41E+03    2.192   18827 / 
PLOG /  1.00E+00  8.06E+20   -2.628   29232 / 
PLOG /  1.00E+01  2.17E+28   -4.578   34864 / 
PLOG /  1.00E+02  6.47E+24   -3.383   34388 / 
PLOG /  1.00E+03  2.34E+17   -1.123   31176 / 

C3H5-A+HCO<=>AC3H5CHO                             +1.81000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 

AC3H5CHO+OH=AC3H5CO+H2O                                3.73E+04    2.600   -2300 !KUKKADAPU1@LLNL.GOV! REVIEW OF ALDEHYDE+OH=RCO+H2O
AC3H5CHO+OH=CH2CHCHCHO+H2O                             3.12E+06    2.000    -298 
AC3H5CHO+HO2=AC3H5CO+H2O2                              3.00E+12    0.000   11920 
AC3H5CHO+HO2=CH2CHCHCHO+H2O2                           9.63E+03    2.600   13910 
AC3H5CHO+CH3O2=AC3H5CO+CH3O2H                          1.00E+12    0.000   11920 
AC3H5CHO+CH3O2=CH2CHCHCHO+CH3O2H                       1.99E+12    0.000   17050 
AC3H5CO=C3H5-A+CO                                      6.20E+15   -1.090    -330 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>RO2
!___________________________________________________________________________________________________________ 
!DONG 0824!PC4H8CHO-1+O2<=>PC4H8CHO-1O2                      +1.00000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: JB !\Ref: ESTIMATED BY JB !\Comment: WARNING 
PC4H8CHO-1+O2<=>PC4H8CHO-1O2                      +6.02200000E+023 -3.14400000E+000 +5.22971800E+003 !\Author: WARNING !\Ref: WARNING !\Comment: C3H6CHO-1+O2<=>C3H6CHO-1O2 
PC4H8CHO-1+O2=>NC3H7CHO+CO+OH                     +1.79100000E+014 -6.00000000E-001 +1.01200000E+004 !\Author: WARNING !\Ref: J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107(19), 3778-3791 !\Comment: C3H6CHO-1+O2=>C2H5CHO+CO+OH 
PC4H8CHO-2+O2<=>PC4H8CHO-2O2                      +3.48700000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: JB !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL 
PC4H8CHO-3+O2<=>PC4H8CHO-3O2                      +3.48700000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: JB !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL 
PC4H8CHO-4+O2<=>PC4H8CHO-4O2                      +6.86500000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: JB !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>QOOH
!___________________________________________________________________________________________________________ 
!DONG 0618

PC4H8CHO-1O2<=>PC4H8COQ1                          +3.32900000E+004 +1.55500000E+000 +1.32711960E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PC4H8CHO-1O2<=>PC4H7CHOQ1-3                       +1.43900000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: SHARMA !\Comment: A FACTOR REVALUED 20140425 KWZ 4.795E+006 1.400 20800.0 

PC4H8CHO-2O2<=>PC4H8COQ2                          +2.86000000E+016 -1.67000000E+000 +1.22100000E+004 !\Author: WARNING !\Ref: J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107(19), 3778-3791 !\Comment: WARNING 
PC4H8CHO-2O2<=>PC4H7CHOQ2-1                       +1.71600000E+009 +9.00000000E-001 +2.45000000E+004 !\Author: WARNING !\Ref: SHARMA !\Comment: A FACTOR REVALUED 20140425 KWZ 8.580E+008 0.900 29500.0 
PC4H8CHO-2O2<=>PC4H7CHOQ2-4                       +1.43900000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: SHARMA !\Comment: SC4H9O2<=>C4H8OOH2-4 

PC4H8CHO-3O2<=>PC4H8COQ3                          +4.11100000E+005 +1.50000000E+000 +8.00000000E+003 !\Author: WARNING !\Ref: SHARMA !\Comment: A FACTOR REVALUED 20140425 KWZ 4.111E+005 1.500 20000.0 
PC4H8CHO-3O2<=>PC4H7CHOQ3-1                       +1.36000000E+007 +1.30000000E+000 +1.32000000E+004 !\Author: WARNING !\Ref: SHARMA !\Comment: A FACTOR REVALUED 20140425 KWZ 6.798E+006 1.300 18200.0 

!PC4H8CHO-4O2

PC4H8COQ1=>NC3H7CHO+OH+CO                         +1.49400000E+013 +1.53000000E-001 +1.01432140E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PC4H8COQ2<=>C4H8OOH2-1+CO                         +5.78000000E+014 +0.00000000E+000 +1.68435100E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PC4H8COQ3<=>C4H8OOH2-4+CO                         +5.78000000E+014 +0.00000000E+000 +1.68435100E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH<=>CYCETH+OH
!___________________________________________________________________________________________________________ 
PC4H7CHOQ1-3<=>CH3CYC3H4OCHO+OH                   +2.44000000E+009 +7.80000000E-001 +1.80000000E+004 !\Author: WARNING !\Ref: VILLANO(FROM KUIWEN'S MECH) !\Comment: WARNING 

PC4H7CHOQ2-1<=>C2H5CYC2H2OCHO+OH                  +1.05000000E+010 +6.80000000E-001 +1.69640000E+004 !\Author: WARNING !\Ref: JUDIT ZADOR,STEPHEN J. KLIPPENSTEIN,AND JAMES A. MILLER J. PHYS. CHEM. A 2011, 115, 10218 C10225 !\Comment: WARNING 

PC4H7CHOQ2-4<=>CYC3H5OCH2CHO+OH                   +2.44000000E+009 +7.80000000E-001 +1.80000000E+004 !\Author: WARNING !\Ref: VILLANO(FROM KUIWEN'S MECH) !\Comment: WARNING

PC4H7CHOQ3-1<=>CH3CYC3H4OCHO+OH                   +2.59000000E+009 +6.90000000E-001 +2.10000000E+004 !\Author: WARNING !\Ref: VILLANO(FROM KUIWEN'S MECH) !\Comment: WARNING
!
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: CYCETH_DECOMPOSITION
!___________________________________________________________________________________________________________ 
C2H5CYC2H2OCHO+OH=>H2O+C2H5CHCO+HCO               +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
CH3CYC3H4OCHO+OH=>H2O+C3H6+CO+HCO                 +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
CYC3H5OCH2CHO+OH=>H2O+C2H4+CO+CH2CHO              +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C2H5CYC2H2OCHO+HO2=>H2O2+C2H5CHCO+HCO             +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
CH3CYC3H4OCHO+HO2=>H2O2+C3H6+CO+HCO               +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
CYC3H5OCH2CHO+HO2=>H2O2+C2H4+CO+CH2CHO            +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>ALKENE+HO2
!___________________________________________________________________________________________________________ 
PC4H8CHO-1O2<=>C4H7CHO-2+HO2                      +2.88500000E+009 +9.30000000E-001 +2.98000000E+004 !\Author: JB !\Ref: J. BUGLER, K. P. SOMERS, E. J. SILKE, H. J. CURRAN, J. PHYS. CHEM. A, 119, 2015, 7510-7527 !\Comment: RATE RULE FOR CONCERTED ELIMINATION 
PC4H8CHO-2O2<=>C4H7CHO-2+HO2                      +2.88500000E+009 +9.30000000E-001 +2.98000000E+004 !\Author: JB !\Ref: J. BUGLER, K. P. SOMERS, E. J. SILKE, H. J. CURRAN, J. PHYS. CHEM. A, 119, 2015, 7510-7527 !\Comment: RATE RULE FOR CONCERTED ELIMINATION 
PC4H8CHO-2O2<=>C4H7CHO-3+HO2                      +2.88500000E+009 +9.30000000E-001 +2.98000000E+004 !\Author: JB !\Ref: J. BUGLER, K. P. SOMERS, E. J. SILKE, H. J. CURRAN, J. PHYS. CHEM. A, 119, 2015, 7510-7527 !\Comment: RATE RULE FOR CONCERTED ELIMINATION 
PC4H8CHO-3O2<=>C4H7CHO-3+HO2                      +2.88500000E+009 +9.30000000E-001 +2.98000000E+004 !\Author: JB !\Ref: J. BUGLER, K. P. SOMERS, E. J. SILKE, H. J. CURRAN, J. PHYS. CHEM. A, 119, 2015, 7510-7527 !\Comment: RATE RULE FOR CONCERTED ELIMINATION 
PC4H8CHO-3O2<=>C4H7CHO-4+HO2                      +2.88500000E+009 +9.30000000E-001 +2.98000000E+004 !\Author: JB !\Ref: J. BUGLER, K. P. SOMERS, E. J. SILKE, H. J. CURRAN, J. PHYS. CHEM. A, 119, 2015, 7510-7527 !\Comment: RATE RULE FOR CONCERTED ELIMINATION 
PC4H8CHO-4O2<=>C4H7CHO-4+HO2                      +2.88500000E+009 +9.30000000E-001 +2.98000000E+004 !\Author: JB !\Ref: J. BUGLER, K. P. SOMERS, E. J. SILKE, H. J. CURRAN, J. PHYS. CHEM. A, 119, 2015, 7510-7527 !\Comment: RATE RULE FOR CONCERTED ELIMINATION 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONOH
!___________________________________________________________________________________________________________ 
C4H7CHO-2+H<=>C5D2Y1-1R+H2                        +1.34000000E+013 +0.00000000E+000 +3.30000000E+003 !\Author: WARNING !\Ref: BASED ON CH3CHO+H !\Comment: WARNING 
C4H7CHO-2+O<=>C5D2Y1-1R+OH                        +5.94000000E+012 +0.00000000E+000 +1.87000000E+003 !\Author: WARNING !\Ref: BASED ON CH3CHO+H !\Comment: WARNING 
C4H7CHO-2+OH<=>C5D2Y1-1R+H2O                      +3.73000000E+004 +2.60000000E+000 -2.30000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H7CHO-2+O2<=>C5D2Y1-1R+HO2                      +1.01000000E+013 +0.00000000E+000 +4.07000000E+004 !\Author: WARNING !\Ref: TAYLOR ET AL. 2.00E+03 !\Comment: WARNING 
C4H7CHO-2+HO2<=>C5D2Y1-1R+H2O2                    +3.01000000E+012 +0.00000000E+000 +1.19000000E+004 !\Author: WARNING !\Ref: BASED ON CH3CHO+HO2 !\Comment: WARNING 
C4H7CHO-2+CH3<=>C5D2Y1-1R+CH4                     +2.61000000E+006 +1.78000000E+000 +5.91000000E+003 !\Author: WARNING !\Ref: BASED ON CH3CHO+HO2 !\Comment: WARNING 
C4H7CHO-2+C2H3<=>C5D2Y1-1R+C2H4                   +1.74000000E+012 +0.00000000E+000 +8.44000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH ACETALDEHYDE. !\Comment: WARNING 
C4H7CHO-2+CH3O<=>C5D2Y1-1R+CH3OH                  +1.00000000E+012 +0.00000000E+000 +3.30000000E+003 !\Author: WARNING !\Ref: ANALOGY WITH CH3CHO+CH3O !\Comment: WARNING 
C4H7CHO-2+CH3O2<=>C5D2Y1-1R+CH3O2H                +3.01000000E+012 +0.00000000E+000 +1.19000000E+004 !\Author: WARNING !\Ref: BASED ON CH3CHO+HO2 !\Comment: WARNING 
C5D2Y1-1R=>CO+C4H71-1                             +3.47000000E+012 +6.31000000E-001 +2.72130000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H7CHO-3+O<=>C4H6CHO-3,1+OH                      +5.94000000E+012 +0.00000000E+000 +1.86800000E+003 !\Author: WARNING !\Ref: CURRAN, FIT TO NIST DATABASE !\Comment: WARNING 
C4H7CHO-3+H<=>C4H6CHO-3,1+H2                      +1.31000000E+005 +2.58000000E+000 +1.22000000E+003 !\Author: WARNING !\Ref: HARDING J. PHYS. CHEM., VOL. 114, NO. 2, 2010 !\Comment: WARNING 
C4H7CHO-3+OH<=>C4H6CHO-3,1+H2O                    +3.73000000E+004 +2.60000000E+000 -2.30000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H7CHO-3+HO2<=>C4H6CHO-3,1+H2O2                  +3.01000000E+012 +0.00000000E+000 +1.19200000E+004 !\Author: WARNING !\Ref: BAULCH ET AL., J. PHYS. CHEM. REF DATA, 21 !\Comment: WARNING 
C4H7CHO-3+CH3<=>C4H6CHO-3,1+CH4                   +7.08000000E-004 +4.58000000E+000 +1.96600000E+003 !\Author: WARNING !\Ref: GUPTE ET AL.,PROC COMBUST INST 31(2007) 167?74 !\Comment: WARNING 
C4H7CHO-3+O2<=>C4H6CHO-3,1+HO2                    +3.01000000E+013 +0.00000000E+000 +3.91500000E+004 !\Author: WARNING !\Ref: BAULCH ET AL., J. PHYS. CHEM. REF DATA, 21 !\Comment: WARNING 
C4H6CHO-3,1<=>C4H71-3+CO                          +1.68000000E+022 -2.83000000E+000 +1.61100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +9.83000000E+012 -1.44000000E+000 +1.01000000E+004 /
PLOG /                           +1.00000000E-001 +7.58000000E+014 -1.69000000E+000 +1.07790000E+004 /
PLOG /                           +1.00000000E+000 +6.27000000E+017 -2.22000000E+000 +1.23850000E+004 /
PLOG /                           +1.00000000E+001 +6.28000000E+020 -2.76000000E+000 +1.44430000E+004 /
PLOG /                           +1.00000000E+002 +1.68000000E+022 -2.83000000E+000 +1.61100000E+004 /
C4H7CHO-3+O<=>C4H6CHO-3,2+OH                      +6.47000000E-003 +4.54000000E+000 -4.66980000E+003 !\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C4H7CHO-3+H<=>C4H6CHO-3,2+H2                      +4.53300000E+005 +2.48700000E+000 +2.48324000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C4H7CHO-3+OH<=>C4H6CHO-3,2+H2O                    +2.02000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: WARNING !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: WARNING 
C4H7CHO-3+HO2<=>C4H6CHO-3,2+H2O2                  +7.82000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C4H7CHO-3+CH3<=>C4H6CHO-3,2+CH4                   +1.69400000E+002 +3.12000000E+000 +5.78000000E+003 !\Author: SD !\Ref: WANG, KUN, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.9(2015) !\Comment: WARNING 
C4H7CHO-3+O2<=>C4H6CHO-3,2+HO2                    +6.06000000E+001 +3.45000000E+000 +3.46000000E+004 !\Author: SD !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C4H6CHO-3,2+HO2<=>C4H6CHO-2,4O+OH                 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
C4H6CHO-2,4O<=>OVCCVCCVO+CH3                      +4.38000000E+016 -8.90000000E-001 +1.65300000E+004 !\Author: WARNING !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 
C4H7CHO-4+O<=>C4H7CO1-4+OH                        +5.94000000E+012 +0.00000000E+000 +1.86800000E+003 !\Author: WARNING !\Ref: CURRAN, FIT TO NIST DATABASE !\Comment: WARNING 
C4H7CHO-4+H<=>C4H7CO1-4+H2                        +1.31000000E+005 +2.58000000E+000 +1.22000000E+003 !\Author: WARNING !\Ref: HARDING J. PHYS. CHEM., VOL. 114, NO. 2, 2010 !\Comment: WARNING 
C4H7CHO-4+OH<=>C4H7CO1-4+H2O                      +3.73000000E+004 +2.60000000E+000 -2.30000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H7CHO-4+HO2<=>C4H7CO1-4+H2O2                    +3.01000000E+012 +0.00000000E+000 +1.19200000E+004 !\Author: WARNING !\Ref: BAULCH ET AL., J. PHYS. CHEM. REF DATA, 21 !\Comment: WARNING 
C4H7CHO-4+CH3<=>C4H7CO1-4+CH4                     +7.08000000E-004 +4.58000000E+000 +1.96600000E+003 !\Author: WARNING !\Ref: GUPTE ET AL.,PROC COMBUST INST 31(2007) 167?74 !\Comment: WARNING 
C4H7CHO-4+O2<=>C4H7CO1-4+HO2                      +3.01000000E+013 +0.00000000E+000 +3.91500000E+004 !\Author: WARNING !\Ref: BAULCH ET AL., J. PHYS. CHEM. REF DATA, 21 !\Comment: WARNING 
C4H7CO1-4<=>C3H5-A+CH2CO                          +2.50000000E+018 -2.61000000E+000 +1.66680000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.92000000E+009 -1.23000000E+000 +1.13740000E+004 /
PLOG /                           +1.00000000E-001 +4.59000000E+010 -1.33000000E+000 +1.16550000E+004 /
PLOG /                           +1.00000000E+000 +1.43000000E+013 -1.75000000E+000 +1.28130000E+004 /
PLOG /                           +1.00000000E+001 +2.48000000E+016 -2.36000000E+000 +1.48210000E+004 /
PLOG /                           +1.00000000E+002 +2.50000000E+018 -2.61000000E+000 +1.66680000E+004 /
C4H7CO1-4<=>C4H71-4+CO                            +1.68000000E+022 -2.83000000E+000 +1.61100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +9.83000000E+012 -1.44000000E+000 +1.01000000E+004 /
PLOG /                           +1.00000000E-001 +7.58000000E+014 -1.69000000E+000 +1.07790000E+004 /
PLOG /                           +1.00000000E+000 +6.27000000E+017 -2.22000000E+000 +1.23850000E+004 /
PLOG /                           +1.00000000E+001 +6.28000000E+020 -2.76000000E+000 +1.44430000E+004 /
PLOG /                           +1.00000000E+002 +1.68000000E+022 -2.83000000E+000 +1.61100000E+004 /
C4H7CHO-4+O<=>C4H6CHO-4,3+OH                      +6.47000000E-003 +4.54000000E+000 -4.66980000E+003 !\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C4H7CHO-4+H<=>C4H6CHO-4,3+H2                      +4.53300000E+005 +2.48700000E+000 +2.48324000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C4H7CHO-4+OH<=>C4H6CHO-4,3+H2O                    +2.02000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: WARNING !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: WARNING 
C4H7CHO-4+HO2<=>C4H6CHO-4,3+H2O2                  +7.82000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C4H7CHO-4+CH3<=>C4H6CHO-4,3+CH4                   +1.69400000E+002 +3.12000000E+000 +5.78000000E+003 !\Author: SD !\Ref: WANG, KUN, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.9(2015) !\Comment: WARNING 
C4H7CHO-4+O2<=>C4H6CHO-4,3+HO2                    +6.06000000E+001 +3.45000000E+000 +3.46000000E+004 !\Author: SD !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
!DONG 0504!C4H6CHO-4,3<=>C4H6+HCO                            +1.59000000E+013 +6.30000000E-002 +2.40863000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325? 3346 !\Comment: WARNING 
C4H61-3+HCO<=>C4H6CHO-4,3                            +2.88000000E+005 +2.13400000E+000 +7.12000000E+002 !C2H3+C4H6<=>C6H9-A \Author: WARNING !\Ref: BURAS, Z. J. ET AL, JPCA, 2015, !119, 7325-7338. !\Comment: WARNING 
!
C4H6CHO-4,3+HO2<=>C5H81KET53O+OH                  +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
!DONG 0515, DUP!C4H6CHO-4,3O<=>C2H3CHO+CH2CHO                     +5.51000000E+022 -2.76000000E+000 +1.39800000E+004 !\Author: WARNING !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 

!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: PC4H8CHO-1\PC4H8CHO-2\PC4H8CHO-3
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: NC3H7COCH3C2H5COC2H5
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CH3CO+NC3H7<=>NC3H7COCH3                          +2.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
NC3H7COCH3+OH<=>NC3H7COCH2+H2O                    +3.99000000E+002 +3.08000000E+000 +9.44000000E+002 !\Author: JB !\Ref: C. -W. ZHOU, J. M. SIMMIE, H. J. CURRAN, PHYS. CHEM. CHEM. PHYS., 13, 2011, 11175-11192 !\Comment: ETHYL METHYL KETONE RATE CONSTANT 
NC3H7COCH3+HO2<=>NC3H7COCH2+H2O2                  +4.14000000E-002 +4.07000000E+000 +1.62533000E+004 !\Author: JB !\Ref: J. MENDES, C. -W. ZHOU, H. J. CURRAN, J. PHYS. CHEM. A, 117, 2013, 4515-4525 !\Comment: N-PROPYL METHYL KETONE RATE CONSTANT 
NC3H7COCH3+OH<=>CH3CH2CHCOCH3+H2O                 +2.36000000E+002 +3.15000000E+000 +3.05040000E+003 !\Author: JB !\Ref: C. -W. ZHOU, J. M. SIMMIE, H. J. CURRAN, PHYS. CHEM. CHEM. PHYS., 13, 2011, 11175-11192 !\Comment: ETHYL METHYL KETONE RATE CONSTANT 
NC3H7COCH3+HO2<=>CH3CH2CHCOCH3+H2O2               +3.56000000E-001 +3.69000000E+000 +1.30996000E+004 !\Author: JB !\Ref: J. MENDES, C. -W. ZHOU, H. J. CURRAN, J. PHYS. CHEM. A, 117, 2013, 4515-4525 !\Comment: N-PROPYL METHYL KETONE RATE CONSTANT 
NC3H7COCH3+OH<=>CH3CHCH2COCH3+H2O                 +4.14000000E+002 +3.00000000E+000 +2.44000000E+003 !\Author: JB !\Ref: ESTIMATED BY JB !\Comment: WARNING 
NC3H7COCH3+HO2<=>CH3CHCH2COCH3+H2O2               +1.15000000E-003 +4.43000000E+000 +1.13648000E+004 !\Author: JB !\Ref: J. MENDES, C. -W. ZHOU, H. J. CURRAN, J. PHYS. CHEM. A, 117, 2013, 4515-4525 !\Comment: N-PROPYL METHYL KETONE RATE CONSTANT 
NC3H7COCH3+OH<=>CH2CH2CH2COCH3+H2O                +2.73200000E+007 +1.81300000E+000 +8.68400000E+002 !\Author: JB !\Ref: R. SIVARAMAKRISHNAN, J. V. MICHAEL, J. PHYS. CHEM. A, 113, 2009, 5047-5060 !\Comment: ASSUMED ANALOGOUS TO ALKANE. P1 RATE CONSTANT(SEE REFERENCE) 
NC3H7COCH3+HO2<=>CH2CH2CH2COCH3+H2O2              +4.44000000E-001 +3.88000000E+000 +1.58141000E+004 !\Author: JB !\Ref: J. MENDES, C. -W. ZHOU, H. J. CURRAN, J. PHYS. CHEM. A, 117, 2013, 4515-4525 !\Comment: N-PROPYL METHYL KETONE RATE CONSTANT 
C2H5COC2H5+OH<=>CH2CH2COC2H5+H2O                  +2.70000000E+000 +3.81000000E+000 +2.89930000E+003 !\Author: JB !\Ref: C. -W. ZHOU, J. M. SIMMIE, H. J. CURRAN, PHYS. CHEM. CHEM. PHYS., 13, 2011, 11175-11192 !\Comment: ETHYL METHYL KETONE RATE CONSTANT 
C2H5COC2H5+HO2<=>CH2CH2COC2H5+H2O2                +6.18000000E-005 +4.91000000E+000 +1.40813000E+004 !\Author: JB !\Ref: J. MENDES, C. -W. ZHOU, H. J. CURRAN, J. PHYS. CHEM. A, 117, 2013, 4515-4525 !\Comment: ETHYL METHYL KETONE RATE CONSTANT 
C2H5COC2H5+OH<=>CH3CHCOC2H5+H2O                   +2.36000000E+002 +3.15000000E+000 +3.05040000E+003 !\Author: JB !\Ref: C. -W. ZHOU, J. M. SIMMIE, H. J. CURRAN, PHYS. CHEM. CHEM. PHYS., 13, 2011, 11175-11192 !\Comment: ETHYL METHYL KETONE RATE CONSTANT 
C2H5COC2H5+HO2<=>CH3CHCOC2H5+H2O2                 +8.42000000E-002 +3.93000000E+000 +1.33898000E+004 !\Author: JB !\Ref: J. MENDES, C. -W. ZHOU, H. J. CURRAN, J. PHYS. CHEM. A, 117, 2013, 4515-4525 !\Comment: ETHYL METHYL KETONE RATE CONSTANT 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
NC3H7+CH2CO<=>NC3H7COCH2                          +3.63000000E+003 +2.43000000E+000 +8.96000000E+003 !\Author: JB !\Ref: FROM PRAJACTA PARAB'S CALCULATIONS FOR KETENE+METHYL<=>ACETONYL RADICAL !\Comment: DIVIDED BY 2 
C2H3COCH3+CH3<=>CH3CH2CHCOCH3                     +1.76000000E+004 +2.48000000E+000 +6.13000000E+003 !\Author: JB !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: PROPENE+METHYL RATE CONSTANT 
C3H6+CH3CO<=>CH3CHCH2COCH3                        +8.80000000E+003 +2.48000000E+000 +6.13000000E+003 !\Author: JB !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: PROPENE+ETHYL RATE CONSTANT 
C2H4+CH3COCH2<=>CH2CH2CH2COCH3                    +1.32000000E+004 +2.48000000E+000 +6.13000000E+003 !\Author: JB !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: ETHYLENE+ETHYL RATE CONSTANT 
C2H4+C2H5CO<=>CH2CH2COC2H5                        +8.80000000E+003 +2.48000000E+000 +6.13000000E+003 !\Author: JB !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: PROPENE+ETHYL RATE CONSTANT 
CH3CHCO+C2H5<=>CH3CHCOC2H5                        +3.63000000E+003 +2.43000000E+000 +8.96000000E+003 !\Author: JB !\Ref: FROM PRAJACTA PARAB'S CALCULATIONS FOR KETENE+METHYL<=>ACETONYL RADICAL !\Comment: DIVIDED BY 2 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>RO2
!___________________________________________________________________________________________________________ 
CH3CH2CHCOCH3+O2<=>NC52ONEO2-3                    +1.00000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: JB !\Ref: ESTIMATED BY JB !\Comment: WARNING 
CH3CHCH2COCH3+O2<=>NC52ONEO2-4                    +3.48700000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: JB !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL 
CH2CH2CH2COCH3+O2<=>NC52ONEO2-5                   +6.86500000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: JB !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL 
CH2CH2COC2H5+O2<=>NC53ONEO2-1                     +6.86500000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: JB !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL 
CH3CHCOC2H5+O2<=>NC53ONEO2-2                      +1.00000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: JB !\Ref: ESTIMATED BY JB !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>ALKENE+HO2
!___________________________________________________________________________________________________________ 
NC52ONEO2-3<=>NC52ONE-3+HO2                       +2.88500000E+009 +9.30000000E-001 +2.98000000E+004 !\Author: JB !\Ref: J. BUGLER, K. P. SOMERS, E. J. SILKE, H. J. CURRAN, J. PHYS. CHEM. A, 119, 2015, 7510-7527 !\Comment: RATE RULE FOR CONCERTED ELIMINATION 
NC52ONEO2-4<=>NC52ONE-3+HO2                       +2.88500000E+009 +9.30000000E-001 +2.98000000E+004 !\Author: JB !\Ref: J. BUGLER, K. P. SOMERS, E. J. SILKE, H. J. CURRAN, J. PHYS. CHEM. A, 119, 2015, 7510-7527 !\Comment: RATE RULE FOR CONCERTED ELIMINATION 
NC52ONEO2-4<=>NC52ONE-4+HO2                       +2.88500000E+009 +9.30000000E-001 +2.98000000E+004 !\Author: JB !\Ref: J. BUGLER, K. P. SOMERS, E. J. SILKE, H. J. CURRAN, J. PHYS. CHEM. A, 119, 2015, 7510-7527 !\Comment: RATE RULE FOR CONCERTED ELIMINATION 
NC52ONEO2-5<=>NC52ONE-4+HO2                       +2.88500000E+009 +9.30000000E-001 +2.98000000E+004 !\Author: JB !\Ref: J. BUGLER, K. P. SOMERS, E. J. SILKE, H. J. CURRAN, J. PHYS. CHEM. A, 119, 2015, 7510-7527 !\Comment: RATE RULE FOR CONCERTED ELIMINATION 
NC53ONEO2-1<=>NC53ONE-1+HO2                       +2.88500000E+009 +9.30000000E-001 +2.98000000E+004 !\Author: JB !\Ref: J. BUGLER, K. P. SOMERS, E. J. SILKE, H. J. CURRAN, J. PHYS. CHEM. A, 119, 2015, 7510-7527 !\Comment: RATE RULE FOR CONCERTED ELIMINATION 
NC53ONEO2-2<=>NC53ONE-1+HO2                       +2.88500000E+009 +9.30000000E-001 +2.98000000E+004 !\Author: JB !\Ref: J. BUGLER, K. P. SOMERS, E. J. SILKE, H. J. CURRAN, J. PHYS. CHEM. A, 119, 2015, 7510-7527 !\Comment: RATE RULE FOR CONCERTED ELIMINATION 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONOH
!___________________________________________________________________________________________________________ 
NC52ONE-3+OH=>CH2CO+C3H5-S+H2O                    +4.46000000E+006 +2.07200000E+000 +1.05080000E+003 !\Author: JB !\Ref: ANALOGY TO C3H6+OH<=>C3H5-A+H2O !\Comment: ALLYLIC H-ATOM ABSTRACTION FOLLOWED BY BETA-SCISSION 
NC52ONE-4+OH=>CH2CO+C3H5-A+H2O                    +1.01000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: JB !\Ref: S. S. VASU ET AL. J. PHYS. CHEM. A, 2011, 115, 2549?556 !\Comment: ANALOGY TO C4H8-1+OH<=>C4H71-3+H2O. DIVIDED BY 2. ALLYLIC H-ATOM ABSTRACTION FOLLOWED 
NC53ONE-1+OH=>CH3CHCO+C2H3+H2O                    +2.36000000E+002 +3.15000000E+000 +3.05040000E+003 !\Author: JB !\Ref: C. -W. ZHOU, J. M. SIMMIE, H. J. CURRAN, PHYS. CHEM. CHEM. PHYS., 13, 2011, 11175-11192 !\Comment: ETHYL METHYL KETONE RATE CONSTANT. SECONDARY H-ATOM ABS 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: NC3H7COCH3C2H5COC2H5
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: NC5H11OH
!\MECHCOMMENTS: ADOPTED LARGELY FROM ALEX HEUFER'S N-PENTANOL MECHANISM. JB
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH_R_ABSTRACTION
!___________________________________________________________________________________________________________ 
NC5H11OH+OH<=>C5H10OH15+H2O                       +5.28000000E+009 +9.70000000E-001 +1.59000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC5H11OH+HO2<=>C5H10OH15+H2O2                     +2.04000000E+001 +3.59000000E+000 +1.71600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC5H11OH+OH<=>C5H10OH14+H2O                       +4.67000000E+007 +1.61000000E+000 -3.50000000E+001 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC5H11OH+HO2<=>C5H10OH14+H2O2                     +6.32000000E+001 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC5H11OH+OH<=>C5H10OH13+H2O                       +1.14100000E+003 +2.87000000E+000 -2.92600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC5H11OH+HO2<=>C5H10OH13+H2O2                     +2.76000000E-004 +4.76000000E+000 +1.18500000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC5H11OH+OH<=>C5H10OH12+H2O                       +1.54000000E+000 +3.70000000E+000 -3.73600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC5H11OH+HO2<=>C5H10OH12+H2O2                     +7.51000000E-003 +4.52000000E+000 +1.47100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC5H11OH+OH<=>C5H10OH11+H2O                       +3.61000000E+003 +2.89000000E+000 -2.29100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC5H11OH+HO2<=>C5H10OH11+H2O2                     +3.50000000E-005 +5.26000000E+000 +8.26800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC5H11OH+OH<=>C5H11O-1+H2O                        +5.88000000E+002 +2.82000000E+000 -5.85000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC5H11OH+HO2<=>C5H11O-1+H2O2                      +6.47000000E-007 +5.30000000E+000 +1.05300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ISOMERIZATION
!___________________________________________________________________________________________________________ 
C5H10OH15<=>C5H10OH12                             +2.95000000E+031 -6.74000000E+000 +2.84500000E+004 !\Author: SD !\Ref: R. VAN DE VIJVER ET AL. COMBUSTION AND FLAME 196(2018) 500-514. \COMMENT !\Comment: WARNING 
C5H10OH15<=>C5H10OH11                             +9.52000000E+017 -2.67000000E+000 +1.56100000E+004 !\Author: SD !\Ref: R. VAN DE VIJVER ET AL. COMBUSTION AND FLAME 196(2018) 500-514. \COMMENT !\Comment: WARNING 
C5H10OH15<=>C5H11O-1                              +8.79000000E+006 +0.00000000E+000 +8.79600000E+003 !\Author: SD !\Ref: R. VAN DE VIJVER ET AL. COMBUSTION AND FLAME 196(2018) 500-514. \COMMENT !\Comment: WARNING 
C5H10OH14<=>C5H11O-1                              +1.42000000E+009 +0.00000000E+000 +9.10600000E+003 !\Author: SD !\Ref: R. VAN DE VIJVER ET AL. COMBUSTION AND FLAME 196(2018) 500-514. \COMMENT !\Comment: WARNING 
C5H10OH14<=>C5H10OH11                             +8.16000000E+032 -6.96000000E+000 +2.62400000E+004 !\Author: SD !\Ref: R. VAN DE VIJVER ET AL. COMBUSTION AND FLAME 196(2018) 500-514. \COMMENT !\Comment: WARNING 
C5H10OH25<=>C5H10OH21                             +9.52000000E+017 -2.67000000E+000 +1.56100000E+004 !\Author: WARNING !\Ref: R. VAN DE VIJVER ET AL. COMBUSTION AND FLAME 196(2018) 500-514. \COMMENT !\Comment: WARNING 
C5H10OH25<=>C5H10OH22                             +2.95000000E+031 -6.74000000E+000 +2.84500000E+004 !\Author: WARNING !\Ref: R. VAN DE VIJVER ET AL. COMBUSTION AND FLAME 196(2018) 500-514. \COMMENT !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C5H10OH11<=>C2H3OH+NC3H7                          +2.48000000E+015 -5.80000000E-001 +3.07200000E+004 !\Author: WARNING !\Ref: R. VAN DE VIJVER ET AL. COMBUSTION AND FLAME 196(2018) 500-514. \COMMENT !\Comment: WARNING 
C5H10OH12<=>C3H5OH+C2H5                           +1.28000000E+015 -6.00000000E-001 +3.04000000E+004 !\Author: WARNING !\Ref: R. VAN DE VIJVER ET AL. COMBUSTION AND FLAME 196(2018) 500-514. \COMMENT !\Comment: WARNING 
C5H10OH13<=>C4H71-4OH+CH3                         +1.08000000E+016 -8.70000000E-001 +3.16300000E+004 !\Author: WARNING !\Ref: R. VAN DE VIJVER ET AL. COMBUSTION AND FLAME 196(2018) 500-514. \COMMENT !\Comment: WARNING 
C5H10OH13<=>C4H8-1+CH2OH                          +8.67000000E+015 -7.60000000E-001 +2.92400000E+004 !\Author: WARNING !\Ref: R. VAN DE VIJVER ET AL. COMBUSTION AND FLAME 196(2018) 500-514. \COMMENT !\Comment: WARNING 
C5H10OH14<=>PC2H4OH+C3H6                          +3.13000000E+023 -2.87000000E+000 +3.17700000E+004 !\Author: WARNING !\Ref: R. VAN DE VIJVER ET AL. COMBUSTION AND FLAME 196(2018) 500-514. \COMMENT !\Comment: WARNING 
C5H10OH15<=>C3H6OH1-3+C2H4                        +1.35000000E+016 -7.90000000E-001 +3.07100000E+004 !\Author: WARNING !\Ref: R. VAN DE VIJVER ET AL. COMBUSTION AND FLAME 196(2018) 500-514. \COMMENT !\Comment: WARNING 
C5H10OH21<=>C2H3OH+NC3H7                          +4.90955846E+011 +6.35954924E-001 +3.03706187E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H10OH23<=>CH3+C4H71-1OH                         +2.26609095E+010 +1.01703679E+000 +3.09680962E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H10OH23<=>CH3+C4H71-3OH                         +2.26609095E+010 +1.01703679E+000 +3.09680962E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H10OH32<=>C2H5+SC3H5OH                          +2.15157304E+011 +6.76678608E-001 +2.99308765E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>RO2
!___________________________________________________________________________________________________________ 
C5H10OH12+O2<=>C5H10OH-2O2                        +3.48700000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: JB !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL 
C5H10OH13+O2<=>C5H10OH-3O2                        +3.48700000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: JB !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL 
C5H10OH14+O2<=>C5H10OH-4O2                        +3.48700000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: JB !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL 
C5H10OH15+O2<=>C5H10OH-5O2                        +6.86300000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: JB !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL 
C5H10OH21+O2<=>O2C5H10OH21                        +6.86300000E+016 -1.62700000E+000 +1.99000000E+002 !\Author: SD !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL 
C5H10OH23+O2<=>O2C5H10OH23                        +3.48700000E+014 -8.16000000E-001 -5.36000000E+002 !\Author: SD !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL 
C5H10OH32+O2<=>O2C5H10OH32                        +3.48700000E+014 -8.16000000E-001 -5.36000000E+002 !\Author: SD !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: A-HYDROXYALKYLRADICAL+O2
!___________________________________________________________________________________________________________ 
C5H10OH11+O2<=>PC4H9CHO+HO2                       +1.68300000E+010 +7.61000000E-001 -1.63586000E+003 !\Author: WARNING !\Ref: J. ZADOR ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 271-277 !\Comment: WARNING 
C5H10OH22+O2<=>NC3H7COCH3+HO2                     +3.36600000E+010 +7.61000000E-001 -1.63586000E+003 !\Author: WARNING !\Ref: J. ZADOR ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 271-277 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: HO2ELIMINATIONFROMRO2
!___________________________________________________________________________________________________________ 
C5H10OH-2O2<=>C5H9OH1-1+HO2                       +2.07000000E+013 +0.00000000E+000 +3.29990000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H10OH-2O2<=>C5H9OH1-2+HO2                       +3.15000000E+007 +1.58000000E+000 +2.87440000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H10OH-3O2<=>C5H9OH1-2+HO2                       +2.88500000E+009 +9.30000000E-001 +2.98000000E+004 !\Author: JB !\Ref: J. BUGLER, K. P. SOMERS, E. J. SILKE, H. J. CURRAN, J. PHYS. CHEM. A, 119, 2015, 7510-7527 !\Comment: RATE RULE FOR CONCERTED ELIMINATION 
C5H10OH-3O2<=>C5H9OH1-3+HO2                       +2.88500000E+009 +9.30000000E-001 +2.98000000E+004 !\Author: JB !\Ref: J. BUGLER, K. P. SOMERS, E. J. SILKE, H. J. CURRAN, J. PHYS. CHEM. A, 119, 2015, 7510-7527 !\Comment: RATE RULE FOR CONCERTED ELIMINATION 
C5H10OH-4O2<=>C5H9OH1-3+HO2                       +2.88500000E+009 +9.30000000E-001 +2.98000000E+004 !\Author: JB !\Ref: J. BUGLER, K. P. SOMERS, E. J. SILKE, H. J. CURRAN, J. PHYS. CHEM. A, 119, 2015, 7510-7527 !\Comment: RATE RULE FOR CONCERTED ELIMINATION 
C5H10OH-4O2<=>C5H9OH1-4+HO2                       +2.88500000E+009 +9.30000000E-001 +2.98000000E+004 !\Author: JB !\Ref: J. BUGLER, K. P. SOMERS, E. J. SILKE, H. J. CURRAN, J. PHYS. CHEM. A, 119, 2015, 7510-7527 !\Comment: RATE RULE FOR CONCERTED ELIMINATION 
C5H10OH-5O2<=>C5H9OH1-4+HO2                       +2.88500000E+009 +9.30000000E-001 +2.98000000E+004 !\Author: JB !\Ref: J. BUGLER, K. P. SOMERS, E. J. SILKE, H. J. CURRAN, J. PHYS. CHEM. A, 119, 2015, 7510-7527 !\Comment: RATE RULE FOR CONCERTED ELIMINATION 
O2C5H10OH21<=>C5H9OH2-1+HO2                       +3.65000000E+013 -1.50000000E-001 +3.47900000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
O2C5H10OH23<=>C5H9OH2-2+HO2                       +6.12000000E+014 -4.70000000E-001 +3.45160000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
O2C5H10OH23<=>C5H9OH2-3+HO2                       +3.15000000E+007 +1.58000000E+000 +2.87440000E+004 !\Author: WARNING !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
O2C5H10OH32<=>C5H9OH3-2+HO2                       +6.12000000E+014 -4.70000000E-001 +3.45160000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
O2C5H10OH32<=>C5H9OH3-1+HO2                       +3.86000000E+007 +1.48000000E+000 +2.96310000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: WADDINGTONMECHANISM(RO2ISOMERIZATIONSANDBETA-SCISSION)
!___________________________________________________________________________________________________________ 
C5H10OH-2O2<=>C5H10OOH2-1O                        +2.61000000E+010 +2.90000000E-001 +2.03780000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H10OOH2-1O=>NC3H7CHO+CH2O+OH                    +1.99000000E+019 -1.50000000E+000 +1.08200000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
O2C5H10OH21<=>C5H10OOH1-2O                        +1.18000000E+010 +3.90000000E-001 +2.03220000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H10OOH1-2O=>NC3H7CHO+CH2O+OH                    +8.69000000E+021 -2.37000000E+000 +1.26290000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
HO2CH2CHO+NC3H7<=>C5H10OOH1-2O                    +1.66500000E+010 +0.00000000E+000 +6.39700000E+003 !\Author: WARNING !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 
O2C5H10OH32<=>C5H10OOH2-3O                        +1.80000000E+011 +1.00000000E-001 +2.03300000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H10OOH2-3O=>C2H5CHO+CH3CHO+OH                   +4.72000000E+020 -2.06000000E+000 +9.46500000E+003 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H10OOH2-3O<=>C2H5+C3KET12                       +5.51000000E+022 -2.76000000E+000 +1.39800000E+004 !\Author: WARNING !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 
O2C5H10OH23<=>C5H10OOH3-2O                        +1.80000000E+011 +1.00000000E-001 +2.03300000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H10OOH3-2O<=>CH3+NC4KET12                       +4.38000000E+016 -8.90000000E-001 +1.65300000E+004 !\Author: WARNING !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 
C5H10OOH3-2O=>C2H5CHO+CH3CHO+OH                   +4.72000000E+020 -2.06000000E+000 +9.46500000E+003 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONOH
!___________________________________________________________________________________________________________ 
C5H9OH1-1<=>PC4H9CHO                              +8.59000000E+011 +3.18000000E-001 +5.59000000E+004 !\Author: SD !\Ref: SARATHY, S. MANI, ET AL. COMBUSTION AND FLAME 159.6(2012) !\Comment: WARNING 
C5H9OH2-1<=>NC3H7COCH3                            +8.59000000E+011 +3.18000000E-001 +5.59000000E+004 !\Author: SD !\Ref: SARATHY, S. MANI, ET AL. COMBUSTION AND FLAME 159.6(2012) !\Comment: WARNING 
C5H9OH2-2<=>NC3H7COCH3                            +8.59000000E+011 +3.18000000E-001 +5.59000000E+004 !\Author: SD !\Ref: SARATHY, S. MANI, ET AL. COMBUSTION AND FLAME 159.6(2012) !\Comment: WARNING 
C5H9OH1-1+HO2<=>PC4H9CHO+HO2                      +1.49000000E+005 +1.67000000E+000 +6.81000000E+003 !\Author: SD !\Ref: G. DA SILVA, J. BOZZELLI, CHEM. PHYS. LETT. 483(2009) 25-29. !\Comment: WARNING 
C5H9OH2-1+HO2<=>NC3H7COCH3+HO2                    +1.49000000E+005 +1.67000000E+000 +6.81000000E+003 !\Author: SD !\Ref: G. DA SILVA, J. BOZZELLI, CHEM. PHYS. LETT. 483(2009) 25-29. !\Comment: WARNING 
C5H9OH2-2+HO2<=>NC3H7COCH3+HO2                    +1.49000000E+005 +1.67000000E+000 +6.81000000E+003 !\Author: SD !\Ref: G. DA SILVA, J. BOZZELLI, CHEM. PHYS. LETT. 483(2009) 25-29. !\Comment: WARNING 
C5H9OH1-1+HOCHO<=>PC4H9CHO+HOCHO                  +2.81000000E-002 +3.28600000E+000 -4.50900000E+003 !\Author: SD !\Ref: G. DA SILVA, ANGEW. CHEM., INT. ED. 49(2010) 7523-7525. !\Comment: WARNING 
C5H9OH2-1+HOCHO<=>NC3H7COCH3+HOCHO                +2.81000000E-002 +3.28600000E+000 -4.50900000E+003 !\Author: SD !\Ref: G. DA SILVA, ANGEW. CHEM., INT. ED. 49(2010) 7523-7525. !\Comment: WARNING 
C5H9OH2-2+HOCHO<=>NC3H7COCH3+HOCHO                +2.81000000E-002 +3.28600000E+000 -4.50900000E+003 !\Author: SD !\Ref: G. DA SILVA, ANGEW. CHEM., INT. ED. 49(2010) 7523-7525. !\Comment: WARNING 
C5H9OH1-1+O2=>C4H7CHO-2+H+HO2                     +6.06000000E+001 +3.45000000E+000 +3.46000000E+004 !\Author: SD !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C5H9OH1-1+OH=>C4H7CHO-2+H+H2O                     +2.02000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: SD !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: SD, ANALOGY FROM C4H8-1+OH=C4H71-3+H2O 
C5H9OH1-1+H=>C4H7CHO-2+H+H2                       +4.53300000E+005 +2.48700000E+000 +2.48324000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C5H9OH1-1+O=>C4H7CHO-2+H+OH                       +6.47000000E-003 +4.54000000E+000 -4.66980000E+003 !\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C5H9OH1-1+HO2=>C4H7CHO-2+H+H2O2                   +7.82000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C5H9OH1-1+CH3=>C4H7CHO-2+H+CH4                    +1.69400000E+002 +3.12000000E+000 +5.78000000E+003 !\Author: SD !\Ref: WANG, KUN, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.9(2015) !\Comment: WARNING 
C5H9OH1-1+CH3O2=>C4H7CHO-2+H+CH3O2H               +3.91000000E-001 +3.97000000E+000 +1.37020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C5H9OH1-2+O2=>C4H7CHO-2+H+HO2                     +2.58000000E+001 +3.52000000E+000 +3.52000000E+004 !\Author: WARNING !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: 0.5*2-BUTENE 
C5H9OH1-2+OH=>C4H7CHO-2+H+H2O                     +2.97300000E+006 +2.07200000E+000 +5.08000000E+001 !\Author: WARNING !\Ref: ANALOGY FROM C3H6+OH<=>C3H5-A+H2O !\Comment: WARNING 
C5H9OH1-2+H=>C4H7CHO-2+H+H2                       +7.06000000E+003 +2.98000000E+000 +2.37790000E+003 !\Author: WARNING !\Ref: THIS WORK !\Comment: WB97XD / AUG-CC-PTVZ+CCSD(T) / TZ+MP2 / CBS CORRECTION 
C5H9OH1-2+O=>C4H7CHO-2+H+OH                       +6.47000000E-003 +4.54000000E+000 -3.46980000E+003 !\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C5H9OH1-2+HO2=>C4H7CHO-2+H+H2O2                   +2.29300000E-001 +4.00000000E+000 +1.11030000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C5H9OH1-2+CH3=>C4H7CHO-2+H+CH4                    +5.26000000E+001 +3.24000000E+000 +6.03000000E+003 !\Author: WARNING !\Ref: WANG, KUN, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.9(2015) !\Comment: WARNING 
C5H9OH1-2+CH3O2=>C4H7CHO-2+H+CH3O2H               +1.14700000E-001 +4.00000000E+000 +1.31030000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C5H9OH1-2+O2<=>C5H9OH1-2,4+HO2                    +6.06000000E+001 +3.45000000E+000 +3.46000000E+004 !\Author: SD !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C5H9OH1-2+OH=>C5H9OH1-2,4+H2O                     +2.02000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: SD !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: SD, ANALOGY FROM C4H8-1+OH=C4H71-3+H2O 
C5H9OH1-2+H=>C5H9OH1-2,4+H2                       +4.53300000E+005 +2.48700000E+000 +2.48324000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C5H9OH1-2+O=>C5H9OH1-2,4+OH                       +6.47000000E-003 +4.54000000E+000 -4.66980000E+003 !\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C5H9OH1-2+HO2=>C5H9OH1-2,4+H2O2                   +7.82000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C5H9OH1-2+CH3=>C5H9OH1-2,4+CH4                    +1.69400000E+002 +3.12000000E+000 +5.78000000E+003 !\Author: SD !\Ref: WANG, KUN, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.9(2015) !\Comment: WARNING 
C5H9OH1-2+CH3O2=>C5H9OH1-2,4+CH3O2H               +3.91000000E-001 +3.97000000E+000 +1.37020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C5H9OH1-2,4+HO2<=>C5H9OH1-2,4O+OH                 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
C5H9OH1-2,4O<=>SC3H5CHO+CH2OH                     +4.38000000E+016 -8.90000000E-001 +1.65300000E+004 !\Author: WARNING !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 

C5H9OH1-2,4=CVCCVCCOH+H                                 2.02E+15   -0.340   46030 !C5H92-4<=>C5H81-3+H
REV /  1.00E+13    0.000    1200 / 
!DONG 220428!C5H9OH1-2,4=C5H81-3+OH                                  7.04E+16   -1.012   36070 !BUTENOL C4H6OH1-32<=>C4H6+OH
!DONG 220428!REV /  9.93E+11    0.000    -960 / 
!DONG 0423!C5H9OH1-2,4=CCVCCVCOH+H                                 4.73E+11    0.636   42640 !BOND ENERGY OF HOC-H CLOSER TO SECONDARY THAN TO PRIMARY -> C5H91-3<=>C5H81-3+H
!DONG 0423!REV /  2.50E+11    0.510    2620 / 

C5H9OH1-3+O2=>C5H9OH1-2,4+HO2                     +6.06000000E+001 +3.45000000E+000 +3.46000000E+004 !\Author: SD !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C5H9OH1-3+OH=>C5H9OH1-2,4+H2O                     +2.02000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: SD !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: SD, ANALOGY FROM C4H8-1+OH=C4H71-3+H2O 
C5H9OH1-3+H=>C5H9OH1-2,4+H2                       +4.53300000E+005 +2.48700000E+000 +2.48324000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C5H9OH1-3+O=>C5H9OH1-2,4+OH                       +6.47000000E-003 +4.54000000E+000 -4.66980000E+003 !\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C5H9OH1-3+HO2=>C5H9OH1-2,4+H2O2                   +7.82000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C5H9OH1-3+CH3=>C5H9OH1-2,4+CH4                    +1.69400000E+002 +3.12000000E+000 +5.78000000E+003 !\Author: SD !\Ref: WANG, KUN, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.9(2015) !\Comment: WARNING 
C5H9OH1-3+CH3O2=>C5H9OH1-2,4+CH3O2H               +3.91000000E-001 +3.97000000E+000 +1.37020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C5H9OH1-4+O2=>C5H9OH1-4,3+HO2                     +6.06000000E+001 +3.45000000E+000 +3.46000000E+004 !\Author: SD !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C5H9OH1-4+OH=>C5H9OH1-4,3+H2O                     +2.02000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: SD !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: SD, ANALOGY FROM C4H8-1+OH=C4H71-3+H2O 
C5H9OH1-4+H=>C5H9OH1-4,3+H2                       +4.53300000E+005 +2.48700000E+000 +2.48324000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C5H9OH1-4+O=>C5H9OH1-4,3+OH                       +6.47000000E-003 +4.54000000E+000 -4.66980000E+003 !\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C5H9OH1-4+HO2=>C5H9OH1-4,3+H2O2                   +7.82000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C5H9OH1-4+CH3=>C5H9OH1-4,3+CH4                    +1.69400000E+002 +3.12000000E+000 +5.78000000E+003 !\Author: SD !\Ref: WANG, KUN, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.9(2015) !\Comment: WARNING 
C5H9OH1-4+CH3O2=>C5H9OH1-4,3+CH3O2H               +3.91000000E-001 +3.97000000E+000 +1.37020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C5H9OH1-4,3+HO2<=>C5H9OH1-4,3O+OH                 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
C5H9OH1-4,3O<=>C2H3CHO+PC2H4OH                    +4.38000000E+016 -8.90000000E-001 +1.65300000E+004 !\Author: WARNING !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 
C5H9OH2-1+O2=>C5H9OH2-1,3+HO2                     +6.06000000E+001 +3.45000000E+000 +3.46000000E+004 !\Author: SD !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C5H9OH2-1+OH=>C5H9OH2-1,3+H2O                     +2.02000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: SD !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: SD, ANALOGY FROM C4H8-1+OH=C4H71-3+H2O 
C5H9OH2-1+H=>C5H9OH2-1,3+H2                       +4.53300000E+005 +2.48700000E+000 +2.48324000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C5H9OH2-1+O=>C5H9OH2-1,3+OH                       +6.47000000E-003 +4.54000000E+000 -4.66980000E+003 !\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C5H9OH2-1+HO2=>C5H9OH2-1,3+H2O2                   +7.82000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C5H9OH2-1+CH3=>C5H9OH2-1,3+CH4                    +1.69400000E+002 +3.12000000E+000 +5.78000000E+003 !\Author: SD !\Ref: WANG, KUN, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.9(2015) !\Comment: WARNING 
C5H9OH2-1+CH3O2=>C5H9OH2-1,3+CH3O2H               +3.91000000E-001 +3.97000000E+000 +1.37020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C5H9OH2-1,3+HO2<=>C5H9OH2-1,3O+OH                 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
C5H9OH2-1,3O<=>CH2COHCHO+C2H5                     +4.38000000E+016 -8.90000000E-001 +1.65300000E+004 !\Author: WARNING !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 
C5H9OH2-2+O2=>NC52ONE-3+H+HO2                     +6.06000000E+001 +3.45000000E+000 +3.46000000E+004 !\Author: SD !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C5H9OH2-2+OH=>NC52ONE-3+H+H2O                     +2.02000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: SD !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: SD, ANALOGY FROM C4H8-1+OH=C4H71-3+H2O 
C5H9OH2-2+H=>NC52ONE-3+H+H2                       +4.53300000E+005 +2.48700000E+000 +2.48324000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C5H9OH2-2+O=>NC52ONE-3+H+OH                       +6.47000000E-003 +4.54000000E+000 -4.66980000E+003 !\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C5H9OH2-2+HO2=>NC52ONE-3+H+H2O2                   +7.82000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C5H9OH2-2+CH3=>NC52ONE-3+H+CH4                    +1.69400000E+002 +3.12000000E+000 +5.78000000E+003 !\Author: SD !\Ref: WANG, KUN, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.9(2015) !\Comment: WARNING 
C5H9OH2-2+CH3O2=>NC52ONE-3+H+CH3O2H               +3.91000000E-001 +3.97000000E+000 +1.37020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C5H9OH2-3+O2=>NC52ONE-3+H+HO2                     +3.03000000E+001 +3.45000000E+000 +3.36000000E+004 !\Author: WARNING !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C5H9OH2-3+OH=>NC52ONE-3+H+H2O                     +1.01000000E+006 +2.20000000E+000 -1.43720000E+003 !\Author: WARNING !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: SD, ANALOGY FROM C4H8-1+OH=C4H71-3+H2O 
C5H9OH2-3+H=>NC52ONE-3+H+H2                       +2.26600000E+005 +2.48700000E+000 +1.48324000E+003 !\Author: WARNING !\Ref: THIS WORK !\Comment: WB97XD / AUG-CC-PTVZ+CCSD(T) / TZ+MP2 / CBS CORRECTION 
C5H9OH2-3+O=>NC52ONE-3+H+OH                       +3.23500000E-003 +4.54000000E+000 -5.66980000E+003 !\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C5H9OH2-3+HO2=>NC52ONE-3+H+H2O2                   +3.91000000E-001 +3.97000000E+000 +1.07020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C5H9OH2-3+CH3=>NC52ONE-3+H+CH4                    +8.47000000E+001 +3.12000000E+000 +4.78000000E+003 !\Author: WARNING !\Ref: WANG, KUN, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.9(2015) !\Comment: WARNING 
C5H9OH2-3+CH3O2=>NC52ONE-3+H+CH3O2H               +1.95500000E-001 +3.97000000E+000 +1.27020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C5H9OH3-2+O2=>NC53ONE-1+H+HO2                     +3.87000000E+001 +3.52000000E+000 +3.62000000E+004 !\Author: WARNING !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C5H9OH3-2+OH=>NC53ONE-1+H+H2O                     +4.46000000E+006 +2.07200000E+000 +1.05080000E+003 !\Author: SD !\Ref: ANALOGY FROM C3H6+OH<=>C3H5-A+H2O !\Comment: WARNING 
C5H9OH3-2+H=>NC53ONE-1+H+H2                       +1.05900000E+004 +2.98000000E+000 +3.37790000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C5H9OH3-2+O=>NC53ONE-1+H+OH                       +9.68000000E-003 +4.54000000E+000 -2.46980000E+003 !\Author: SD !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C5H9OH3-2+HO2=>NC53ONE-1+H+H2O2                   +3.44000000E-001 +4.00000000E+000 +1.21030000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C5H9OH3-2+CH3=>NC53ONE-1+H+CH4                    +7.89000000E+001 +3.24000000E+000 +7.03000000E+003 !\Author: SD !\Ref: WANG, KUN, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.9(2015) !\Comment: WARNING 
C5H9OH3-2+CH3O2=>NC53ONE-1+H+CH3O2H               +2.04000000E+001 +3.59000000E+000 +1.91600000E+004 !\Author: WARNING !\Ref: J. AGUILERA-IPARRAGUIRRE, H. J. CURRAN, W. KLOPPER, J. M. SIMMIE, J. PHYS. CHEM. A, 112, 2008, 7047-7054 !\Comment: WARNING 
C5H9OH3-1+O2=>NC53ONE-1+H+HO2                     +3.03000000E+001 +3.45000000E+000 +3.36000000E+004 !\Author: WARNING !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C5H9OH3-1+OH=>NC53ONE-1+H+H2O                     +1.01000000E+006 +2.20000000E+000 -1.43720000E+003 !\Author: WARNING !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: SD, ANALOGY FROM C4H8-1+OH=C4H71-3+H2O 
C5H9OH3-1+H=>NC53ONE-1+H+H2                       +2.26600000E+005 +2.48700000E+000 +1.48324000E+003 !\Author: WARNING !\Ref: THIS WORK !\Comment: WB97XD / AUG-CC-PTVZ+CCSD(T) / TZ+MP2 / CBS CORRECTION 
C5H9OH3-1+O=>NC53ONE-1+H+OH                       +3.23500000E-003 +4.54000000E+000 -5.66980000E+003 !\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C5H9OH3-1+HO2=>NC53ONE-1+H+H2O2                   +3.91000000E-001 +3.97000000E+000 +1.07020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C5H9OH3-1+CH3=>NC53ONE-1+H+CH4                    +8.47000000E+001 +3.12000000E+000 +4.78000000E+003 !\Author: WARNING !\Ref: WANG, KUN, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.9(2015) !\Comment: WARNING 
C5H9OH3-1+CH3O2=>NC53ONE-1+H+CH3O2H               +1.95500000E-001 +3.97000000E+000 +1.27020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>QOOH
!___________________________________________________________________________________________________________ 
C5H10OH-2O2<=>C5H9OH1Q2-1                         +1.76000000E+003 +2.69000000E+000 +2.14980000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H10OH-2O2<=>C5H9OH1Q2-3                         +2.77000000E-001 +3.77000000E+000 +2.39920000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H10OH-2O2<=>C5H9OH1Q2-4                         +7.15000000E+005 +1.67000000E+000 +1.62210000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H10OH-2O2<=>C5H9OH1Q2-5                         +2.29000000E+002 +2.53000000E+000 +1.70050000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
O2C5H10OH21<=>C5H9OH2Q1-2                         +1.92000000E+005 +2.03000000E+000 +2.01900000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
O2C5H10OH21<=>C5H9OH2Q1-3                         +5.76000000E+006 +1.54000000E+000 +1.79440000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
O2C5H10OH21<=>C5H9OH2Q1-4                         +8.36000000E+006 +1.26000000E+000 +1.63330000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
O2C5H10OH21<=>C5H9OH2Q1-5                         +2.94100000E+005 +1.50000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
O2C5H10OH23<=>C5H9OH2Q3-1                         +4.12000000E+004 +2.20000000E+000 +1.97840000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
O2C5H10OH23<=>C5H9OH2Q3-2                         +2.85000000E+005 +2.00000000E+000 +1.95600000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
O2C5H10OH23<=>C5H9OH2Q3-4                         +2.77000000E-001 +3.77000000E+000 +2.39920000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
O2C5H10OH23<=>C5H9OH2Q3-5                         +6.23000000E+003 +2.35000000E+000 +1.84300000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
O2C5H10OH32<=>C5H9OH3Q2-1                         +1.35000000E-003 +4.55000000E+000 +2.69850000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
O2C5H10OH32<=>C5H9OH3Q2-3                         +2.85000000E+005 +2.00000000E+000 +1.95600000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
O2C5H10OH32<=>C5H9OH3Q2-4                         +2.34000000E+007 +1.41000000E+000 +1.78290000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
O2C5H10OH32<=>C5H9OH3Q2-5                         +7.43000000E+006 +1.34000000E+000 +2.00540000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: A-HYDROXYPEROXYRADICAL+O2
!___________________________________________________________________________________________________________ 
C5H9OH1Q2-1+O2<=>NC5KET12+HO2                     +1.68300000E+010 +7.61000000E-001 -1.63586000E+003 !\Author: WARNING !\Ref: J. ZADOR ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 271-277 !\Comment: WARNING 
C5H9OH2Q1-2+O2<=>NC5KET21+HO2                     +3.36600000E+010 +7.61000000E-001 -1.63586000E+003 !\Author: WARNING !\Ref: J. ZADOR ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 271-277 !\Comment: WARNING 
C5H9OH2Q3-2+O2<=>NC5KET23+HO2                     +3.36600000E+010 +7.61000000E-001 -1.63586000E+003 !\Author: WARNING !\Ref: J. ZADOR ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 271-277 !\Comment: WARNING 
C5H9OH3Q2-3+O2<=>NC5KET32+HO2                     +3.36600000E+010 +7.61000000E-001 -1.63586000E+003 !\Author: WARNING !\Ref: J. ZADOR ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 271-277 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOHDECOMPOSITIONS
!___________________________________________________________________________________________________________ 
C5H9OH1Q2-1<=>C5H9OH1-1+HO2                       +5.22000000E+014 -2.40000000E-001 +1.66580000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H9OH1Q2-3<=>C5H9OH1-2+HO2                       +1.97000000E+010 +7.40000000E-001 +1.42800000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H9OH2Q1-2<=>C5H9OH2-1+HO2                       +5.46000000E+010 +9.20000000E-001 +1.48810000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H9OH2Q3-2<=>C5H9OH2-2+HO2                       +1.22000000E+013 +2.40000000E-001 +1.52710000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H9OH2Q3-4<=>C5H9OH2-3+HO2                       +1.97000000E+010 +7.40000000E-001 +1.42800000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H9OH3Q2-1<=>C5H9OH3-1+HO2                       +8.17000000E+009 +8.00000000E-001 +1.42310000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H9OH3Q2-3<=>C5H9OH3-2+HO2                       +1.22000000E+013 +2.40000000E-001 +1.52710000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H9OH1Q2-4=>HOCH2CHO+C3H6+OH                     +3.08100000E+013 +0.00000000E+000 +2.57977900E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C5H9OH2Q1-3=>CH2O+C4H71-1OH+OH                    +3.08100000E+013 +0.00000000E+000 +2.56716500E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C5H9OH2Q3-1=>C2H5CHO+C2H3OH+OH                    +3.08100000E+013 +0.00000000E+000 +2.35993500E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C5H9OH2Q3-5=>CHOCOHCH3+C2H4+OH                    +3.08100000E+013 +0.00000000E+000 +2.53843900E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C5H9OH3Q2-4=>CH3CHO+SC3H5OH+OH                    +3.08100000E+013 +0.00000000E+000 +2.38108200E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C5H9OH1Q2-5<=>QC3H5OHP+C2H4                       +1.39200000E+014 +0.00000000E+000 +2.81370900E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C5H9OH3Q2-5<=>TQC3H5OHI+C2H4                      +1.39200000E+014 +0.00000000E+000 +2.57646600E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH<=>CYCETH+OH
!___________________________________________________________________________________________________________ 
C5H9OH1Q2-1<=>C5H9OH1O1-2+OH                      +3.90000000E+012 +2.00000000E-002 +9.53200000E+003 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H9OH1Q2-3<=>C5H9OH1O2-3+OH                      +2.76000000E+009 +1.01000000E+000 +8.03100000E+003 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H9OH1Q2-4<=>C5H9OH1O2-4+OH                      +2.44000000E+011 -8.00000000E-002 +1.27630000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H9OH1Q2-5<=>C5H9OH1O2-5+OH                      +5.02000000E+012 -7.70000000E-001 +1.06320000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H9OH2Q1-2<=>C5H9OH2O1-2+OH                      +8.62000000E+010 +5.60000000E-001 +9.18400000E+003 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H9OH2Q1-3<=>C5H9OH2O1-3+OH                      +6.83000000E+013 -5.90000000E-001 +1.84100000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H9OH2Q1-4<=>C5H9OH2O1-4+OH                      +1.90000000E+010 +5.00000000E-002 +1.07670000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H9OH2Q1-5<=>C5H9OH2O1-5+OH                      +1.04000000E+010 +0.00000000E+000 +1.19162000E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C5H9OH2Q3-1<=>C5H9OH2O1-3+OH                      +1.00000000E+016 -1.33000000E+000 +1.98820000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H9OH2Q3-2<=>C5H9OH2O2-3+OH                      +7.44000000E+010 +5.80000000E-001 +7.56800000E+003 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H9OH2Q3-4<=>C5H9OH2O3-4+OH                      +2.76000000E+009 +1.01000000E+000 +8.03100000E+003 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H9OH2Q3-5<=>C5H9OH2O3-5+OH                      +1.67000000E+011 -9.00000000E-002 +1.61420000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H9OH3Q2-1<=>C5H9OH3O1-2+OH                      +2.26000000E+010 +5.60000000E-001 +1.04980000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H9OH3Q2-3<=>C5H9OH3O2-3+OH                      +7.44000000E+010 +5.80000000E-001 +7.56800000E+003 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H9OH3Q2-4<=>C5H9OH3O2-4+OH                      +2.18000000E+014 -7.60000000E-001 +1.70660000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H9OH3Q2-5<=>C5H9OH3O2-5+OH                      +7.31000000E+011 -3.10000000E-001 +1.24550000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: CYCETHDECOMPOSITIONS
!___________________________________________________________________________________________________________ 
C5H9OH1O1-2+OH=>H2O+C2H4+CO2+C2H5                 +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OH1O2-3+OH=>H2O+C2H5CHCO+CH2OH                +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OH1O2-4+OH=>H2O+CH3CO+C3H5OH                  +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OH1O2-5+OH=>H2O+CH2CHO+C3H5OH                 +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OH2O1-2+OH=>H2O+C2H5+CH2COHCHO                +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OH2O1-3+OH=>H2O+C2H5CO+C2H3OH                 +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OH2O1-4+OH=>H2O+CH3COCH2+C2H3OH               +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OH2O1-5+OH=>H2O+CH2CH2CHO+C2H3OH              +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OH2O2-3+OH=>H2O+C2H5+CH3COHCO                 +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OH2O3-4+OH=>H2O+CH3CHCO+SC2H4OH               +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OH2O3-5+OH=>H2O+HCO+C4H71-3OH                 +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OH3O1-2+OH=>H2O+CH2CO+C3H6OH1-1               +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OH3O2-3+OH=>H2O+CH3+CH3COCOHCH2               +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OH3O2-4+OH=>H2O+CH3CO+SC3H5OH                 +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OH3O2-5+OH=>H2O+CH2CHO+SC3H5OH                +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OH1O1-2+HO2=>H2O2+C2H4+CO2+C2H5               +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OH1O2-3+HO2=>H2O2+C2H5CHCO+CH2OH              +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OH1O2-4+HO2=>H2O2+CH3CO+C3H5OH                +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OH1O2-5+HO2=>H2O2+CH2CHO+C3H5OH               +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OH2O1-2+HO2=>H2O2+C2H5+CH2COHCHO              +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OH2O1-3+HO2=>H2O2+C2H5CO+C2H3OH               +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OH2O1-4+HO2=>H2O2+CH3COCH2+C2H3OH             +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OH2O1-5+HO2=>H2O2+CH2CH2CHO+C2H3OH            +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OH2O2-3+HO2=>H2O2+C2H5+CH3COHCO               +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OH2O3-4+HO2=>H2O2+CH3CHCO+SC2H4OH             +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OH2O3-5+HO2=>H2O2+HCO+C4H71-3OH               +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OH3O1-2+HO2=>H2O2+CH2CO+C3H6OH1-1             +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OH3O2-3+HO2=>H2O2+CH3+CH3COCOHCH2             +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OH3O2-4+HO2=>H2O2+CH3CO+SC3H5OH               +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OH3O2-5+HO2=>H2O2+CH2CHO+SC3H5OH              +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
CH3COCOHCH2+OH=>CH2CO+CH2CHO+H2O                  +6.25000000E+004 +2.48300000E+000 +4.45000000E+002 !\Author: WARNING !\Ref: ESTIMATE !\Comment: WARNING 
CH3COCOHCH2+HO2=>CH2CO+CH2CHO+H2O2                +8.50000000E+012 +0.00000000E+000 +2.04600000E+004 !\Author: WARNING !\Ref: ANALOGY TO ETHANE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: OHQOOH+O2
!___________________________________________________________________________________________________________ 
!DONG 0605
C5H9OH1Q2-3+O2<=>C5H9OH1Q2-3O2                    +1.74300000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C5H9OH1Q2-4+O2<=>C5H9OH1Q2-4O2                    +1.74300000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C5H9OH1Q2-5+O2<=>C5H9OH1Q2-5O2                    +3.43200000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C5H9OH2Q1-3+O2<=>C5H9OH2Q1-3O2                    +1.74300000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C5H9OH2Q1-4+O2<=>C5H9OH2Q1-4O2                    +1.74300000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C5H9OH2Q1-5+O2<=>C5H9OH2Q1-5O2                    +3.43200000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C5H9OH2Q3-1+O2<=>C5H9OH2Q3-1O2                    +3.43200000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C5H9OH2Q3-4+O2<=>C5H9OH2Q3-4O2                    +1.74300000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C5H9OH2Q3-5+O2<=>C5H9OH2Q3-5O2                    +3.43200000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C5H9OH3Q2-1+O2<=>C5H9OH3Q2-1O2                    +3.43200000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C5H9OH3Q2-4+O2<=>C5H9OH3Q2-4O2                    +1.74300000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C5H9OH3Q2-5+O2<=>C5H9OH3Q4-1O2                    +3.43200000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: SD !\Ref: WARNING !\Comment: WARNING
!
!DONG 0605!C5H9OH1Q2-3+O2<=>C5H9OH1Q2-3O2                    +8.71500000E+013 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0605!C5H9OH1Q2-4+O2<=>C5H9OH1Q2-4O2                    +8.71500000E+013 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0605!C5H9OH1Q2-5+O2<=>C5H9OH1Q2-5O2                    +1.71600000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0605!C5H9OH2Q1-3+O2<=>C5H9OH2Q1-3O2                    +8.71500000E+013 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0605!C5H9OH2Q1-4+O2<=>C5H9OH2Q1-4O2                    +8.71500000E+013 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0605!C5H9OH2Q1-5+O2<=>C5H9OH2Q1-5O2                    +1.71600000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0605!C5H9OH2Q3-1+O2<=>C5H9OH2Q3-1O2                    +1.71600000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0605!C5H9OH2Q3-4+O2<=>C5H9OH2Q3-4O2                    +8.71500000E+013 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0605!C5H9OH2Q3-5+O2<=>C5H9OH2Q3-5O2                    +1.71600000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0605!C5H9OH3Q2-1+O2<=>C5H9OH3Q2-1O2                    +1.71600000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0605!C5H9OH3Q2-4+O2<=>C5H9OH3Q2-4O2                    +8.71500000E+013 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0605!C5H9OH3Q2-5+O2<=>C5H9OH3Q4-1O2                    +1.71600000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: O2QOOHDECOMPOSITIONS
!___________________________________________________________________________________________________________ 
C5H9OH1Q2-3O2<=>C5H83OH1Q2+HO2                    +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H9OH1Q2-4O2<=>C5H83OH1Q2+HO2                    +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H9OH1Q2-4O2<=>C5H84OH1Q2+HO2                    +3.60600000E+009 +1.13000000E+000 +3.06000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H9OH1Q2-5O2<=>C5H84OH1Q2+HO2                    +3.87000000E+007 +1.58000000E+000 +2.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H9OH2Q1-3O2<=>C5H82OH2Q1+HO2                    +6.12000000E+014 -4.70000000E-001 +3.45160000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C5H9OH2Q1-3O2<=>C5H83OH2Q1+HO2                    +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H9OH2Q1-4O2<=>C5H83OH2Q1+HO2                    +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H9OH2Q1-4O2<=>C5H84OH2Q1+HO2                    +3.60600000E+009 +1.13000000E+000 +3.06000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H83OH1Q2=>C3H5-A+HOCH2CHO+OH                    +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H82OH2Q1=>C3H5-A+HOCH2CHO+OH                    +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H84OH1Q2=>C3H5-A+HOCH2CHO+OH                    +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H83OH2Q1=>C3H5-A+HOCH2CHO+OH                    +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H84OH2Q1=>C3H5-A+HOCH2CHO+OH                    +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C5H9OH1Q2-3O2<=>C5H8OH1KET2-3+OH                  +1.74800000E+008 +1.70000000E+000 +2.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H9OH1Q2-4O2<=>C5H8OH1KET2-4+OH                  +1.75400000E+002 +3.10000000E+000 +1.75000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H9OH1Q2-5O2<=>C5H8OH1KET2-5+OH                  +3.76800000E+002 +2.20000000E+000 +1.53000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H9OH2Q1-3O2<=>C5H8OH2KET1-3+OH                  +1.09800000E+004 +2.40000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H9OH2Q1-4O2<=>C5H8OH2KET1-4+OH                  +1.25600000E+003 +2.20000000E+000 +1.74000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H9OH2Q1-5O2<=>C5H8OH2KET1-5+OH                  +1.11500000E+003 +1.80000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H9OH2Q3-1O2<=>C5H8OH2KET3-1+OH                  +5.78600000E+001 +2.90000000E+000 +1.70000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H9OH2Q3-4O2<=>C5H8OH2KET3-4+OH                  +1.74800000E+008 +1.70000000E+000 +2.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H9OH2Q3-5O2<=>C5H8OH2KET3-5+OH                  +5.78600000E+001 +2.90000000E+000 +1.70000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H9OH3Q2-1O2<=>C5H8OH3KET2-1+OH                  +2.76300000E+008 +1.20000000E+000 +2.57000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H9OH3Q2-4O2<=>C5H8OH3KET2-4+OH                  +1.75400000E+002 +3.10000000E+000 +1.75000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H9OH3Q4-1O2<=>C5H8OH3KET2-5+OH                  +3.76800000E+002 +2.20000000E+000 +1.53000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!

!DONG 0327!C5H8OH1KET2-3=>C2H5CHO+OH+HOCH2CO                 +5.25000000E+015 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0327!C5H8OH1KET2-4=>CH3CHO+OH+HOCH2COCH2               +5.25000000E+015 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0327!HOCH2COCH2<=>CH2CO+CH2OH                          +5.88000000E+016 -8.30000000E-001 +4.24400000E+004 !\Author: SD !\Ref:  Zador and Miller, Proceedings of the Combustion Institute 35 (2015) 181-188 !\Comment: CH3COCH2=CH2CO+CH3 
!DONG 0327!C5H8OH1KET2-5=>CH2O+OH+C2H4+HOCH2CO               +7.50000000E+015 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0327!C5H8OH2KET1-3=>HOCHCHO+C2H5CHO+OH                 +5.25000000E+015 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0327!C5H8OH2KET1-4=>HCO+C2H3OH+CH3CHO+OH               +5.25000000E+015 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0327!C5H8OH2KET1-5=>HOCHCHO+C2H4+CH2O+OH               +7.50000000E+015 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0327!C5H8OH2KET3-1=>CH2O+OH+OH+HCCO+C2H5               +7.50000000E+015 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0327!C5H8OH2KET3-4=>SC2H4OH+CO+CH3CHO+OH               +5.25000000E+015 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0327!C5H8OH2KET3-5=>SC2H4OH+CH2CO+CH2O+OH              +7.50000000E+015 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0327!C5H8OH3KET2-1=>CH2O+OH+C2H5CHOHCO                 +7.50000000E+015 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0327!C5H8OH3KET2-4=>CH3CHO+OH+CH3COCHOH                +5.25000000E+015 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0327!C5H8OH3KET2-5=>CH2O+OH+C2H3OH+CH3CO               +7.50000000E+015 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

C5H8OH1KET2-3=>C2H5CHO+OH+HOCH2CO                 +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !50% SLOWER \Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H8OH1KET2-4=>CH3CHO+OH+HOCH2COCH2               +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!DONG 0618!HOCH2COCH2<=>CH2CO+CH2OH                          +5.88000000E+016 -8.30000000E-001 +4.24400000E+004 !\Author: SD !\Ref:  Zador and Miller, Proceedings of the Combustion Institute 35 (2015) 181-188 !\Comment: CH3COCH2=CH2CO+CH3 
HOCH2COCH2+O2<=>HOCH2COCH2O2                      +6.10000000E+050 -1.22000000E+001 +1.56300000E+004 !10 ATM *2.0 FOR SECONDARY, CH2CHO+O2<=>O2CH2CHO \Author: SD !\Ref: J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107(19), 3778-3791 !\Comment: WARNING 
HOCH2COCH2O2+HO2<=>C3H4OH1KT2-3+O2               +1.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING  
HOCH2COCH2+CH3O2<=>HOCH2COCH2O+CH3O               +1.20500000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WJP !\Comment: CH3COCH2+CH3O2<=>CH3COCH2O+CH3O 
HOCH2COCH2+HO2<=>HOCH2COCH2O+OH                   +8.05000000E+017 -1.50300000E+000 +4.82000000E+003 !\Author: SD !\Ref: FROM C3H5-A+HO2=C3H5O+OH ! !KUKKADAPU1@LLNL.GOV !\Comment: WARNING 
HOCH2COCH2+HO2<=>C3H4OH1KT2-3                    +1.82000000E+040 -8.90600000E+000 +8.12000000E+003 !\Author: SD !\Ref: FROM C3H5-A+HO2, 10 ATM RATE KUKKADAPU1.LLNL.GOV !\Comment: WARNING 

C5H8OH1KET2-5=>CH2O+OH+C2H4+HOCH2CO               +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H8OH2KET1-3=>HOCHCHO+C2H5CHO+OH                 +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H8OH2KET1-4=>HCO+C2H3OH+CH3CHO+OH               +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H8OH2KET1-5=>HOCHCHO+C2H4+CH2O+OH               +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H8OH2KET3-1=>CH2O+OH+OH+HCCO+C2H5               +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H8OH2KET3-4=>SC2H4OH+CO+CH3CHO+OH               +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H8OH2KET3-5=>SC2H4OH+CH2CO+CH2O+OH              +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H8OH3KET2-1=>CH2O+OH+C2H5CHOHCO                 +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H8OH3KET2-4=>CH3CHO+OH+CH3COCHOH                +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H8OH3KET2-5=>CH2O+OH+C2H3OH+CH3CO               +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: NC5H11OH
!----------------------------------------------------------------------------------------------------------------------------------
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\END_KINETICS_MODULE: C5
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

!
!
!
!\KINETICS_MODULE: C6
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: NC6H14
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: KHP_HOMOLYTIC_FISSION
!___________________________________________________________________________________________________________ 
C6KET12<=>C6KET12O+OH                             +1.05000000E+016 +0.00000000E+000 +4.22000000E+004 !\Author: WARNING !\Ref: !/ABS !\Comment: WARNING 
C6KET13<=>C6KET13O+OH                             +1.05000000E+016 +0.00000000E+000 +4.22000000E+004 !\Author: WARNING !\Ref: !/ABS !\Comment: WARNING 
C6KET14<=>C6KET14O+OH                             +1.05000000E+016 +0.00000000E+000 +4.22000000E+004 !\Author: WARNING !\Ref: !/ABS !\Comment: WARNING 
C6KET15<=>C6KET15O+OH                             +1.05000000E+016 +0.00000000E+000 +4.22000000E+004 !\Author: WARNING !\Ref: !/ABS !\Comment: WARNING 
C6KET21<=>C6KET21O+OH                             +1.50000000E+016 +0.00000000E+000 +4.24000000E+004 !\Author: WARNING !\Ref: !/ABS !\Comment: WARNING 
C6KET23<=>C6KET23O+OH                             +1.05000000E+016 +0.00000000E+000 +4.22000000E+004 !\Author: WARNING !\Ref: !/ABS !\Comment: WARNING 
C6KET24<=>C6KET24O+OH                             +1.05000000E+016 +0.00000000E+000 +4.22000000E+004 !\Author: WARNING !\Ref: !/ABS !\Comment: WARNING 
C6KET25<=>C6KET25O+OH                             +1.05000000E+016 +0.00000000E+000 +4.22000000E+004 !\Author: WARNING !\Ref: !/ABS !\Comment: WARNING 
C6KET26<=>C6KET26O+OH                             +1.50000000E+016 +0.00000000E+000 +4.24000000E+004 !\Author: WARNING !\Ref: !/ABS !\Comment: WARNING 
C6KET31<=>C6KET31O+OH                             +1.50000000E+016 +0.00000000E+000 +4.2400000E+004 !\Author: WARNING !\Ref: !/ABS !\Comment: WARNING 
C6KET32<=>C6KET32O+OH                             +1.05000000E+016 +0.00000000E+000 +4.22000000E+004 !\Author: WARNING !\Ref: !/ABS !\Comment: WARNING 
C6KET34<=>C6KET34O+OH                             +1.05000000E+016 +0.00000000E+000 +4.22000000E+004 !\Author: WARNING !\Ref: !/ABS !\Comment: WARNING 
C6KET35<=>C6KET35O+OH                             +1.05000000E+016 +0.00000000E+000 +4.22000000E+004 !\Author: WARNING !\Ref: !/ABS !\Comment: WARNING 
C6KET36<=>C6KET36O+OH                             +1.50000000E+016 +0.00000000E+000 +4.24000000E+004 !\Author: WARNING !\Ref: !/ABS !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C6KET12O=PC4H9CHO+HCO                             +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6KET13O=NC3H7CHO+CH2CHO                          +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6KET14O=C2H5CHO+CH2CH2CHO                        +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6KET15O=CH3CHO+C3H6CHO-3                         +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6KET21O=CH2O+PC4H9CO                             +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6KET23O=NC3H7CHO+CH3CO                           +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6KET24O=C2H5CHO+CH3COCH2                         +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6KET25O=CH3CHO+CH2CH2COCH3                       +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6KET26O=CH2O+CH2CH2CH2COCH3                      +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6KET31O=CH2O+NC3H7COCH2                          +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6KET32O=CH3CHO+NC3H7CO                           +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6KET34O=C2H5CHO+C2H5CO                           +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6KET35O=CH3CHO+C2H5COCH2                         +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6KET36O=CH2O+CH2CH2COC2H5                        +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q12-3=C6H11-2D1OOH+HO2                       +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q13-2=C6H11-1D3OOH+HO2                       +5.63000000E+009 +9.70000000E-001 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q13-2=C6H11-2D1OOH+HO2                       +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q13-4=C6H11-3D1OOH+HO2                       +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q14-2=C6H11-1D4OOH+HO2                       +5.63000000E+009 +9.70000000E-001 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q14-3=C6H11-3D1OOH+HO2                       +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q14-5=C6H11-2D6OOH+HO2                       +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q15-2=C6H11-1D5OOH+HO2                       +5.63000000E+009 +9.70000000E-001 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q15-4=C6H11-2D6OOH+HO2                       +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q15-6=C6H11-1D6OOH+HO2                       +1.78000000E+012 +2.40000000E-001 +1.57000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q23-1=C6H11-1D3OOH+HO2                       +5.63000000E+009 +9.70000000E-001 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q23-4=C6H11-3D2OOH+HO2                       +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q24-1=C6H11-1D4OOH+HO2                       +1.78000000E+012 +2.40000000E-001 +1.57000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q24-3=C6H11-2D4OOH+HO2                       +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q24-3=C6H11-3D2OOH+HO2                       +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q24-5=C6H11-2D5OOH+HO2                       +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q25-1=C6H11-1D5OOH+HO2                       +5.63000000E+009 +9.70000000E-001 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q25-3=C6H11-2D5OOH+HO2                       +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q34-2=C6H11-2D4OOH+HO2                       +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11-1D4OOH=>AC3H5CHO+C2H5+OH                    +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C6H11-1D4OOH=>C3H5-A+C2H5CHO+OH                   +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C6H11-1D5OOH=>C4H71-4+CH3CHO+OH                   +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C6H11-1D6OOH=>C5H91-5+CH2O+OH                     +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C6H11-2D6OOH=>C5H92-5+CH2O+OH                     +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11-3D1OOH=>C5H91-3+CH2O+OH                     +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11-3D2OOH=>CH3CHO+C4H71-1+OH                   +1.50000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q12-3=C6H11O13-2OOH+OH                       +9.51000000E+011 +0.00000000E+000 +1.63309000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q12-3=C6H11O23-1OOH+OH                       4.44E+09    0.916    9389!+1.77500000E+012 +0.00000000E+000 +1.27019000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q12-4=C6H11O14-2OOH+OH                       +2.77000000E+010 +0.00000000E+000 +1.05011000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q12-4=C6H11O24-1OOH+OH                       +6.34000000E+011 +0.00000000E+000 +1.76121000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q12-5=C6H11O15-2OOH+OH                       +1.04000000E+010 +0.00000000E+000 +1.11370000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q12-5=C6H11O25-1OOH+OH                       +4.81000000E+007 +9.40000000E-001 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q12-6=C6H11O15-6OOH+OH                       +1.04000000E+010 +0.00000000E+000 +1.19079000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q13-2=C6H11O12-3OOH+OH                       +3.55000000E+012 +0.00000000E+000 +1.07140000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q13-2=C6H11O23-1OOH+OH                       4.44E+09    0.916    9389!+1.77500000E+012 +0.00000000E+000 +1.27019000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q13-4=C6H11O14-3OOH+OH                       +2.77000000E+010 +0.00000000E+000 +1.00678000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q13-4=C6H11O34-1OOH+OH                       4.44E+09    0.916    9389!+1.77500000E+012 +0.00000000E+000 +1.27019000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q13-5=C6H11O15-3OOH+OH                       +1.04000000E+010 +0.00000000E+000 +1.11370000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q13-5=C6H11O24-6OOH+OH                       +6.34000000E+011 +0.00000000E+000 +1.76121000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q13-6=C6H11O14-6OOH+OH                       +2.77000000E+010 +0.00000000E+000 +1.15728000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q14-2=C6H11O12-4OOH+OH                       +3.55000000E+012 +0.00000000E+000 +1.07140000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q14-2=C6H11O24-1OOH+OH                       +6.34000000E+011 +0.00000000E+000 +1.73233000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q14-3=C6H11O13-4OOH+OH                       +9.51000000E+011 +0.00000000E+000 +1.63309000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q14-3=C6H11O34-1OOH+OH                       4.44E+09    0.916    9389!+1.77500000E+012 +0.00000000E+000 +1.27019000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q14-5=C6H11O15-4OOH+OH                       +1.04000000E+010 +0.00000000E+000 +1.08254000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q14-5=C6H11O23-6OOH+OH                       4.44E+09    0.916    9389!+1.77500000E+012 +0.00000000E+000 +1.27019000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q14-6=C6H11O13-6OOH+OH                       +6.34000000E+011 +0.00000000E+000 +1.73342000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q15-2=C6H11O12-5OOH+OH                       +3.55000000E+012 +0.00000000E+000 +1.07140000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q15-2=C6H11O25-1OOH+OH                       +2.77000000E+010 +0.00000000E+000 +1.10564000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q15-3=C6H11O13-5OOH+OH                       +9.51000000E+011 +0.00000000E+000 +1.66197000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q15-3=C6H11O24-6OOH+OH                       +6.34000000E+011 +0.00000000E+000 +1.76121000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q15-4=C6H11O14-5OOH+OH                       +2.77000000E+010 +0.00000000E+000 +1.00678000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q15-4=C6H11O23-6OOH+OH                       4.44E+09    0.916    9389!+1.77500000E+012 +0.00000000E+000 +1.27019000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q15-6=C6H11O12-6OOH+OH                       +3.55000000E+012 +0.00000000E+000 +1.23719000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q23-1=C6H11O12-3OOH+OH                       +3.55000000E+012 +0.00000000E+000 +1.23719000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q23-1=C6H11O13-2OOH+OH                       +6.34000000E+011 +0.00000000E+000 +1.73722000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q23-4=C6H11O24-3OOH+OH                       +6.34000000E+011 +0.00000000E+000 +1.73233000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q23-4=C6H11O34-2OOH+OH                       4.44E+09    0.916    9389!+1.77500000E+012 +0.00000000E+000 +1.27019000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q23-5=C6H11O25-3OOH+OH                       +4.81000000E+007 +9.40000000E-001 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q23-5=C6H11O24-5OOH+OH                       +6.34000000E+011 +0.00000000E+000 +1.76121000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q23-6=C6H11O15-4OOH+OH                       +1.04000000E+010 +0.00000000E+000 +1.19079000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q23-6=C6H11O14-5OOH+OH                       +2.77000000E+010 +0.00000000E+000 +1.15728000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q24-1=C6H11O12-4OOH+OH                       +3.55000000E+012 +0.00000000E+000 +1.23719000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q24-1=C6H11O14-2OOH+OH                       +2.77000000E+010 +0.00000000E+000 +1.16298000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q24-3=C6H11O23-4OOH+OH                       4.44E+09    0.916    9389!+1.77500000E+012 +0.00000000E+000 +1.27019000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q24-3=C6H11O34-2OOH+OH                       4.44E+09    0.916    9389!+1.77500000E+012 +0.00000000E+000 +1.27019000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q24-5=C6H11O25-3OOH+OH                       +2.77000000E+010 +0.00000000E+000 +1.10564000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q24-5=C6H11O23-5OOH+OH                       4.44E+09    0.916    9389!+1.77500000E+012 +0.00000000E+000 +1.27019000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q24-6=C6H11O15-3OOH+OH                       +1.04000000E+010 +0.00000000E+000 +1.19079000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q24-6=C6H11O13-5OOH+OH                       +6.34000000E+011 +0.00000000E+000 +1.73342000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q25-1=C6H11O12-5OOH+OH                       +3.55000000E+012 +0.00000000E+000 +1.23719000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q25-1=C6H11O15-2OOH+OH                       +1.04000000E+010 +0.00000000E+000 +1.19489000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q25-3=C6H11O23-5OOH+OH                       4.44E+09    0.916    9389!+1.77500000E+012 +0.00000000E+000 +1.27019000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q25-3=C6H11O24-5OOH+OH                       +6.34000000E+011 +0.00000000E+000 +1.73233000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q34-1=C6H11O13-4OOH+OH                       +6.34000000E+011 +0.00000000E+000 +1.73342000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q34-1=C6H11O14-3OOH+OH                       +2.77000000E+010 +0.00000000E+000 +1.15728000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q34-2=C6H11O23-4OOH+OH                       4.44E+09    0.916    9389!+1.77500000E+012 +0.00000000E+000 +1.27019000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q34-2=C6H11O24-3OOH+OH                       +6.34000000E+011 +0.00000000E+000 +1.73233000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: CETH-OOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C6H11O12-3OOH=>CH2CHO+NC3H7CHO+OH                 +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11O12-4OOH=>C3H5O+C2H5CHO+OH                   +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11O12-5OOH=>C4H7O12-4+CH3CHO+OH                +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11O12-6OOH=>C5H9O12-5+CH2O+OH                  +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11O13-2OOH=>CH2CHO+NC3H7CHO+OH                 +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11O13-4OOH=>CH2CH2CHO+C2H5CHO+OH               +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11O13-5OOH=>C4H7O13-4+CH3CHO+OH                +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11O13-6OOH=>C5H9O13-5+CH2O+OH                  +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11O14-2OOH=>CH2O+PC4H8CHO-2+OH                 +1.50000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11O14-3OOH=>CH2CH2CHO+C2H5CHO+OH               +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11O14-5OOH=>C3H6CHO-3+CH3CHO+OH                +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11O14-6OOH=>C5H9O14-5+CH2O+OH                  +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11O15-2OOH=>CH2O+PC4H8CHO-3+OH                 +1.50000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11O15-3OOH=>C3H6+CH2CHO+CH2O+OH                +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11O15-4OOH=>C3H6CHO-3+CH3CHO+OH                +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11O15-6OOH=>PC4H8CHO-4+CH2O+OH                 +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11O23-1OOH=>CH2O+PC4H8CHO-1+OH                 +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11O23-4OOH=>CH3CHCHO+C2H5CHO+OH                +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11O23-5OOH=>C4H7O23-1+CH3CHO+OH                +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11O23-6OOH=>C5H9O23-5+CH2O+OH                  +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11O24-1OOH=>CH2O+PC4H8CHO-2+OH                 +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11O24-3OOH=>CH3CHCHO+C2H5CHO+OH                +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11O24-5OOH=>C3H6CHO-2+CH3CHO+OH                +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11O24-6OOH=>C5H9O24-1+CH2O+OH                  +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11O25-1OOH=>CH2O+PC4H8CHO-3+OH                 +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11O25-3OOH=>CH3CHO+C3H6CHO-2+OH                +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11O34-1OOH=>CH2O+C5H9O23-1+OH                  +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11O34-2OOH=>CH3CHO+C3H6CHO-1+OH                +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: CETH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C6H12O1-2+OH=>CH2CO+PC4H9+H2O                     +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12O1-2+OH=>C2H3CHO+NC3H7+H2O                   +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12O1-3+OH=>C2H4+NC3H7CO+H2O                    +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12O1-3+OH=>HCO+C5H10-1+H2O                     +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12O1-4+OH=>C2H4+C2H5COCH2+H2O                  +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12O1-4+OH=>CH2CHO+C4H8-1+H2O                   +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12O1-5+OH=>C2H4+CH2CH2COCH3+H2O                +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12O1-5+OH=>CH2CH2CHO+C3H6+H2O                  +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12O2-3+OH=>C2H3COCH3+C2H5+H2O                  +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12O2-3+OH=>CH3CHCO+NC3H7+H2O                   +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12O2-4+OH=>C4H8-1+CH3CO+H2O                    +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12O2-4+OH=>C2H5CO+C3H6+H2O                     +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12O2-5+OH=>C3H6+CH3COCH2+H2O                   +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12O3-4+OH=>C2H5+C2H5CHCO+H2O                   +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12O1-2+HO2=>CH2CO+PC4H9+H2O2                   +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12O1-2+HO2=>C2H3CHO+NC3H7+H2O2                 +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12O1-3+HO2=>C2H4+NC3H7CO+H2O2                  +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12O1-3+HO2=>HCO+C5H10-1+H2O2                   +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12O1-4+HO2=>C2H4+C2H5COCH2+H2O2                +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12O1-4+HO2=>CH2CHO+C4H8-1+H2O2                 +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12O1-5+HO2=>C2H4+CH2CH2COCH3+H2O2              +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12O1-5+HO2=>CH2CH2CHO+C3H6+H2O2                +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12O2-3+HO2=>C2H3COCH3+C2H5+H2O2                +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12O2-3+HO2=>CH3CHCO+NC3H7+H2O2                 +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12O2-4+HO2=>C4H8-1+CH3CO+H2O2                  +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12O2-4+HO2=>C2H5CO+C3H6+H2O2                   +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12O2-5+HO2=>C3H6+CH3COCH2+H2O2                 +1.00000000E+013 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12O3-4+HO2=>C2H5+C2H5CHCO+H2O2                 +1.00000000E+013 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 220419, DUP!CH3COOH=CH4+CO2                                   +1.50000000E+013 +0.00000000E+000 +7.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 220419, DUP!CH3COOH=H2O+CH2CO                                 +1.40000000E+012 +0.00000000E+000 +6.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH3COOH=>CO+OH+CH3                                +7.50000000E+015 +0.00000000E+000 +9.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH3COOH=>CH3+CO2+H                                +2.50000000E+014 +0.00000000E+000 +8.80000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H5COOH=>C2H6+CO2                                +1.50000000E+013 +0.00000000E+000 +7.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H5COOH=>H2O+CH3CHCO                             +1.40000000E+012 +0.00000000E+000 +6.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H5COOH=>CO+OH+C2H5                              +7.50000000E+015 +0.00000000E+000 +9.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H5COOH=>CO2+C2H5+H                              +2.50000000E+014 +0.00000000E+000 +8.80000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-1+CH3=C6H13O-1+CH3O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-2+CH3=C6H13O-2+CH3O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-3+CH3=C6H13O-3+CH3O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-1+C2H5=C6H13O-1+C2H5O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-2+C2H5=C6H13O-2+C2H5O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-3+C2H5=C6H13O-3+C2H5O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-2O2+CH3=>CH3O+C6H12OOH1-2O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-3O2+CH3=>CH3O+C6H12OOH1-3O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-4O2+CH3=>CH3O+C6H12OOH1-4O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-5O2+CH3=>CH3O+C6H12OOH1-5O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-1O2+CH3=>CH3O+C6H12OOH2-1O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-3O2+CH3=>CH3O+C6H12OOH2-3O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-4O2+CH3=>CH3O+C6H12OOH2-4O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-5O2+CH3=>CH3O+C6H12OOH2-5O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-6O2+CH3=>CH3O+C6H12OOH2-6O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-1O2+CH3=>CH3O+C6H12OOH3-1O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-2O2+CH3=>CH3O+C6H12OOH3-2O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-4O2+CH3=>CH3O+C6H12OOH3-4O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-5O2+CH3=>CH3O+C6H12OOH3-5O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-6O2+CH3=>CH3O+C6H12OOH3-6O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-3O=>C3KET13+NC3H7                       +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-4O=>NC4KET14+C2H5                       +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-5O=>NC5KET15+CH3                        +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-3O=>C3KET12+NC3H7                       +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-4O=>NC4KET13+C2H5                       +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-5O=>NC5KET14+CH3                        +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-6O=>CH2O+C5H10OOH2-5                    +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-1O=>CH2O+C5H10OOH2-1                    +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-2O=>CH3+NC5KET12                        +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-4O=>NC4KET12+C2H5                       +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-5O=>CH3+NC5KET13                        +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-6O=>CH2O+C5H10OOH3-1                    +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-3O=>C2H4O2H+NC3H7CHO                    +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-4O=>C3H6OOH1-3+C2H5CHO                  +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-5O=>C4H8OOH1-4+CH3CHO                   +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-4O=>C3H6OOH2-1+C2H5CHO                  +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-5O=>C4H8OOH2-4+CH3CHO                   +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-5O=>C4H8OOH2-1+CH3CHO                   +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-2O2+C6H13-1=>C6H13O-1+C6H12OOH1-2O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-3O2+C6H13-1=>C6H13O-1+C6H12OOH1-3O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-4O2+C6H13-1=>C6H13O-1+C6H12OOH1-4O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-5O2+C6H13-1=>C6H13O-1+C6H12OOH1-5O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C6H12OOH2-3O2+C6H13-1=>C6H13O-1+C6H12OOH2-3O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C6H12OOH2-6O2+C6H13-2=>C6H13O-2+C6H12OOH2-6O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C6H12OOH3-2O2+C6H13-2=>C6H13O-2+C6H12OOH3-2O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-4O2+C6H13-2=>C6H13O-2+C6H12OOH3-4O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-5O2+C6H13-2=>C6H13O-2+C6H12OOH3-5O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-6O2+C6H13-2=>C6H13O-2+C6H12OOH3-6O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-2O2+C6H13-3=>C6H13O-3+C6H12OOH1-2O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-3O2+C6H13-3=>C6H13O-3+C6H12OOH1-3O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-4O2+C6H13-3=>C6H13O-3+C6H12OOH1-4O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-5O2+C6H13-3=>C6H13O-3+C6H12OOH1-5O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-1O2+C6H13-3=>C6H13O-3+C6H12OOH2-1O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-3O2+C6H13-3=>C6H13O-3+C6H12OOH2-3O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-4O2+C6H13-3=>C6H13O-3+C6H12OOH2-4O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-5O2+C6H13-3=>C6H13O-3+C6H12OOH2-5O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-6O2+C6H13-3=>C6H13O-3+C6H12OOH2-6O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-1O2+C6H13-3=>C6H13O-3+C6H12OOH3-1O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-2O2+C6H13-3=>C6H13O-3+C6H12OOH3-2O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-4O2+C6H13-3=>C6H13O-3+C6H12OOH3-4O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-5O2+C6H13-3=>C6H13O-3+C6H12OOH3-5O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-6O2+C6H13-3=>C6H13O-3+C6H12OOH3-6O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H8D14+OH=CH2O+C4H71-3                           +1.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H8D14+OH=C2H3CHO+C2H5                           +1.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H8D14+OH=CH3CHO+C3H5-S                          +1.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: UNDEFINED
!___________________________________________________________________________________________________________ 
NC6H14=CH3+C5H11-1                                +8.78000000E+039 -6.70000000E+000 +9.91540000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.92000000E+094 -2.30500000E+001 +1.24349000E+005 /
PLOG /                           +1.00000000E-001 +7.10000000E+083 -1.97500000E+001 +1.21206000E+005 /
PLOG /                           +1.00000000E+000 +3.98000000E+068 -1.51400000E+001 +1.14401000E+005 /
PLOG /                           +2.00000000E+000 +2.52000000E+063 -1.35900000E+001 +1.11809000E+005 /
PLOG /                           +5.00000000E+000 +2.51000000E+056 -1.15200000E+001 +1.08177000E+005 /
PLOG /                           +1.00000000E+001 +1.45000000E+051 -9.98000000E+000 +1.05372000E+005 /
PLOG /                           +2.00000000E+001 +1.30000000E+046 -8.50000000E+000 +1.02608000E+005 /
PLOG /                           +5.00000000E+001 +8.78000000E+039 -6.70000000E+000 +9.91540000E+004 /
NC6H14=C2H5+PC4H9                                 +3.73000000E+041 -6.97000000E+000 +9.78110000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.84000000E+096 -2.34900000E+001 +1.23675000E+005 /
PLOG /                           +1.00000000E-001 +3.95000000E+085 -2.00400000E+001 +1.20116000E+005 /
PLOG /                           +1.00000000E+000 +1.16000000E+070 -1.53500000E+001 +1.13057000E+005 /
PLOG /                           +2.00000000E+000 +6.94000000E+064 -1.38000000E+001 +1.10428000E+005 /
PLOG /                           +5.00000000E+000 +7.03000000E+057 -1.17400000E+001 +1.06773000E+005 /
PLOG /                           +1.00000000E+001 +4.38000000E+052 -1.02100000E+001 +1.03971000E+005 /
PLOG /                           +2.00000000E+001 +4.45000000E+047 -8.74000000E+000 +1.01224000E+005 /
PLOG /                           +5.00000000E+001 +3.73000000E+041 -6.97000000E+000 +9.78110000E+004 /
NC6H14=NC3H7+NC3H7                                +2.07000000E+043 -7.47000000E+000 +9.86690000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.73000000E+097 -2.38900000E+001 +1.24152000E+005 /
PLOG /                           +1.00000000E-001 +1.93000000E+087 -2.05300000E+001 +1.20839000E+005 /
PLOG /                           +1.00000000E+000 +8.22000000E+071 -1.58900000E+001 +1.13924000E+005 /
PLOG /                           +2.00000000E+000 +5.07000000E+066 -1.43400000E+001 +1.11315000E+005 /
PLOG /                           +5.00000000E+000 +5.06000000E+059 -1.22700000E+001 +1.07672000E+005 /
PLOG /                           +1.00000000E+001 +3.00000000E+054 -1.07400000E+001 +1.04866000E+005 /
PLOG /                           +2.00000000E+001 +2.82000000E+049 -9.26000000E+000 +1.02108000E+005 /
PLOG /                           +5.00000000E+001 +2.07000000E+043 -7.47000000E+000 +9.86690000E+004 /
NC6H14=C6H13-1+H                                  +5.14000000E+039 -6.89000000E+000 +1.13232000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.14000000E+082 -2.00700000E+001 +1.28443000E+005 /
PLOG /                           +1.00000000E-001 +4.84000000E+078 -1.87200000E+001 +1.30156000E+005 /
PLOG /                           +1.00000000E+000 +1.57000000E+068 -1.53900000E+001 +1.27126000E+005 /
PLOG /                           +2.00000000E+000 +5.74000000E+063 -1.40400000E+001 +1.25268000E+005 /
PLOG /                           +5.00000000E+000 +1.75000000E+057 -1.20800000E+001 +1.22267000E+005 /
PLOG /                           +1.00000000E+001 +9.88000000E+051 -1.05100000E+001 +1.19684000E+005 /
PLOG /                           +2.00000000E+001 +4.44000000E+046 -8.93000000E+000 +1.16936000E+005 /
PLOG /                           +5.00000000E+001 +5.14000000E+039 -6.89000000E+000 +1.13232000E+005 /
NC6H14=C6H13-2+H                                  +2.41000000E+039 -6.79000000E+000 +1.09502000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +7.12000000E+085 -2.10900000E+001 +1.27902000E+005 /
PLOG /                           +1.00000000E-001 +2.57000000E+080 -1.91600000E+001 +1.28267000E+005 /
PLOG /                           +1.00000000E+000 +2.05000000E+068 -1.53900000E+001 +1.24032000E+005 /
PLOG /                           +2.00000000E+000 +3.71000000E+063 -1.39500000E+001 +1.21912000E+005 /
PLOG /                           +5.00000000E+000 +6.39000000E+056 -1.19300000E+001 +1.18663000E+005 /
PLOG /                           +1.00000000E+001 +3.07000000E+051 -1.03500000E+001 +1.15970000E+005 /
PLOG /                           +2.00000000E+001 +1.46000000E+046 -8.78000000E+000 +1.13177000E+005 /
PLOG /                           +5.00000000E+001 +2.41000000E+039 -6.79000000E+000 +1.09502000E+005 /
NC6H14=C6H13-3+H                                  +2.41000000E+039 -6.79000000E+000 +1.09502000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +7.12000000E+085 -2.10900000E+001 +1.27902000E+005 /
PLOG /                           +1.00000000E-001 +2.57000000E+080 -1.91600000E+001 +1.28267000E+005 /
PLOG /                           +1.00000000E+000 +2.05000000E+068 -1.53900000E+001 +1.24032000E+005 /
PLOG /                           +2.00000000E+000 +3.71000000E+063 -1.39500000E+001 +1.21912000E+005 /
PLOG /                           +5.00000000E+000 +6.39000000E+056 -1.19300000E+001 +1.18663000E+005 /
PLOG /                           +1.00000000E+001 +3.07000000E+051 -1.03500000E+001 +1.15970000E+005 /
PLOG /                           +2.00000000E+001 +1.46000000E+046 -8.78000000E+000 +1.13177000E+005 /
PLOG /                           +5.00000000E+001 +2.41000000E+039 -6.79000000E+000 +1.09502000E+005 /
NC6H14+H=C6H13-1+H2                               +3.49000000E+005 +2.69000000E+000 +6.45000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+H=C6H13-2+H2                               +2.60000000E+006 +2.40000000E+000 +4.47100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+H=C6H13-3+H2                               +2.60000000E+006 +2.40000000E+000 +4.47100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+O=C6H13-1+OH                               +1.13000000E+014 +0.00000000E+000 +7.85000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+O=C6H13-2+OH                               +5.62000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+O=C6H13-3+OH                               +5.62000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+OH=C6H13-1+H2O                             +2.73000000E+007 +1.81300000E+000 +8.68000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+OH=C6H13-2+H2O                             +1.41000000E+010 +9.35000000E-001 +5.05000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+OH=C6H13-3+H2O                             +1.14000000E+007 +1.81100000E+000 -1.01600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+O2=C6H13-1+HO2                             +4.20000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+O2=C6H13-2+HO2                             +2.80000000E+013 +0.00000000E+000 +5.01600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+O2=C6H13-3+HO2                             +2.80000000E+013 +0.00000000E+000 +5.01600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+HO2=C6H13-1+H2O2                           +2.08000000E+001 +3.59000000E+000 +1.56000000E+004 !\Author: SP !\Ref: 60% OF NEW FIT !\Comment: WARNING 
NC6H14+HO2=C6H13-2+H2O2                           +1.26000000E+002 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+HO2=C6H13-3+H2O2                           +1.26000000E+002 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+CH3=C6H13-1+CH4                            +9.04000000E-001 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+CH3=C6H13-2+CH4                            +3.02000000E+000 +3.46000000E+000 +5.48100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+CH3=C6H13-3+CH4                            +3.02000000E+000 +3.46000000E+000 +5.48100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+CH3O=C6H13-1+CH3OH                         +4.34000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+CH3O=C6H13-2+CH3OH                         +2.90000000E+011 +0.00000000E+000 +4.57100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+CH3O=C6H13-3+CH3OH                         +2.90000000E+011 +0.00000000E+000 +4.57100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+O2CHO=C6H13-1+HO2CHO                       +2.08000000E+001 +3.59000000E+000 +1.56000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+O2CHO=C6H13-2+HO2CHO                       +1.26000000E+002 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+O2CHO=C6H13-3+HO2CHO                       +1.26000000E+002 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+CH3O2<=>C6H13-1+CH3O2H                     +2.08000000E+001 +3.59000000E+000 +1.76000000E+004 !\Author: SP !\Ref: 60% OF NEW FIT !\Comment: WARNING 
NC6H14+CH3O2<=>C6H13-2+CH3O2H                     +1.26000000E+002 +3.37000000E+000 +1.52200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+CH3O2<=>C6H13-3+CH3O2H                     +1.26000000E+002 +3.37000000E+000 +1.52200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+C2H5O2<=>C6H13-1+C2H5O2H                   +2.08000000E+001 +3.59000000E+000 +1.76000000E+004 !\Author: SP !\Ref: 60% OF NEW FIT !\Comment: WARNING 
NC6H14+C2H5O2<=>C6H13-2+C2H5O2H                   +1.26000000E+002 +3.37000000E+000 +1.52200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+C2H5O2<=>C6H13-3+C2H5O2H                   +1.26000000E+002 +3.37000000E+000 +1.52200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+CH3CO3<=>CH3CO3H+C6H13-1                   +2.08000000E+001 +3.59000000E+000 +1.56000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+CH3CO3<=>CH3CO3H+C6H13-2                   +1.26000000E+002 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+CH3CO3<=>CH3CO3H+C6H13-3                   +1.26000000E+002 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+C2H3=C6H13-1+C2H4                          +1.00000000E+012 +0.00000000E+000 +1.80000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+C2H3=C6H13-2+C2H4                          +8.00000000E+011 +0.00000000E+000 +1.68000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+C2H3=C6H13-3+C2H4                          +8.00000000E+011 +0.00000000E+000 +1.68000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+C2H5=C6H13-1+C2H6                          +1.00000000E+011 +0.00000000E+000 +1.34000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+C2H5=C6H13-2+C2H6                          +1.00000000E+011 +0.00000000E+000 +1.04000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6H14+C2H5=C6H13-3+C2H6                          +1.00000000E+011 +0.00000000E+000 +1.04000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13-1=C2H4+PC4H9                                +8.26000000E+012 +2.00000000E-001 +2.88911000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13-2=C3H6+NC3H7                                +1.87000000E+012 +4.10000000E-001 +2.82086000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13-3=C2H5+C4H8-1                               +9.43000000E+011 +4.70000000E-001 +2.82383000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13-3=CH3+C5H10-1                               +3.11000000E+010 +1.09000000E+000 +2.97695000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13-1+O2=C6H12-1+HO2                            +8.04700000E+000 +3.32000000E+000 +1.28572000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13-2+O2=C6H12-1+HO2                            +2.64500000E+001 +3.23000000E+000 +1.05918000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13-2+O2=C6H12-2+HO2                            +8.04700000E+000 +3.32000000E+000 +1.28572000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13-3+O2=C6H12-2+HO2                            +8.04700000E+000 +3.32000000E+000 +1.28572000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13-3+O2=C6H12-3+HO2                            +8.04700000E+000 +3.32000000E+000 +1.28572000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13-2=C6H13-3                                   +2.75000000E+010 +7.00000000E-001 +4.18720000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13-1=C6H13-2                                   +1.82000000E+002 +2.55000000E+000 +1.09610000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13-1=C6H13-3                                   +6.92000000E+000 +3.20000000E+000 +1.65590000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13-1+O2=C6H13O2-1                              +6.86000000E+016 -1.62700000E+000 +1.99000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13-2+O2=C6H13O2-2                              +3.49000000E+014 -8.16000000E-001 -5.36000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13-3+O2=C6H13O2-3                              +3.49000000E+014 -8.16000000E-001 -5.36000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13-1+HO2=C6H13O-1+OH                           +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13-2+HO2=C6H13O-2+OH                           +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13-3+HO2=C6H13O-3+OH                           +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13-1+CH3O2=C6H13O-1+CH3O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13-2+CH3O2=C6H13O-2+CH3O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13-3+CH3O2=C6H13O-3+CH3O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13-1+C6H13O2-1=C6H13O-1+C6H13O-1               +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13-1+C6H13O2-2=C6H13O-1+C6H13O-2               +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13-1+C6H13O2-3=C6H13O-1+C6H13O-3               +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13-2+C6H13O2-1=C6H13O-2+C6H13O-1               +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13-2+C6H13O2-2=C6H13O-2+C6H13O-2               +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13-2+C6H13O2-3=C6H13O-2+C6H13O-3               +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13-3+C6H13O2-1=C6H13O-3+C6H13O-1               +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13-3+C6H13O2-2=C6H13O-3+C6H13O-2               +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13-3+C6H13O2-3=C6H13O-3+C6H13O-3               +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-1=C6H12OOH1-2                             +4.01000000E+008 +1.10000000E+000 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-1=C6H12OOH1-3                             +1.36000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-1=C6H12OOH1-4                             +3.72000000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-1=C6H12OOH1-5                             +2.60000000E+006 +1.00000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!! C6H13O2-2=C6H12OOH2-1                             +7.29000000E+011 +1.10000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

C6H13O2-2=C6H12OOH2-1                                                1.45680E+09      1.100   33500.0

C6H13O2-2=C6H12OOH2-3                             +1.72000000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-2=C6H12OOH2-4                             +7.03000000E+010 +2.00000000E-001 +1.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-2=C6H12OOH2-5                             +3.72000000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-2=C6H12OOH2-6                             +1.47000000E+005 +1.50000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-3=C6H12OOH3-1                             +1.44000000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-3=C6H12OOH3-2                             +1.72000000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-3=C6H12OOH3-4                             +1.72000000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-3=C6H12OOH3-5                             +7.03000000E+010 +2.00000000E-001 +1.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-3=C6H12OOH3-6                             +1.23000000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-1=C6H12-1+HO2                             +3.87000000E+007 +1.58000000E+000 +2.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-2=C6H12-1+HO2                             +3.60500000E+009 +1.13000000E+000 +3.06000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-2=C6H12-2+HO2                             +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-3=C6H12-2+HO2                             +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-3=C6H12-3+HO2                             +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13OOH-1+O2=C6H13O2-1+HO2                       +3.75000000E+013 -8.00000000E-001 +3.36205000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13OOH-2+O2=C6H13O2-2+HO2                       +4.38000000E+013 -8.00000000E-001 +3.36400000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13OOH-3+O2=C6H13O2-3+HO2                       +4.38000000E+013 -8.00000000E-001 +3.36400000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13OOH-1+HO2=C6H13O2-1+H2O2                     +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13OOH-2+HO2=C6H13O2-2+H2O2                     +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13OOH-3+HO2=C6H13O2-3+H2O2                     +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-1+NC6H14=C6H13OOH-1+C6H13-1               +1.21000000E+013 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-1+NC6H14=C6H13OOH-1+C6H13-2               +8.06000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-1+NC6H14=C6H13OOH-1+C6H13-3               +8.06000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-2+NC6H14=C6H13OOH-2+C6H13-1               +1.21000000E+013 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-2+NC6H14=C6H13OOH-2+C6H13-2               +8.06000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-2+NC6H14=C6H13OOH-2+C6H13-3               +8.06000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-3+NC6H14=C6H13OOH-3+C6H13-1               +1.21000000E+013 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-3+NC6H14=C6H13OOH-3+C6H13-2               +8.06000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-3+NC6H14=C6H13OOH-3+C6H13-3               +8.06000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-1+CH3O2=>C6H13O-1+CH3O+O2                 +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-2+CH3O2=>C6H13O-2+CH3O+O2                 +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-3+CH3O2=>C6H13O-3+CH3O+O2                 +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-1+C6H13O2-1=>C6H13O-1+C6H13O-1+O2         +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-1+C6H13O2-2=>C6H13O-1+C6H13O-2+O2         +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-1+C6H13O2-3=>C6H13O-1+C6H13O-3+O2         +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-2+C6H13O2-2=>C6H13O-2+C6H13O-2+O2         +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-2+C6H13O2-3=>C6H13O-2+C6H13O-3+O2         +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O2-3+C6H13O2-3=>C6H13O-3+C6H13O-3+O2         +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13OOH-1=C6H13O-1+OH                            +1.50000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13OOH-2=C6H13O-2+OH                            +1.05000000E+016 +0.00000000E+000 +4.12000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13OOH-3=C6H13O-3+OH                            +1.05000000E+016 +0.00000000E+000 +4.12000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O-1=CH2O+C5H11-1                             +2.00000000E+013 +0.00000000E+000 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O-2=CH3CHO+PC4H9                             +2.00000000E+013 +0.00000000E+000 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H13O-3=C2H5CHO+NC3H7                            +2.00000000E+013 +0.00000000E+000 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-2=C6H12O1-2+OH                          +3.55000000E+012 +0.00000000E+000 +1.07140000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-3=C6H12O1-3+OH                          +9.51000000E+011 +0.00000000E+000 +1.66197000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-4=C6H12O1-4+OH                          +2.77000000E+010 +0.00000000E+000 +1.05011000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-5=C6H12O1-5+OH                          +1.04000000E+010 +0.00000000E+000 +1.11370000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-1=C6H12O1-2+OH                          +3.55000000E+012 +0.00000000E+000 +1.23719000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-3=C6H12O2-3+OH                          4.44E+09    0.916    9389!+1.77500000E+012 +0.00000000E+000 +1.27019000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-4=C6H12O2-4+OH                          +6.34000000E+011 +0.00000000E+000 +1.76121000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-5=C6H12O2-5+OH                          +4.81000000E+007 +9.40000000E-001 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-6=C6H12O1-5+OH                          +1.04000000E+010 +0.00000000E+000 +1.19079000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-1=C6H12O1-3+OH                          +6.34000000E+011 +0.00000000E+000 +1.73342000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-2=C6H12O2-3+OH                          4.44E+09    0.916    9389!+1.77500000E+012 +0.00000000E+000 +1.27019000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-4=C6H12O3-4+OH                          4.44E+09    0.916    9389!+1.77500000E+012 +0.00000000E+000 +1.27019000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-5=C6H12O2-4+OH                          +6.34000000E+011 +0.00000000E+000 +1.76121000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-6=C6H12O1-4+OH                          +2.77000000E+010 +0.00000000E+000 +1.15728000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-1+HO2<=>C6H12OOH1-2                         +2.82000000E+004 +2.49000000E+000 +1.47340000E+004 !\Author: WARNING !\Ref: ZADOR, J., KLIPPENSTEIN, S. J., & MILLER, J. A.(2011). THE JOURNAL OF PHYSICAL CHEMISTRY A, 115(36), 10218-10225. !\Comment: WARNING 
C6H12-1+HO2<=>C6H12OOH2-1                         +1.36000000E+002 +3.00000000E+000 +1.24840000E+004 !\Author: WARNING !\Ref: ZADOR, J., KLIPPENSTEIN, S. J., & MILLER, J. A.(2011). THE JOURNAL OF PHYSICAL CHEMISTRY A, 115(36), 10218-10225. !\Comment: WARNING 
C6H12-2+HO2<=>C6H12OOH2-3                         +4.78000000E+003 +2.58000000E+000 +1.03470000E+004 !\Author: WARNING !\Ref: ZADOR, J., KLIPPENSTEIN, S. J., & MILLER, J. A.(2011). THE JOURNAL OF PHYSICAL CHEMISTRY A, 115(36), 10218-10225. !\Comment: WARNING 
C6H12-2+HO2<=>C6H12OOH3-2                         +4.78000000E+003 +2.58000000E+000 +1.03470000E+004 !\Author: WARNING !\Ref: ZADOR, J., KLIPPENSTEIN, S. J., & MILLER, J. A.(2011). THE JOURNAL OF PHYSICAL CHEMISTRY A, 115(36), 10218-10225. !\Comment: WARNING 
C6H12-3+HO2<=>C6H12OOH3-4                         +9.56000000E+003 +2.58000000E+000 +1.03470000E+004 !\Author: WARNING !\Ref: ZADOR, J., KLIPPENSTEIN, S. J., & MILLER, J. A.(2011). THE JOURNAL OF PHYSICAL CHEMISTRY A, 115(36), 10218-10225. !\Comment: WARNING 
!DONG 0923!C6H12-1+HO2=C6H12O1-2+OH                          +2.73000000E+021 -2.51400000E+000 +2.78570000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!C6H12-2+HO2=C6H12O2-3+OH                          +8.37000000E+020 -2.28300000E+000 +2.28380000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!C6H12-3+HO2=C6H12O3-4+OH                          +8.37000000E+020 -2.28300000E+000 +2.28380000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!FH_VINYLIC_HO2-ADDITION________________________________________________________

C6H12-1+HO2=C6H12O1-2+OH                               2.73E+21   -2.514   27857 !WAGNON1@LLNL.GOV! AS C4H8-1+HO2=CYETH+OH SUP.MAT. ZADOR JPCA 115 (2011) 10218-10225
PLOG /  1.32E-02  2.96E+03    2.451   12199 / 
PLOG /  1.00E+00  1.69E+10    0.514   16606 / 
PLOG /  1.00E+01  2.19E+17   -1.476   22209 / 
PLOG /  1.00E+02  2.73E+21   -2.514   27857 / 

C6H12-2+HO2=C6H12O2-3+OH                               8.37E+20   -2.283   22838 !WAGNON1@LLNL.GOV! AS C4H8-2+HO2=CYETH+OH SUP.MAT. ZADOR JPCA 115 (2011) 10218-10225
PLOG /  1.32E-02  7.62E+05    1.926   10745 / 
PLOG /  1.00E+00  1.79E+08    1.251   12370 / 
PLOG /  1.00E+01  1.74E+15   -0.740   17220 / 
PLOG /  1.00E+02  8.37E+20   -2.283   22838 / 

C6H12-3+HO2=C6H12O3-4+OH                               8.37E+20   -2.283   22838 !WAGNON1@LLNL.GOV! AS C4H8-2+HO2=CYETH+OH SUP.MAT. ZADOR JPCA 115 (2011) 10218-10225
PLOG /  1.32E-02  7.62E+05    1.926   10745 / 
PLOG /  1.00E+00  1.79E+08    1.251   12370 / 
PLOG /  1.00E+01  1.74E+15   -0.740   17220 / 
PLOG /  1.00E+02  8.37E+20   -2.283   22838 / 
!

C6H12OOH1-3=>CH2O+C5H10-1+OH                      +3.08100000E+013 +0.00000000E+000 +2.73519000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-4=>CH3CHO+C4H8-1+OH                     +3.08100000E+013 +0.00000000E+000 +2.49095000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-1=>NC3H7CHO+C2H4+OH                     +3.08100000E+013 +0.00000000E+000 +2.46155000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-5=>C2H5CHO+C3H6+OH                      +3.08100000E+013 +0.00000000E+000 +2.55519000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-4=C2H4O2H+C4H8-1                        +1.39200000E+014 +0.00000000E+000 +2.80900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-5=C3H6OOH2-1+C3H6                       +1.39200000E+014 +0.00000000E+000 +2.96122000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-6=C4H8OOH2-1+C2H4                       +1.39200000E+014 +0.00000000E+000 +2.81364000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-2+O2=C6H12OOH1-2O2                      +1.56000000E+014 -8.16000000E-001 -5.36000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-3+O2=C6H12OOH1-3O2                      +1.56000000E+014 -8.16000000E-001 -5.36000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-4+O2=C6H12OOH1-4O2                      +1.56000000E+014 -8.16000000E-001 -5.36000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-5+O2=C6H12OOH1-5O2                      +1.56000000E+014 -8.16000000E-001 -5.36000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-1+O2=C6H12OOH2-1O2                      +3.08700000E+016 -1.62700000E+000 +1.99000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-3+O2=C6H12OOH2-3O2                      +1.56000000E+014 -8.16000000E-001 -5.36000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-4+O2=C6H12OOH2-4O2                      +1.56000000E+014 -8.16000000E-001 -5.36000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-5+O2=C6H12OOH2-5O2                      +1.56000000E+014 -8.16000000E-001 -5.36000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-6+O2=C6H12OOH2-6O2                      +3.08700000E+016 -1.62700000E+000 +1.99000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-1+O2=C6H12OOH3-1O2                      +3.08700000E+016 -1.62700000E+000 +1.99000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-2+O2=C6H12OOH3-2O2                      +1.56000000E+014 -8.16000000E-001 -5.36000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-4+O2=C6H12OOH3-4O2                      +1.56000000E+014 -8.16000000E-001 -5.36000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-5+O2=C6H12OOH3-5O2                      +1.56000000E+014 -8.16000000E-001 -5.36000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-6+O2=C6H12OOH3-6O2                      +3.08700000E+016 -1.62700000E+000 +1.99000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-2O2=C6H11-2D1OOH+HO2                    +6.16800000E+009 +1.01000000E+000 +2.87620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-3O2=C6H11-2D1OOH+HO2                    +6.16800000E+009 +1.01000000E+000 +2.87620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-3O2=C6H11-3D1OOH+HO2                    +6.16800000E+009 +1.01000000E+000 +2.87620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-4O2=C6H11-3D1OOH+HO2                    +6.16800000E+009 +1.01000000E+000 +2.87620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-4O2=C6H11-2D6OOH+HO2                    +6.16800000E+009 +1.01000000E+000 +2.87620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-5O2=C6H11-2D6OOH+HO2                    +6.16800000E+009 +1.01000000E+000 +2.87620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-5O2=C6H11-1D6OOH+HO2                    +3.60500000E+009 +1.13000000E+000 +3.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-3O2=C6H11-3D2OOH+HO2                    +6.16800000E+009 +1.01000000E+000 +2.87620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-4O2=C6H11-3D2OOH+HO2                    +6.16800000E+009 +1.01000000E+000 +2.87620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-4O2=C6H11-2D5OOH+HO2                    +6.16800000E+009 +1.01000000E+000 +2.87620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-5O2=C6H11-2D5OOH+HO2                    +6.16800000E+009 +1.01000000E+000 +2.87620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-5O2=C6H11-1D5OOH+HO2                    +3.60500000E+009 +1.13000000E+000 +3.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-6O2=C6H11-1D5OOH+HO2                    +3.87000000E+007 +1.58000000E+000 +2.79000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-1O2=C6H11-1D3OOH+HO2                    +3.87000000E+007 +1.58000000E+000 +2.79000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-2O2=C6H11-1D3OOH+HO2                    +3.60500000E+009 +1.13000000E+000 +3.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-4O2=C6H11-2D4OOH+HO2                    +6.16800000E+009 +1.01000000E+000 +2.87620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-5O2=C6H11-2D4OOH+HO2                    +6.16800000E+009 +1.01000000E+000 +2.87620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-5O2=C6H11-1D4OOH+HO2                    +3.60500000E+009 +1.13000000E+000 +3.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-6O2=C6H11-1D4OOH+HO2                    +3.87000000E+007 +1.58000000E+000 +2.79000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-2O2=C6H11Q12-3                          +1.72000000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-2O2=C6H11Q12-4                          +7.03000000E+010 +2.00000000E-001 +1.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-2O2=C6H11Q12-5                          +3.72000000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-2O2=C6H11Q12-6                          +1.47000000E+005 +1.50000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-3O2=C6H11Q13-2                          +1.72000000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-3O2=C6H11Q13-4                          +1.72000000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-3O2=C6H11Q13-5                          +7.03000000E+010 +2.00000000E-001 +1.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-3O2=C6H11Q13-6                          +6.17000000E+005 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-4O2=C6H11Q14-2                          +7.03000000E+010 +2.00000000E-001 +1.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-4O2=C6H11Q14-3                          +1.72000000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-4O2=C6H11Q14-5                          +1.72000000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-4O2=C6H11Q14-6                          +1.44000000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-5O2=C6H11Q15-2                          +3.72000000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-5O2=C6H11Q15-3                          +7.03000000E+010 +2.00000000E-001 +1.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-5O2=C6H11Q15-4                          +1.72000000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!C6H12OOH1-5O2=C6H11Q15-6                          +2.11000000E+011 +2.00000000E-001 +3.42000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-5O2=C6H11Q15-6                          +1.45800000E+009 +1.10000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

C6H12OOH2-1O2=C6H11Q12-3                          +1.36000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-1O2=C6H11Q12-4                          +3.72000000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-1O2=C6H11Q12-5                          +2.60000000E+006 +1.00000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-3O2=C6H11Q23-1                          +1.44000000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-3O2=C6H11Q23-4                          +1.72000000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-3O2=C6H11Q23-5                          +7.03000000E+010 +2.00000000E-001 +1.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-3O2=C6H11Q23-6                          +6.17000000E+005 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-4O2=C6H11Q24-1                          +6.17000000E+005 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-4O2=C6H11Q24-3                          +1.72000000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-4O2=C6H11Q24-5                          +1.72000000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-4O2=C6H11Q24-6                          +1.44000000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 


C6H12OOH2-5O2=C6H11Q25-1                          +1.47000000E+005 +1.50000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
!C6H12OOH2-5O2=C6H11Q25-1                          +2.11000000E+011 +2.00000000E-001 +3.42000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-5O2=C6H11Q25-1                          +1.45800000E+009 +1.10000000E+000 +3.35000000E+004  !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP



C6H12OOH2-5O2=C6H11Q25-3                          +7.03000000E+010 +2.00000000E-001 +1.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
C6H12OOH2-5O2=C6H11Q25-3                          +1.72000000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
C6H12OOH2-6O2=C6H11Q15-4                          +3.72000000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-6O2=C6H11Q15-3                          +1.36000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-6O2=C6H11Q15-2                          +4.01000000E+008 +1.10000000E+000 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-1O2=C6H11Q13-2                          +4.01000000E+008 +1.10000000E+000 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-1O2=C6H11Q13-4                          +3.72000000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-1O2=C6H11Q13-5                          +2.60000000E+006 +1.00000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!C6H12OOH3-2O2=C6H11Q23-1                          +2.11000000E+011 +2.00000000E-001 +3.42000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-2O2=C6H11Q23-1                          +1.45800000E+009 +1.10000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 


C6H12OOH3-2O2=C6H11Q23-4                          +7.03000000E+010 +2.00000000E-001 +1.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-2O2=C6H11Q23-5                          +3.72000000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-2O2=C6H11Q23-6                          +1.47000000E+005 +1.50000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-4O2=C6H11Q34-1                          +6.17000000E+005 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
C6H12OOH3-4O2=C6H11Q34-1                          +1.44000000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
C6H12OOH3-4O2=C6H11Q34-2                          +7.03000000E+010 +2.00000000E-001 +1.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
C6H12OOH3-4O2=C6H11Q34-2                          +1.72000000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
C6H12OOH3-5O2=C6H11Q24-6                          +1.47000000E+005 +1.50000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-5O2=C6H11Q24-5                          +3.72000000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-5O2=C6H11Q24-3                          +1.72000000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!C6H12OOH3-5O2=C6H11Q24-1                          +2.11000000E+011 +2.00000000E-001 +3.42000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-5O2=C6H11Q24-1                          +1.45800000E+009 +1.10000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

C6H12OOH3-6O2=C6H11Q14-5                          +2.60000000E+006 +1.00000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-6O2=C6H11Q14-3                          +1.36000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-6O2=C6H11Q14-2                          +4.01000000E+008 +1.10000000E+000 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-2O2=C6KET12+OH                          +2.44000000E+007 +1.60000000E+000 +2.79000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-3O2=C6KET13+OH                          +1.10000000E+004 +2.40000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-4O2=C6KET14+OH                          +1.26000000E+003 +2.20000000E+000 +1.74000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH1-5O2=C6KET15+OH                          +1.11000000E+003 +1.80000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-1O2=C6KET21+OH                          +2.76000000E+008 +1.20000000E+000 +2.57000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-3O2=C6KET23+OH                          +1.75000000E+008 +1.70000000E+000 +2.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-4O2=C6KET24+OH                          +1.75000000E+002 +3.10000000E+000 +1.75000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-5O2=C6KET25+OH                          +2.54000000E+002 +2.60000000E+000 +1.62000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH2-6O2=C6KET26+OH                          +2.00000000E+003 +1.90000000E+000 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-1O2=C6KET31+OH                          +5.79000000E+001 +2.90000000E+000 +1.70000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-2O2=C6KET32+OH                          +1.75000000E+008 +1.70000000E+000 +2.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-4O2=C6KET34+OH                          +1.75000000E+008 +1.70000000E+000 +2.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-5O2=C6KET35+OH                          +1.75000000E+002 +3.10000000E+000 +1.75000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OOH3-6O2=C6KET36+OH                          +3.77000000E+002 +2.20000000E+000 +1.53000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q12-4=>C4H8-1+HO2CH2CHO+OH                   +3.08100000E+013 +0.00000000E+000 +2.68260000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q13-5=>C3KET13+C3H6+OH                       +3.08100000E+013 +0.00000000E+000 +2.49636000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q14-6=>NC4KET14+C2H4+OH                      +3.08100000E+013 +0.00000000E+000 +2.46156000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q15-3=>C4H71-4OOH+CH3CHO+OH                  +3.08100000E+013 +0.00000000E+000 +2.49095000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q15-3=>C5H91-4OOH+CH2O+OH                    +3.08100000E+013 +0.00000000E+000 +2.73307000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q23-5=>C3KET12+C3H6+OH                       +3.08100000E+013 +0.00000000E+000 +2.47199000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q24-6=>NC4KET13+C2H4+OH                      +3.08100000E+013 +0.00000000E+000 +2.46156000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q34-1=>NC4KET12+C2H4+OH                      +3.08100000E+013 +0.00000000E+000 +2.63701000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q12-5=C3H51-2,3OOH+C3H6                      +1.39200000E+014 +0.00000000E+000 +2.72311000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q13-6=C4H71-2,4OOH+C2H4                      +1.39200000E+014 +0.00000000E+000 +2.81365000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11Q23-6=C4H71-2,3OOH+C2H4                      +1.39200000E+014 +0.00000000E+000 +2.81364000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: NC6H14
!----------------------------------------------------------------------------------------------------------------------------------

!------------------------------------------------------------------------------
!\SUBMECH: \C5H9O12-5\C5H9O13-5\C5H9O14-5\C5H9O23-1\C5H9O23-5\C5H9O24-1
!\MECHCOMMENTS:
!\MECHWARNINGS: KPS, 22/07/2015 THESE SPECIES HAVE BEEN MOVED FROM THE "OTHER DECOMPOSITIONS" SECTION OF KWS C6/C7 CHEMISTRY. WE NEED TO TALK ABOUT HOW BEST TO INCLUDE THESE SPECIES
!------------------------------------------------------------------------------
C5H9O12-5=>C3H5O+C2H4                                  4.24E+13    0.000   28810 ! !ESTIMATE
C5H9O13-5=>CH2CH2CHO+C2H4                              4.24E+13    0.000   28810 ! !ESTIMATE
C5H9O14-5=>CH2O+C4H71-4                                4.24E+13    0.000   28810 ! !ESTIMATE
C5H9O23-1=>C2H3CHO+C2H5                                4.24E+13    0.000   28810 ! !ESTIMATE
C5H9O23-5=>CH3CHCHO+C2H4                               4.24E+13    0.000   28810 ! !ESTIMATE
C5H9O24-1=>CH3CHO+C3H5-A                               4.24E+13    0.000   28810 ! !ESTIMATE
!------------------------------------------------------------------------------
!\ENDSUBMECH: \C5H9O12-5\C5H9O13-5\C5H9O14-5\C5H9O23-1\C5H9O23-5\C5H9O24-1
!------------------------------------------------------------------------------

!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C6H12-1\C6H12-2\C6H12-3
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>RO2
!___________________________________________________________________________________________________________ 
C6H12OH-1J2+O2<=>C6H12OH-1O2-2                    +3.48700000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: JB !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL 
C6H12OH-2J1+O2<=>C6H12OH-2O2-1                    +6.86300000E+016 -1.62700000E+000 +1.99000000E+002 !\Author: SD !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL 
C6H12OH-2J3+O2<=>C6H12OH-2O2-3                    +3.48700000E+014 -8.16000000E-001 -5.36000000E+002 !\Author: SD !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL 
C6H12OH-3J2+O2<=>C6H12OH-3O2-2                    +3.48700000E+014 -8.16000000E-001 -5.36000000E+002 !\Author: SD !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL 
C6H12OH-3J4+O2<=>C6H12OH-3O2-4                    +3.48700000E+014 -8.16000000E-001 -5.36000000E+002 !\Author: SD !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: HO2ELIMINATIONFROMRO2
!___________________________________________________________________________________________________________ 
C6H12OH-1O2-2<=>C6H11OH1-1+HO2                    +2.07000000E+013 +0.00000000E+000 +3.29990000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H12OH-1O2-2<=>C6H11OH1-2+HO2                    +3.15000000E+007 +1.58000000E+000 +2.87440000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H12OH-2O2-1<=>C6H11OH2-1+HO2                    +3.65000000E+013 -1.50000000E-001 +3.47900000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H12OH-2O2-3<=>C6H11OH2-2+HO2                    +6.12000000E+014 -4.70000000E-001 +3.45160000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H12OH-2O2-3<=>C6H11OH2-3+HO2                    +3.15000000E+007 +1.58000000E+000 +2.87440000E+004 !\Author: WARNING !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H12OH-3O2-2<=>C6H11OH3-2+HO2                    +6.12000000E+014 -4.70000000E-001 +3.45160000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H12OH-3O2-2<=>C6H11OH3-1+HO2                    +3.86000000E+007 +1.48000000E+000 +2.96310000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
!DONG 0824!C6H12OH-3O2-4<=>C6H11OH3-3+HO2                    +6.12000000E+014 -4.70000000E-001 +3.45160000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
!DONG 0824!C6H12OH-3O2-4<=>C6H11OH4-2+HO2                    +3.15000000E+007 +1.58000000E+000 +2.87440000E+004 !\Author: WARNING !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H11OH1-1+OH=>C6D2Y1+H+H2O                       +1.01000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: SD !\Ref: S. S. VASU ET AL. J. PHYS. CHEM. A, 2011, 115, 2549?556 !\Comment: ANALOGY TO C4H8-1+OH<=>C4H71-3+H2O. DIVIDED BY 2. ALLYLIC H-ATOM ABSTRACTION FOLLOWED 
C6H11OH1-2+OH=>C6D2Y1+H+H2O                       +1.01000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: JB !\Ref: S. S. VASU ET AL. J. PHYS. CHEM. A, 2011, 115, 2549?556 !\Comment: ANALOGY TO C4H8-1+OH<=>C4H71-3+H2O. DIVIDED BY 2. ALLYLIC H-ATOM ABSTRACTION FOLLOWED 
C6H11OH1-2+OH=>C6H10D13+OH+H2O                    +1.01000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: JB !\Ref: S. S. VASU ET AL. J. PHYS. CHEM. A, 2011, 115, 2549?556 !\Comment: ANALOGY TO C4H8-1+OH<=>C4H71-3+H2O. DIVIDED BY 2. ALLYLIC H-ATOM ABSTRACTION FOLLOWED 
C6H11OH2-1+OH=>C2H5+H2O+C4H5-I+OH                 +1.01000000E+006 +2.20000000E+000 -4.37000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: WADDINGTONMECHANISM(RO2ISOMERIZATIONSANDBETA-SCISSION)
!___________________________________________________________________________________________________________ 
C6H12OH-1O2-2<=>C6H12OOH2-1O                      +2.61000000E+010 +2.90000000E-001 +2.03780000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
!DONG 0718!C6H12OH-1O2-2<=>C6H12OOH2-1O                      +5.22000000E+010 +2.90000000E-001 +2.03780000E+004 !*2.0 \Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
!
!DONG 0923!C6H12OOH2-1O=>PC4H9CHO+CH2O+OH                    +1.99000000E+019 -1.50000000E+000 +1.08200000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
!DONG 0406!C6H12OOH2-1O=>PC4H9CHO+CH2O+OH                    +0.99500000E+019 -1.50000000E+000 +1.08200000E+004 !*0.5 \Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 

!DONG 0406!C6H12OOH2-1O=>PC4H9CHO+CH2O+OH                     1.059E+11     0.437     6184 !10 times slower\Author: SD !\Ref: Li, Yang, et al. The Journal of Physical Chemistry A (2020). !\Comment: WARNING 
C6H12OOH2-1O=>PC4H9CHO+CH2O+OH                     2.118E+11     0.437     6184 !10 times slower, *2.0\Author: SD !\Ref: Li, Yang, et al. The Journal of Physical Chemistry A (2020). !\Comment: WARNING 

C6H12OH-2O2-1<=>C6H12OOH1-2O                      +1.18000000E+010 +3.90000000E-001 +2.03220000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H12OOH1-2O=>PC4H9CHO+CH2O+OH                    +8.69000000E+021 -2.37000000E+000 +1.26290000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H12OOH1-2O<=>HO2CH2CHO+PC4H9                    +5.51000000E+022 -2.76000000E+000 +1.39800000E+004 !\Author: WARNING !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 
!DONG 0903!C6H12OOH1-2O<=>HO2CH2CHO+PC4H9                    +2.75500000E+023 -2.76000000E+000 +1.39800000E+004 !*5 \Author: WARNING !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 
!
C6H12OH-2O2-3<=>C6H12OOH3-2O                      +1.80000000E+011 +1.00000000E-001 +2.03300000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H12OOH3-2O=>CH3CHO+NC3H7CHO+OH                  +4.72000000E+020 -2.06000000E+000 +9.46500000E+003 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H12OH-3O2-2<=>C6H12OOH2-3O                      +1.80000000E+011 +1.00000000E-001 +2.03300000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H12OOH2-3O=>NC3H7CHO+CH3CHO+OH                  +4.72000000E+020 -2.06000000E+000 +9.46500000E+003 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H12OH-3O2-4<=>C6H12OOH3-4O                      +1.80000000E+011 +1.00000000E-001 +2.03300000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H12OOH3-4O=>C2H5CHO+C2H5CHO+OH                  +4.72000000E+020 -2.06000000E+000 +9.46500000E+003 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: CETH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C6H12-1=C3H6+C3H6                                 +4.00000000E+012 +0.00000000E+000 +5.80000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-1=NC3H7+C3H5-A                              +8.00000000E+015 +0.00000000E+000 +7.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0405!C6H12-1<=>C3H5-A+NC3H7                            +1.00000000E+016 +0.00000000E+000 +7.13333000E+004 !ANALOGY TO C5H10-1\Author: WARNING !\Ref: TSANG, WING. INTERNATIONAL JOURNAL OF CHEMICAL KINETICS 10.6(1978) !\Comment: WARNING 
!
C6H12-2=C2H5+C4H71-3                              +8.00000000E+015 +0.00000000E+000 +7.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H111-3+H=C6H12-1                                +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H91-5+CH3=C6H12-1                               +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PC4H9+C2H3=C6H12-1                                +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H71-4+C2H5=C6H12-1                              +8.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H111-3+H=C6H12-2                                +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H112-4+H=C6H12-2                                +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H92-5+CH3=C6H12-2                               +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7+C3H5-T=C6H12-2                              +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H112-4+H=C6H12-3                                +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H71-1+C2H5=C6H12-3                              +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 200818, DUPLICATED!C6H12-2+OH=>CH3+PC4H9CHO                          +5.00000000E+010 +0.00000000E+000 -2.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 200818, DUPLICATED!C6H12-2+OH=>C2H5CHO+NC3H7                         +5.00000000E+010 +0.00000000E+000 -2.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-3+OH=>PC4H9+CH3CHO                          +1.00000000E+011 +0.00000000E+000 -4.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-1+O<=>NC5H10CHO-1+H                         +1.17000000E-003 +4.94000000E+000 -2.42280000E+003 !\Author: SD !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
C6H12-1+O<=>C6Y2-1J+H                             +1.17000000E-003 +4.94000000E+000 -2.42280000E+003 !\Author: SD !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
C6H12-1+O<=>CH2CHO+PC4H9                          +9.24000000E+008 +1.20000000E+000 -2.38300000E+002 !\Author: SD !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
C6H12-1+O<=>C5H11-1+HCO                           +6.23000000E+009 +7.90000000E-001 -1.47000000E+002 !\Author: SD !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
C6H12-1+O<=>C5H10-1+CH2O                          +1.46000000E+005 +2.36500000E+000 -8.32100000E+002 !\Author: SD !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
C6H12-2+O=PC4H9+CH3CO                             +1.00000000E+011 +0.00000000E+000 -1.05000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0605
!DONG 0605!C6H12-1+CH3O2<=>C6H111-3+CH3O2H                   +3.91000000E-001 +3.97000000E+000 +1.37020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
!DONG 0605!C6H12-1+CH3O2<=>C6H111-4+CH3O2H                   +6.32000000E+001 +3.37000000E+000 +1.57200000E+004 !\Author: WARNING !\Ref: J. AGUILERA-IPARRAGUIRRE, H. J. CURRAN, W. KLOPPER, J. M. SIMMIE, J. PHYS. CHEM. A, 112, 2008, 7047-7054 !\Comment: WARNING 
!DONG 0605!C6H12-1+CH3O2<=>C6H111-5+CH3O2H                   +6.32000000E+001 +3.37000000E+000 +1.57200000E+004 !\Author: WARNING !\Ref: J. AGUILERA-IPARRAGUIRRE, H. J. CURRAN, W. KLOPPER, J. M. SIMMIE, J. PHYS. CHEM. A, 112, 2008, 7047-7054 !\Comment: WARNING 
!DONG 0605!C6H12-1+CH3O2<=>C6H111-6+CH3O2H                   +2.04000000E+001 +3.59000000E+000 +1.91600000E+004 !\Author: WARNING !\Ref: J. AGUILERA-IPARRAGUIRRE, H. J. CURRAN, W. KLOPPER, J. M. SIMMIE, J. PHYS. CHEM. A, 112, 2008, 7047-7054 !\Comment: WARNING 
C6H12-1+CH3O2<=>C6H111-3+CH3O2H                   +7.82000000E-001 +3.97000000E+000 +1.37020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C6H12-1+CH3O2<=>C6H111-4+CH3O2H                   +6.32000000E+001 +3.37000000E+000 +1.52200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C6H12-1+CH3O2<=>C6H111-5+CH3O2H                   +6.32000000E+001 +3.37000000E+000 +1.52200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C6H12-1+CH3O2<=>C6H111-6+CH3O2H                   +1.04000000E+001 +3.59000000E+000 +1.76000000E+004 !\Author: SP !\Ref: 60% OF NEW FIT !\Comment: WARNING
!

C6H12-1+H<=>C6H111-1+H2                           +7.29100000E+005 +2.47300000E+000 +1.28670000E+004 !\Author: WARNING !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C6H12-1+H<=>C6H111-2+H2                           +4.81200000E+006 +2.16500000E+000 +9.67858000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C6H12-1+H<=>C6H111-3+H2                           +4.53300000E+005 +2.48700000E+000 +2.48324000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C6H12-1+H<=>C6H111-4+H2                           +6.55700000E+005 +2.46200000E+000 +4.67850000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C6H12-1+H<=>C6H111-5+H2                           +6.55700000E+005 +2.46200000E+000 +4.67850000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C6H12-1+H<=>C6H111-6+H2                           +5.52400000E+004 +2.80900000E+000 +6.78265000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C6H12-1+O<=>C6H111-1+OH                           +1.20000000E+011 +7.00000000E-001 +8.95910000E+003 !\Author: SD !\Ref: ANALOGY WITH C2H4+O !\Comment: WARNING 
C6H12-1+O<=>C6H111-2+OH                           +6.03000000E+010 +7.00000000E-001 +7.63200000E+003 !\Author: SD !\Ref: ANALOGY WITH C2H4+O !\Comment: WARNING 
C6H12-1+O<=>C6H111-3+OH                           +6.47000000E-003 +4.54000000E+000 -4.66980000E+003 !\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C6H12-1+O<=>C6H111-4+OH                           +2.81000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: WARNING !\Ref: J. V. MICHAEL, D. G. KEIL, R. B. KLEMM, INT. J. CHEM. KINET., 15, 1983, 705-719 !\Comment: WARNING 
C6H12-1+O<=>C6H111-5+OH                           +2.81000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: WARNING !\Ref: J. V. MICHAEL, D. G. KEIL, R. B. KLEMM, INT. J. CHEM. KINET., 15, 1983, 705-719 !\Comment: WARNING 
C6H12-1+O<=>C6H111-6+OH                           +5.65000000E+013 +0.00000000E+000 +7.85000000E+003 !\Author: WARNING !\Ref: J. V. MICHAEL, D. G. KEIL, R. B. KLEMM, INT. J. CHEM. KINET., 15, 1983, 705-719 !\Comment: WARNING 
C6H12-1+CH3<=>C6H111-1+CH4                        +1.35000000E+000 +3.50000000E+000 +1.28500000E+004 !\Author: SD !\Ref: ANALOGY WITH C3H6+CH3 !\Comment: WARNING 
C6H12-1+CH3<=>C6H111-2+CH4                        +8.40000000E-001 +3.50000000E+000 +1.16600000E+004 !\Author: SD !\Ref: ANALOGY WITH C3H6+CH3 !\Comment: WARNING 
C6H12-1+CH3<=>C6H111-3+CH4                        +1.69400000E+002 +3.12000000E+000 +5.78000000E+003 !\Author: SD !\Ref: WANG, KUN, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.9(2015) !\Comment: WARNING 
C6H12-1+CH3<=>C6H111-4+CH4                        +8.40000000E+004 +2.13300000E+000 +7.57400000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE ! !\Comment: WARNING 
C6H12-1+CH3<=>C6H111-5+CH4                        +8.40000000E+004 +2.13300000E+000 +7.57400000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE ! !\Comment: WARNING 
C6H12-1+CH3<=>C6H111-6+CH4                        +4.52000000E-001 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: W. TSANG, J. PHYS. CHEM. REF. DATA, 17, 1988, 887-951 !\Comment: WARNING 
!DONG 0824!C6H12-1+CH3O<=>C6H111-3+CH3OH                     +4.00000000E+001 +2.90000000E+000 +8.60900000E+003 !\Author: WARNING !\Ref: IN ARAMCO(TSANG '91) !\Comment: WARNING 
C6H12-1+CH3O<=>C6H111-3+CH3OH                     +1.45000000E+011 +0.00000000E+000 +2.97100000E+003 !\Author: SD !\Ref: WARNING !\Comment: C5H10-1+CH3O<=>C5H91-3+CH3OH 
C6H12-1+CH3O<=>C6H111-4+CH3OH                     +1.45000000E+011 +0.00000000E+000 +4.57100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-1+CH3O<=>C6H111-5+CH3OH                     +1.45000000E+011 +0.00000000E+000 +4.57100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-1+CH3O<=>C6H111-6+CH3OH                     +2.17000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: WARNING !\Ref: IN ARAMCO(TSANG '91) 1.58E+11 0.000 7000 !\Comment: WARNING 
C6H12-1+O2<=>C6H111-1+HO2                         +2.00000000E+013 +0.00000000E+000 +6.22700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-1+O2<=>C6H111-2+HO2                         +1.00000000E+013 +0.00000000E+000 +5.87700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

C6H12-1+O2<=>C6H111-3+HO2                         +6.06000000E+001 +3.45000000E+000 +3.46000000E+004 !\Author: WARNING !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
!DONG 0718!C6H12-1+O2<=>C6H111-3+HO2                         +12.12000000E+001 +3.45000000E+000 +3.46000000E+004 !*2.0 \Author: WARNING !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 

C6H12-1+O2<=>C6H111-4+HO2                         +1.40000000E+013 +0.00000000E+000 +5.01600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-1+O2<=>C6H111-5+HO2                         +1.40000000E+013 +0.00000000E+000 +5.01600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-1+O2<=>C6H111-6+HO2                         +2.10000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-1+OH<=>C6H111-1+H2O                         +6.93000000E+006 +1.92000000E+000 +4.96200000E+003 !\Author: WARNING !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: WARNING 
C6H12-1+OH<=>C6H111-2+H2O                         +3.00000000E+006 +1.97000000E+000 +2.84800000E+003 !\Author: WARNING !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: WARNING 
!dong 0903!C6H12-1+OH<=>C6H111-3+H2O                         +2.02000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: WARNING !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: WARNING 
C6H12-1+OH<=>C6H111-3+H2O                         +1.21200000E+006 +2.20000000E+000 -4.37200000E+002 !A*0.6 \Author: WARNING !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: WARNING 

!DONG 0406!C6H12-1+OH=C6H111-3+H2O                            2.76E+04    2.600   -1919 !\AUTHOR: !\REF:

C6H12-1+OH<=>C6H111-4+H2O                         +7.05000000E+009 +9.35000000E-001 +5.04700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-1+OH<=>C6H111-5+H2O                         +7.05000000E+009 +9.35000000E-001 +5.04700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-1+OH<=>C6H111-6+H2O                         +1.36600000E+007 +1.81300000E+000 +8.68400000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-1+HO2<=>C6H111-1+H2O2                       +9.57000000E+002 +3.05900000E+000 +2.07986000E+004 !\Author: SD !\Ref: ANALOGY WITH C3H6+HO2 !\Comment: WARNING 
C6H12-1+HO2<=>C6H111-2+H2O2                       +1.56000000E+004 +2.82000000E+000 +2.44279000E+004 !\Author: SD !\Ref: ANALOGY WITH C3H6+HO2 !\Comment: WARNING 
!
!DONG 0605!C6H12-1+HO2<=>C6H111-3+H2O2                       +3.91000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: SD !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C6H12-1+HO2<=>C6H111-3+H2O2                       +7.82000000E-001 +3.97000000E+000 +1.17020000E+004 !*2.0 \Author: SD !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
!
C6H12-1+HO2<=>C6H111-4+H2O2                       +7.87600000E+001 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: J. AGUILERA-IPARRAGUIRRE, H. J. CURRAN, W. KLOPPER, J. M. SIMMIE, J. PHYS. CHEM. A, 112, 2008, 7047-7054 !\Comment: WARNING 
C6H12-1+HO2<=>C6H111-5+H2O2                       +7.87600000E+001 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: J. AGUILERA-IPARRAGUIRRE, H. J. CURRAN, W. KLOPPER, J. M. SIMMIE, J. PHYS. CHEM. A, 112, 2008, 7047-7054 !\Comment: WARNING 
C6H12-1+HO2<=>C6H111-6+H2O2                       +1.04000000E+001 +3.59000000E+000 +1.56000000E+004 !\Author: SD !\Ref: 60% OF NEW RATE !\Comment: WARNING 
C6H12-2+H=C6H111-3+H2                             +1.73000000E+005 +2.50000000E+000 +2.49200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+O=C6H111-3+OH                             +4.41000000E+005 +2.42000000E+000 +3.15000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+OH=C6H111-3+H2O                           +3.12000000E+006 +2.00000000E+000 -2.98000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+O2=C6H111-3+HO2                           +3.30000000E+012 +0.00000000E+000 +3.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+HO2=C6H111-3+H2O2                         +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+CH3=C6H111-3+CH4                          +2.21000000E+000 +3.50000000E+000 +5.67500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+CH3O=C6H111-3+CH3OH                       +9.00000000E+001 +2.95000000E+000 +1.19900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+CH3O2=C6H111-3+CH3O2H                     +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+H=C6H112-4+H2                             +3.38000000E+005 +2.36000000E+000 +2.07000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+O=C6H112-4+OH                             +6.60000000E+005 +2.43000000E+000 +1.21000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+OH=C6H112-4+H2O                           +2.76000000E+004 +2.64000000E+000 -1.91900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+O2=C6H112-4+HO2                           +2.20000000E+012 +0.00000000E+000 +3.72200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+HO2=C6H112-4+H2O2                         +4.82000000E+003 +2.55000000E+000 +1.05300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+CH3=C6H112-4+CH4                          +3.69000000E+000 +3.31000000E+000 +4.00200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+CH3O=C6H112-4+CH3OH                       +4.00000000E+001 +2.90000000E+000 +8.60900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+CH3O2=C6H112-4+CH3O2H                     +4.82000000E+003 +2.55000000E+000 +1.05300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+H=C6H112-5+H2                             +1.30000000E+006 +2.40000000E+000 +4.47100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+O=C6H112-5+OH                             +2.81000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+OH=C6H112-5+H2O                           +7.05000000E+009 +9.35000000E-001 +5.05000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+O2=C6H112-5+HO2                           +1.40000000E+013 +0.00000000E+000 +5.01600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+HO2=C6H112-5+H2O2                         +9.48000000E+001 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+CH3=C6H112-5+CH4                          +1.51000000E+000 +3.46000000E+000 +5.48100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+CH3O=C6H112-5+CH3OH                       +1.45000000E+011 +0.00000000E+000 +4.57100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+CH3O2=C6H112-5+CH3O2H                     +1.02000000E+001 +3.58000000E+000 +1.48100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+H=C6H112-6+H2                             +1.74500000E+005 +2.69000000E+000 +6.45000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+O=C6H112-6+OH                             +5.65000000E+013 +0.00000000E+000 +7.85000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+OH=C6H112-6+H2O                           +1.36500000E+007 +1.81300000E+000 +8.68000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+O2=C6H112-6+HO2                           +2.10000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+HO2=C6H112-6+H2O2                         +2.04000000E+001 +3.59000000E+000 +1.71600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+CH3=C6H112-6+CH4                          +4.52000000E-001 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+CH3O=C6H112-6+CH3OH                       +2.17000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+CH3O2=C6H112-6+CH3O2H                     +6.95000000E-001 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-3+H=C6H113-1+H2                             +3.49000000E+005 +2.69000000E+000 +6.45000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-3+O=C6H113-1+OH                             +1.13000000E+014 +0.00000000E+000 +7.85000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-3+OH=C6H113-1+H2O                           +2.73000000E+007 +1.81300000E+000 +8.68000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-3+O2=C6H113-1+HO2                           +4.20000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-3+HO2=C6H113-1+H2O2                         +4.08000000E+001 +3.59000000E+000 +1.71600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-3+CH3=C6H113-1+CH4                          +9.04000000E-001 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-3+CH3O=C6H113-1+CH3OH                       +4.34000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-3+CH3O2=C6H113-1+CH3O2H                     +1.39000000E+000 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-3+H=C6H112-4+H2                             +6.76000000E+005 +2.36000000E+000 +2.07000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-3+O=C6H112-4+OH                             +1.32000000E+006 +2.43000000E+000 +1.21000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-3+OH=C6H112-4+H2O                           +5.52000000E+004 +2.64000000E+000 -1.91900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-3+O2=C6H112-4+HO2                           +4.40000000E+012 +0.00000000E+000 +3.72200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-3+HO2=C6H112-4+H2O2                         +9.64000000E+003 +2.55000000E+000 +1.05300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-3+CH3=C6H112-4+CH4                          +7.38000000E+000 +3.31000000E+000 +4.00200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-3+CH3O=C6H112-4+CH3OH                       +8.00000000E+001 +2.90000000E+000 +8.60900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-3+CH3O2=C6H112-4+CH3O2H                     +9.64000000E+003 +2.55000000E+000 +1.05300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+O2CHO=C6H111-3+HO2CHO                     +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+O2CHO=C6H112-4+HO2CHO                     +4.82000000E+003 +2.55000000E+000 +1.05300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+O2CHO=C6H112-5+HO2CHO                     +1.02000000E+001 +3.58000000E+000 +1.48100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+O2CHO=C6H112-6+HO2CHO                     +6.95000000E-001 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-3+O2CHO=C6H112-4+HO2CHO                     +9.64000000E+003 +2.55000000E+000 +1.05300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-3+O2CHO=C6H113-1+HO2CHO                     +1.39000000E+000 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H111-1<=>C6H111-4                               +1.18721298E+005 +1.98939434E+000 +1.15748448E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H111-1<=>C6H111-5                               +6.27006212E+003 +2.08806416E+000 +6.13417393E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H111-2<=>C6H111-5                               +1.18721298E+004 +1.98939434E+000 +1.15748448E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H111-2<=>C6H111-6                               +6.27006212E+002 +2.08806416E+000 +6.43417393E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H111-3<=>C6H112-4                               +2.69646991E+005 +2.01872991E+000 +3.16479826E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0605!C6H111-3<=>C6H112-5                               +9.22151970E+004 +1.96994347E+000 +2.43168323E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

C6H111-3<=>C6H112-5                               +9.22151970E+004 +1.96994347E+000 +2.13168323E+004 !EA-3KCAL \Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!
C6H112-6<=>C6H111-3                               +2.67000000E+003 +1.94000000E+000 +1.33000000E+004 !\Author: SD !\Ref: WANG, KUN, ET AL., CHEMPHYSCHEM 16.12(2015) !\Comment: WARNING 
C6H111-6<=>C6H111-3                               +4.22000000E+004 +1.93000000E+000 +1.35000000E+004 !\Author: SD !\Ref: WANG, KUN, ET AL., CHEMPHYSCHEM 16.12(2015) !\Comment: WARNING 

!DONG 0923!CYC6H11<=>C6H111-6                                 2.75E+12  0.624  30810.0  !Sirjean, Baptiste, et al. The Journal of Physical Chemistry A 112.46 (2008): 11598-11610.
!

C6H12-1+H<=>C6H13-1                               +1.65369349E+012 +4.39513414E-001 +3.80500164E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.34671024E+064 -1.70321080E+001 +1.68066357E+004 /
PLOG /                           +1.00000000E-001 +1.64623303E+062 -1.56843987E+001 +1.88610262E+004 /
PLOG /                           +1.00000000E+000 +3.26211922E+050 -1.16480003E+001 +1.68627280E+004 /
PLOG /                           +1.00000000E+001 +2.05172698E+036 -7.04204852E+000 +1.28322807E+004 /
PLOG /                           +1.00000000E+002 +4.16248746E+023 -3.05218871E+000 +8.42417011E+003 /
PLOG /                           +1.00000000E+003 +1.65369349E+012 +4.39513414E-001 +3.80500164E+003 /
C6H12-1+H<=>C6H13-2                               +2.77224587E+012 +4.35370677E-001 +2.47472339E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.44083294E+059 -1.54203092E+001 +1.40613184E+004 /
PLOG /                           +1.00000000E-001 +7.00959933E+059 -1.48866369E+001 +1.66221539E+004 /
PLOG /                           +1.00000000E+000 +4.24725633E+049 -1.13131247E+001 +1.51013620E+004 /
PLOG /                           +1.00000000E+001 +1.62312980E+036 -6.94281779E+000 +1.13988806E+004 /
PLOG /                           +1.00000000E+002 +2.41527837E+023 -2.91396731E+000 +6.91699926E+003 /
PLOG /                           +1.00000000E+003 +2.77224587E+012 +4.35370677E-001 +2.47472339E+003 /
C6H12-1+H<=>C6H13-3                               +7.03032357E-010 +6.83788245E+000 +9.73985760E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.44215498E+064 -1.73914548E+001 +2.07326598E+004 /
PLOG /                           +1.00000000E-001 +7.41023158E+066 -1.74785256E+001 +2.60752060E+004 /
PLOG /                           +1.00000000E+000 +1.98534268E+060 -1.47892678E+001 +2.86435382E+004 /
PLOG /                           +1.00000000E+001 +2.40549185E+038 -7.63279458E+000 +2.46273202E+004 /
PLOG /                           +1.00000000E+002 +1.17209225E+020 -1.88902157E+000 +2.05920130E+004 /
PLOG /                           +1.00000000E+003 +7.03032357E-010 +6.83788245E+000 +9.73985760E+003 /
C6H12-1+H<=>C6H12-2+H                             +1.21970567E-014 +8.42230129E+000 +6.17748467E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.13970471E+006 +2.19098257E+000 +4.47777098E+003 /
PLOG /                           +1.00000000E-001 +5.35017843E+011 +5.65128682E-001 +8.08622420E+003 /
PLOG /                           +1.00000000E+000 +2.01661348E+019 -1.55491233E+000 +1.38675893E+004 /
PLOG /                           +1.00000000E+001 +5.76162919E+017 -9.35851505E-001 +1.63693033E+004 /
PLOG /                           +1.00000000E+002 +6.37751035E+002 +3.56897570E+000 +1.22710156E+004 /
PLOG /                           +1.00000000E+003 +1.21970567E-014 +8.42230129E+000 +6.17748467E+003 /
C6H12-1+H<=>C5H10-1+CH3                           +4.91721421E-025 +1.17048906E+001 +1.30306326E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.63447126E+005 +2.21182528E+000 +6.22742346E+003 /
PLOG /                           +1.00000000E-001 +6.42746509E+014 -4.39296151E-001 +1.21062553E+004 /
PLOG /                           +1.00000000E+000 +3.52279851E+027 -4.01132717E+000 +2.16913947E+004 /
PLOG /                           +1.00000000E+001 +7.41251505E+029 -4.41400333E+000 +2.84552967E+004 /
PLOG /                           +1.00000000E+002 +7.15661493E+008 +2.00384984E+000 +2.45778665E+004 /
PLOG /                           +1.00000000E+003 +4.91721421E-025 +1.17048906E+001 +1.30306326E+004 /
C6H12-1+H<=>C3H6+NC3H7                            +2.59477891E-010 +7.29466166E+000 +4.17482540E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.92200974E+013 +1.67953404E-002 +3.60611594E+003 /
PLOG /                           +1.00000000E-001 +1.12713708E+021 -2.01046789E+000 +8.27194561E+003 /
PLOG /                           +1.00000000E+000 +2.85325078E+027 -3.76341990E+000 +1.38784988E+004 /
PLOG /                           +1.00000000E+001 +1.28858452E+022 -2.01991407E+000 +1.46947773E+004 /
PLOG /                           +1.00000000E+002 +2.21558076E+006 +2.69505506E+000 +1.00367362E+004 /
PLOG /                           +1.00000000E+003 +2.59477891E-010 +7.29466166E+000 +4.17482540E+003 /

!DONG 0903!C6H12-1+H<=>C3H6+NC3H7                            +5.18955782E-010 +7.29466166E+000 +4.17482540E+003 !*2.0 \Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0903!PLOG /                           +1.00000000E-002 +1.78440195E+014 +1.67953404E-002 +3.60611594E+003 /
!DONG 0903!PLOG /                           +1.00000000E-001 +2.25427416E+021 -2.01046789E+000 +8.27194561E+003 /
!DONG 0903!PLOG /                           +1.00000000E+000 +5.70650156E+027 -3.76341990E+000 +1.38784988E+004 /
!DONG 0903!PLOG /                           +1.00000000E+001 +2.57716904E+022 -2.01991407E+000 +1.46947773E+004 /
!DONG 0903!PLOG /                           +1.00000000E+002 +4.43116152E+006 +2.69505506E+000 +1.00367362E+004 /
!DONG 0903!PLOG /                           +1.00000000E+003 +5.18955782E-010 +7.29466166E+000 +4.17482540E+003 /

!DONG 0903!C6H12-1+H<=>C3H6+NC3H7                            +1.29738946E-009 +7.29466166E+000 +4.17482540E+003 !*5.0 \Author: SD !\Ref: WARNING !\Comment: WARNING 
!DONG 0903!PLOG /                           +1.00000000E-002 +4.46100487E+014 +1.67953404E-002 +3.60611594E+003 /
!DONG 0903!PLOG /                           +1.00000000E-001 +5.63568540E+021 -2.01046789E+000 +8.27194561E+003 /
!DONG 0903!PLOG /                           +1.00000000E+000 +1.42662539E+028 -3.76341990E+000 +1.38784988E+004 /
!DONG 0903!PLOG /                           +1.00000000E+001 +6.44292260E+022 -2.01991407E+000 +1.46947773E+004 /
!DONG 0903!PLOG /                           +1.00000000E+002 +1.10779038E+007 +2.69505506E+000 +1.00367362E+004 /
!DONG 0903!PLOG /                           +1.00000000E+003 +1.29738946E-009 +7.29466166E+000 +4.17482540E+003 /

!DONG 0909!C6H12-1+H<=>C3H6+NC3H7                            +2.59477891E-009 +7.29466166E+000 +4.17482540E+003 !*10.0 \Author: SD !\Ref: WARNING !\Comment: WARNING 
!DONG 0909!PLOG /                           +1.00000000E-002 +8.92200974E+014 +1.67953404E-002 +3.60611594E+003 /
!DONG 0909!PLOG /                           +1.00000000E-001 +1.12713708E+022 -2.01046789E+000 +8.27194561E+003 /
!DONG 0909!PLOG /                           +1.00000000E+000 +2.85325078E+028 -3.76341990E+000 +1.38784988E+004 /
!DONG 0909!PLOG /                           +1.00000000E+001 +1.28858452E+023 -2.01991407E+000 +1.46947773E+004 /
!DONG 0909!PLOG /                           +1.00000000E+002 +2.21558076E+007 +2.69505506E+000 +1.00367362E+004 /
!DONG 0909!PLOG /                           +1.00000000E+003 +2.59477891E-009 +7.29466166E+000 +4.17482540E+003 /

C6H12-1+H<=>C2H4+PC4H9                            +1.65688656E-009 +7.06138570E+000 +6.67510846E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.88242330E+013 +1.92609460E-001 +5.24809183E+003 /
PLOG /                           +1.00000000E-001 +2.58162748E+020 -1.84767807E+000 +9.88798412E+003 /
PLOG /                           +1.00000000E+000 +2.89559588E+027 -3.79195530E+000 +1.57892125E+004 /
PLOG /                           +1.00000000E+001 +1.85146326E+023 -2.38658049E+000 +1.71603739E+004 /
PLOG /                           +1.00000000E+002 +7.50115073E+007 +2.23188539E+000 +1.27726443E+004 /
PLOG /                           +1.00000000E+003 +1.65688656E-009 +7.06138570E+000 +6.67510846E+003 /
C6H12-1+H<=>C4H8-1+C2H5                           +2.45860711E-025 +1.17048906E+001 +1.30306326E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.81723563E+005 +2.21182528E+000 +6.22742346E+003 /
PLOG /                           +1.00000000E-001 +3.21373255E+014 -4.39296151E-001 +1.21062553E+004 /
PLOG /                           +1.00000000E+000 +1.76139926E+027 -4.01132717E+000 +2.16913947E+004 /
PLOG /                           +1.00000000E+001 +3.70625753E+029 -4.41400333E+000 +2.84552967E+004 /
PLOG /                           +1.00000000E+002 +3.57830747E+008 +2.00384984E+000 +2.45778665E+004 /
PLOG /                           +1.00000000E+003 +2.45860711E-025 +1.17048906E+001 +1.30306326E+004 /
C6H12-2+H=C6H13-2                                 +3.89000000E+008 +1.60000000E+000 +5.80000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-2+H=C6H13-3                                 +3.89000000E+008 +1.60000000E+000 +5.80000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12-3+H=C6H13-3                                 +7.78000000E+008 +1.60000000E+000 +5.80000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H111-3+CH3(+M)<=>C7H14-3(+M)                    +5.00000000E+013 -3.20000000E-001 -2.62300000E+002 !\Author: WARNING !\Ref: TSANG '91 !\Comment: WARNING 
LOW /                                             +1.95500000E+060 -1.28100000E+001 +6.25000000E+003 /
TROE /                           +1.04000000E-001 +1.60600000E+003 +6.00000000E+004 +6.11840000E+003 /
AR / +0.7000 / CO / +1.5000 / H2 / +2.0000 / CH4 / +2.0000 / CO2 / +2.0000 / C2H6 / +3.0000 / H2O / +6.0000 / 
C6H111-3+CH3(+M)<=>I3C7D1(+M)                     +1.00000000E+014 -3.20000000E-001 -2.62300000E+002 !\Author: WARNING !\Ref: TSANG '91 !\Comment: WARNING 
LOW /                                             +3.91000000E+060 -1.28100000E+001 +6.25000000E+003 /
TROE /                           +1.04000000E-001 +1.60600000E+003 +6.00000000E+004 +6.11840000E+003 /
AR / +0.7000 / CO / +1.5000 / CO2 / +2.0000 / H2 / +2.0000 / CH4 / +2.0000 / C2H6 / +3.0000 / H2O / +6.0000 / 
I3C7D1+OH<=>I3C7D1-3+H2O                          +6.14000000E+002 +3.20000000E+000 -3.50000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C7D1+H<=>I3C7D1-3+H2                            +2.65000000E+006 +2.20000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C7D1+O<=>I3C7D1-3+OH                            +3.30000000E+005 +2.43000000E+000 -7.90000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C7D1+O2<=>I3C7D1-3+HO2                          +1.10000000E+012 +0.00000000E+000 +3.52200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C7D1+HO2<=>I3C7D1-3+H2O2                        +1.81000000E+003 +2.50000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C7D1+CH3<=>I3C7D1-3+CH4                         +4.61000000E+000 +3.10000000E+000 +2.33000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C7D1-3+HO2<=>I3C7D1-3O+OH                       +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
I3C7D1-3O<=>C2H3COCH3+NC3H7                       +1.59000000E+022 -2.55000000E+000 +1.28400000E+004 !\Author: WARNING !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONOH
!___________________________________________________________________________________________________________ 
!DONG 0906!C6H12-1+OH<=>C6H12OH-1J2                          +5.58000000E+018 -2.03000000E+000 -4.00000000E-001 !\Author: WARNING !\Ref: ANTONOV, IVAN O., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A119.28(2015) !\Comment: WARNING 
!DONG 0906!PLOG /                           +9.87000000E-004 +1.65000000E+039 -9.21000000E+000 +3.56500000E+003 /
!DONG 0906!PLOG /                           +9.87000000E-004 +5.58000000E-040 +1.56000000E+001 -1.04000000E+004 /
!DONG 0906!PLOG /                           +9.87000000E-003 +2.55000000E+063 -1.66700000E+001 +1.26000000E+004 /
!DONG 0906!PLOG /                           +9.87000000E-003 +2.57000000E+026 -4.90000000E+000 +8.77900000E+002 /
!DONG 0906!PLOG /                           +9.87000000E-002 +2.90000000E+072 -1.90200000E+001 +1.89400000E+004 /
!DONG 0906!PLOG /                           +9.87000000E-002 +2.33000000E+023 -3.72000000E+000 +5.66500000E+002 /
!DONG 0906!PLOG /                           +9.87000000E-001 +2.30000000E+026 -4.36000000E+000 +3.21500000E+003 /
!DONG 0906!PLOG /                           +9.87000000E-001 +4.47000000E+026 -5.01000000E+000 +8.81100000E+002 /
!DONG 0906!PLOG /                           +9.87000000E+000 +1.24000000E+025 -4.41000000E+000 +7.22000000E+002 /
!DONG 0906!PLOG /                           +9.87000000E+000 +6.87000000E+020 -2.50000000E+000 +2.16000000E+003 /
!DONG 0906!PLOG /                           +9.87000000E+001 +5.58000000E+018 -2.03000000E+000 -4.00000000E-001 /
!DONG 0906!PLOG /                           +9.87000000E+001 +1.48000000E+021 -2.39000000E+000 +5.54300000E+003 /
!DONG 0906!C6H12-1+OH<=>C6H12OH-2J1                          +1.86000000E+018 -2.03000000E+000 -4.00000000E-001 !\Author: WARNING !\Ref: ANTONOV, IVAN O., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A119.28(2015) !\Comment: WARNING 
!DONG 0906!PLOG /                           +9.87000000E-004 +5.50000000E+038 -9.21000000E+000 +3.56500000E+003 /
!DONG 0906!PLOG /                           +9.87000000E-004 +1.86000000E-040 +1.56000000E+001 -1.04000000E+004 /
!DONG 0906!PLOG /                           +9.87000000E-003 +8.50000000E+062 -1.66700000E+001 +1.26000000E+004 /
!DONG 0906!PLOG /                           +9.87000000E-003 +8.55000000E+025 -4.90000000E+000 +8.77900000E+002 /
!DONG 0906!PLOG /                           +9.87000000E-002 +9.65000000E+071 -1.90200000E+001 +1.89400000E+004 /
!DONG 0906!PLOG /                           +9.87000000E-002 +7.75000000E+022 -3.72000000E+000 +5.66500000E+002 /
!DONG 0906!PLOG /                           +9.87000000E-001 +7.65000000E+025 -4.36000000E+000 +3.21500000E+003 /
!DONG 0906!PLOG /                           +9.87000000E-001 +1.49000000E+026 -5.01000000E+000 +8.81100000E+002 /
!DONG 0906!PLOG /                           +9.87000000E+000 +4.12000000E+024 -4.41000000E+000 +7.22000000E+002 /
!DONG 0906!PLOG /                           +9.87000000E+000 +2.29000000E+020 -2.50000000E+000 +2.16000000E+003 /
!DONG 0906!PLOG /                           +9.87000000E+001 +1.86000000E+018 -2.03000000E+000 -4.00000000E-001 /
!DONG 0906!PLOG /                           +9.87000000E+001 +4.92000000E+020 -2.39000000E+000 +5.54300000E+003 /

C6H12-1+OH<=>C6H12OH-1J2                          +2.872E+48	-10.23	23772 !\Author: SD !\Ref: ZADOR PHYS. CHEM. CHEM. PHYS., 2009, 11, 11040-1053 !\Comment: WARNING 
PLOG/	0.0013	4.607E+78	-20.7	32402	/
PLOG/	0.01	5.474E+77	-20.0	33874	/
PLOG/	0.013	2.123E+76	-19.58	32874	/
PLOG/	0.025	7.353E+73	-18.79	31361	/
PLOG/	0.10	2.069E+68	-17.01	27909	/
PLOG/	0.1315	1.445E+67	-16.64	27162	/
PLOG/	1.00	3.893E+59	-14.17	23079	/
PLOG/	10.0	1.509E+54	-12.23	22976	/
PLOG/	100.0	2.872E+48	-10.23	23772	/
DUP					
C6H12-1+OH<=>C6H12OH-1J2                          +4.589E+32	-6.31	6088 !\Author: SD !\Ref: ZADOR PHYS. CHEM. CHEM. PHYS., 2009, 11, 11040-1053 !\Comment: WARNING 
PLOG/	0.0013	1.283E+60	-15.84	11594	/
PLOG/	0.01	1.454E+60	-15.51	12898	/
PLOG/	0.013	5.573E+59	-15.34	12913	/
PLOG/	0.025	5.302E+58	-14.93	12936	/
PLOG/	0.10	2.701E+56	-14.04	12945	/
PLOG/	0.1315	7.967E+55	-13.85	12887	/
PLOG/	1.00	3.098E+50	-12.04	11493	/
PLOG/	10.0	1.283E+42	-9.35	8921	/
PLOG/	100.0	4.589E+32	-6.31	6088	/
DUP					

!DONG 0824!!C6H12-1+OH<=>C6H12OH-1J2                          +9.575E+47	-10.23	23772 !\Author: SD !\Ref: ZADOR PHYS. CHEM. CHEM. PHYS., 2009, 11, 11040-1053 !\Comment: WARNING 
!DONG 0824!!PLOG/	0.0013	1.536E+78	-20.7	32402	/
!DONG 0824!!PLOG/	0.01	1.825E+77	-20.0	33874	/
!DONG 0824!!PLOG/	0.013	7.076E+75	-19.58	32874	/
!DONG 0824!!PLOG/	0.025	2.451E+73	-18.79	31361	/
!DONG 0824!!PLOG/	0.10	6.895E+67	-17.01	27909	/
!DONG 0824!!PLOG/	0.1315	4.818E+66	-16.64	27162	/
!DONG 0824!!PLOG/	1.00	1.298E+59	-14.17	23079	/
!DONG 0824!!PLOG/	10.0	5.028E+53	-12.23	22976	/
!DONG 0824!!PLOG/	100.0	9.575E+47	-10.23	23772	/
!DONG 0824!!DUP					
!DONG 0824!!C6H12-1+OH<=>C6H12OH-1J2                          +1.530E+32	-6.31	6088 !\Author: SD !\Ref: ZADOR PHYS. CHEM. CHEM. PHYS., 2009, 11, 11040-1053 !\Comment: WARNING 
!DONG 0824!!PLOG/	0.0013	4.276E+59	-15.84	11594	/
!DONG 0824!!PLOG/	0.01	4.848E+59	-15.51	12898	/
!DONG 0824!!PLOG/	0.013	1.858E+59	-15.34	12913	/
!DONG 0824!!PLOG/	0.025	1.767E+58	-14.93	12936	/
!DONG 0824!!PLOG/	0.10	9.003E+55	-14.04	12945	/
!DONG 0824!!PLOG/	0.1315	2.656E+55	-13.85	12887	/
!DONG 0824!!PLOG/	1.00	1.033E+50	-12.04	11493	/
!DONG 0824!!PLOG/	10.0	4.276E+41	-9.35	8921	/
!DONG 0824!!PLOG/	100.0	1.530E+32	-6.31	6088	/
!DONG 0824!!DUP					
!
C6H12-1+OH<=>C6H12OH-2J1                          +9.575E+47	-10.23	23772 !\Author: SD !\Ref: ZADOR PHYS. CHEM. CHEM. PHYS., 2009, 11, 11040-1053 !\Comment: WARNING 
PLOG/	0.0013	1.536E+78	-20.7	32402	/
PLOG/	0.01	1.825E+77	-20.0	33874	/
PLOG/	0.013	7.076E+75	-19.58	32874	/
PLOG/	0.025	2.451E+73	-18.79	31361	/
PLOG/	0.10	6.895E+67	-17.01	27909	/
PLOG/	0.1315	4.818E+66	-16.64	27162	/
PLOG/	1.00	1.298E+59	-14.17	23079	/
PLOG/	10.0	5.028E+53	-12.23	22976	/
PLOG/	100.0	9.575E+47	-10.23	23772	/
DUP					
C6H12-1+OH<=>C6H12OH-2J1                          +1.530E+32	-6.31	6088 !\Author: SD !\Ref: ZADOR PHYS. CHEM. CHEM. PHYS., 2009, 11, 11040-1053 !\Comment: WARNING 
PLOG/	0.0013	4.276E+59	-15.84	11594	/
PLOG/	0.01	4.848E+59	-15.51	12898	/
PLOG/	0.013	1.858E+59	-15.34	12913	/
PLOG/	0.025	1.767E+58	-14.93	12936	/
PLOG/	0.10	9.003E+55	-14.04	12945	/
PLOG/	0.1315	2.656E+55	-13.85	12887	/
PLOG/	1.00	1.033E+50	-12.04	11493	/
PLOG/	10.0	4.276E+41	-9.35	8921	/
PLOG/	100.0	1.530E+32	-6.31	6088	/
DUP


C6H12-2+OH<=>C6H12OH-2J3                          +1.86000000E+018 -2.03000000E+000 -4.00000000E-001 !\Author: SD !\Ref: ANTONOV, IVAN O., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A119.28(2015) !\Comment: WARNING 
PLOG /                           +9.87000000E-004 +5.50000000E+038 -9.21000000E+000 +3.56500000E+003 /
PLOG /                           +9.87000000E-004 +1.86000000E-040 +1.56000000E+001 -1.04000000E+004 /
PLOG /                           +9.87000000E-003 +8.50000000E+062 -1.66700000E+001 +1.26000000E+004 /
PLOG /                           +9.87000000E-003 +8.55000000E+025 -4.90000000E+000 +8.77900000E+002 /
PLOG /                           +9.87000000E-002 +9.65000000E+071 -1.90200000E+001 +1.89400000E+004 /
PLOG /                           +9.87000000E-002 +7.75000000E+022 -3.72000000E+000 +5.66500000E+002 /
PLOG /                           +9.87000000E-001 +7.65000000E+025 -4.36000000E+000 +3.21500000E+003 /
PLOG /                           +9.87000000E-001 +1.49000000E+026 -5.01000000E+000 +8.81100000E+002 /
PLOG /                           +9.87000000E+000 +4.12000000E+024 -4.41000000E+000 +7.22000000E+002 /
PLOG /                           +9.87000000E+000 +2.29000000E+020 -2.50000000E+000 +2.16000000E+003 /
PLOG /                           +9.87000000E+001 +1.86000000E+018 -2.03000000E+000 -4.00000000E-001 /
PLOG /                           +9.87000000E+001 +4.92000000E+020 -2.39000000E+000 +5.54300000E+003 /
C6H12-2+OH<=>C6H12OH-3J2                          +1.86000000E+018 -2.03000000E+000 -4.00000000E-001 !\Author: SD !\Ref: ANTONOV, IVAN O., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A119.28(2015) !\Comment: WARNING 
PLOG /                           +9.87000000E-004 +5.50000000E+038 -9.21000000E+000 +3.56500000E+003 /
PLOG /                           +9.87000000E-004 +1.86000000E-040 +1.56000000E+001 -1.04000000E+004 /
PLOG /                           +9.87000000E-003 +8.50000000E+062 -1.66700000E+001 +1.26000000E+004 /
PLOG /                           +9.87000000E-003 +8.55000000E+025 -4.90000000E+000 +8.77900000E+002 /
PLOG /                           +9.87000000E-002 +9.65000000E+071 -1.90200000E+001 +1.89400000E+004 /
PLOG /                           +9.87000000E-002 +7.75000000E+022 -3.72000000E+000 +5.66500000E+002 /
PLOG /                           +9.87000000E-001 +7.65000000E+025 -4.36000000E+000 +3.21500000E+003 /
PLOG /                           +9.87000000E-001 +1.49000000E+026 -5.01000000E+000 +8.81100000E+002 /
PLOG /                           +9.87000000E+000 +4.12000000E+024 -4.41000000E+000 +7.22000000E+002 /
PLOG /                           +9.87000000E+000 +2.29000000E+020 -2.50000000E+000 +2.16000000E+003 /
PLOG /                           +9.87000000E+001 +1.86000000E+018 -2.03000000E+000 -4.00000000E-001 /
PLOG /                           +9.87000000E+001 +4.92000000E+020 -2.39000000E+000 +5.54300000E+003 /
C6H12-3+OH<=>C6H12OH-3J2                          +1.86000000E+018 -2.03000000E+000 -4.00000000E-001 !\Author: SD !\Ref: ANTONOV, IVAN O., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A119.28(2015) !\Comment: WARNING 
PLOG /                           +9.87000000E-004 +5.50000000E+038 -9.21000000E+000 +3.56500000E+003 /
PLOG /                           +9.87000000E-004 +1.86000000E-040 +1.56000000E+001 -1.04000000E+004 /
PLOG /                           +9.87000000E-003 +8.50000000E+062 -1.66700000E+001 +1.26000000E+004 /
PLOG /                           +9.87000000E-003 +8.55000000E+025 -4.90000000E+000 +8.77900000E+002 /
PLOG /                           +9.87000000E-002 +9.65000000E+071 -1.90200000E+001 +1.89400000E+004 /
PLOG /                           +9.87000000E-002 +7.75000000E+022 -3.72000000E+000 +5.66500000E+002 /
PLOG /                           +9.87000000E-001 +7.65000000E+025 -4.36000000E+000 +3.21500000E+003 /
PLOG /                           +9.87000000E-001 +1.49000000E+026 -5.01000000E+000 +8.81100000E+002 /
PLOG /                           +9.87000000E+000 +4.12000000E+024 -4.41000000E+000 +7.22000000E+002 /
PLOG /                           +9.87000000E+000 +2.29000000E+020 -2.50000000E+000 +2.16000000E+003 /
PLOG /                           +9.87000000E+001 +1.86000000E+018 -2.03000000E+000 -4.00000000E-001 /
PLOG /                           +9.87000000E+001 +4.92000000E+020 -2.39000000E+000 +5.54300000E+003 /
C6H12-3+OH<=>C6H12OH-3J4                          +1.86000000E+018 -2.03000000E+000 -4.00000000E-001 !\Author: SD !\Ref: ANTONOV, IVAN O., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A119.28(2015) !\Comment: WARNING 
PLOG /                           +9.87000000E-004 +5.50000000E+038 -9.21000000E+000 +3.56500000E+003 /
PLOG /                           +9.87000000E-004 +1.86000000E-040 +1.56000000E+001 -1.04000000E+004 /
PLOG /                           +9.87000000E-003 +8.50000000E+062 -1.66700000E+001 +1.26000000E+004 /
PLOG /                           +9.87000000E-003 +8.55000000E+025 -4.90000000E+000 +8.77900000E+002 /
PLOG /                           +9.87000000E-002 +9.65000000E+071 -1.90200000E+001 +1.89400000E+004 /
PLOG /                           +9.87000000E-002 +7.75000000E+022 -3.72000000E+000 +5.66500000E+002 /
PLOG /                           +9.87000000E-001 +7.65000000E+025 -4.36000000E+000 +3.21500000E+003 /
PLOG /                           +9.87000000E-001 +1.49000000E+026 -5.01000000E+000 +8.81100000E+002 /
PLOG /                           +9.87000000E+000 +4.12000000E+024 -4.41000000E+000 +7.22000000E+002 /
PLOG /                           +9.87000000E+000 +2.29000000E+020 -2.50000000E+000 +2.16000000E+003 /
PLOG /                           +9.87000000E+001 +1.86000000E+018 -2.03000000E+000 -4.00000000E-001 /
PLOG /                           +9.87000000E+001 +4.92000000E+020 -2.39000000E+000 +5.54300000E+003 /
!


!
! allyl alcohol, terminal addition
! -------------

C6H12-1+OH<=>C6H11OH1-2+H  1.0 1.0 1.0  !A/1.5, EA-2KCAL, based on C5H11-2<=>C5H10-1/C5H10-2+H
!PLOG/	1.30E-03   -7.00E+14   -0.490	9043.0	/
!PLOG/	1.30E-03	1.78E+13	0.050	8611.0	/
PLOG/	1.30E-03	1.7800E+13	0.02	1.0711E+04	/  !SD REFIT, WITH MAE BELOW 15%
!PLOG/	1.00E-02   -7.00E+14   -0.490	9053.0	/
!PLOG/	1.00E-02	1.83E+13	0.050	8623.0	/
PLOG/	1.00E-02	1.1300E+13	0.05	1.0223E+04	/  !SD REFIT, WITH MAE BELOW 10%
!PLOG/	1.00E-01   -4.17E+15   -0.660	9794.0	/
!PLOG/	1.00E-01	2.07E+14   -0.220	9407.0	/
PLOG/	1.00E-01	2.1800E+13	-0.03	1.0607E+04	/  !SD REFIT, WITH MAE BELOW 10%
PLOG/	1.00E+00	5.38E+16   -1.000	13339.0	/
PLOG/	1.00E+00	6.10E+07	1.420	8087.0	/
PLOG/	1.00E+01	8.33E+22   -2.680	18993.0	/
PLOG/	1.00E+01	2.44E+05	2.140	8410.0	/
PLOG/	1.00E+02	1.39E+25   -3.160	24266.0	/
PLOG/	1.00E+02	5.46E+02	2.840	8481.0	/

! vinyl alcohol, central addition
! -------------

!c3h6 + oh = vinyl alcohol + ch3	4.06E-17	1.55	2310
!c3h6 + oh = vinyl alcohol + ch3	2.16E-20	2.11	308
C6H12-1+OH<=>C2H3OH+PC4H9  1.0 1.0 1.0 
PLOG/	1.30E-03	6.68E+07	1.42	2708.0	/
PLOG/	1.30E-03	1.29E+06	1.65	1233.0	/
PLOG/	1.00E-02	3.76E+08	1.21	3068.0	/
PLOG/	1.00E-02	1.82E+04	2.10	1162.0	/
PLOG/	1.00E-01	2.09E+12	0.13	5407.0	/
PLOG/	1.00E-01	1.40E+01	3.21	1208.0	/
PLOG/	1.00E+00	8.73E+20	-2.35	11290.0	/
PLOG/	1.00E+00	1.13E+04	2.50	3238.0	/
PLOG/	1.00E+01	2.27E-02	4.03	1952.0	/
PLOG/	1.00E+01	2.41E+19	-1.74	13107.0	/
PLOG/	1.00E+02	6.50E+22	-2.58	19256.0	/
PLOG/	1.00E+02	3.30E-01	3.70	3665.0	/

C6H12-2+OH<=>C5H9OH1-1+CH3  1.0 1.0 1.0 
PLOG/	1.30E-03	6.68E+07	1.42	2708.0	/
PLOG/	1.30E-03	1.29E+06	1.65	1233.0	/
PLOG/	1.00E-02	3.76E+08	1.21	3068.0	/
PLOG/	1.00E-02	1.82E+04	2.10	1162.0	/
PLOG/	1.00E-01	2.09E+12	0.13	5407.0	/
PLOG/	1.00E-01	1.40E+01	3.21	1208.0	/
PLOG/	1.00E+00	8.73E+20	-2.35	11290.0	/
PLOG/	1.00E+00	1.13E+04	2.50	3238.0	/
PLOG/	1.00E+01	2.27E-02	4.03	1952.0	/
PLOG/	1.00E+01	2.41E+19	-1.74	13107.0	/
PLOG/	1.00E+02	6.50E+22	-2.58	19256.0	/
PLOG/	1.00E+02	3.30E-01	3.70	3665.0	/

C6H12-2+OH<=>SC3H5OH+NC3H7  1.0 1.0 1.0 !BASED ON C5H10-2+H<=>C4H8-1+CH3/C5H10-2+H<=>C3H6+C2H5
PLOG/	1.30E-03	6.68E+07	1.42	2708.0	/
PLOG/	1.30E-03	1.29E+06	1.65	1233.0	/
PLOG/	1.00E-02	3.76E+08	1.21	3068.0	/
PLOG/	1.00E-02	1.82E+04	2.10	1162.0	/
PLOG/	1.00E-01	2.09E+12	0.13	5407.0	/
PLOG/	1.00E-01	1.40E+01	3.21	1208.0	/
PLOG/	1.00E+00	8.73E+20	-2.35	11290.0	/
PLOG/	1.00E+00	1.13E+04	2.50	3238.0	/
PLOG/	1.00E+01	2.27E-02	4.03	1952.0	/
PLOG/	1.00E+01	2.41E+19	-1.74	13107.0	/
PLOG/	1.00E+02	6.50E+22	-2.58	19256.0	/
PLOG/	1.00E+02	3.30E-01	3.70	3665.0	/

! propen-1-ol
! -----------

!c3h6 + oh = propen-1-ol + h	2.89E-14	0.69	6864
!c3h6 + oh = propen-1-ol + h	2.92E-18	1.57	4133
C6H12-1+OH<=>C6H11OH1-1+H  1.0 1.0 1.0  !
PLOG/	1.30E-03	6.50E+10	0.53	7292.0	/
PLOG/	1.30E-03	3.47E+06	1.53	4288.0	/
PLOG/	1.00E-02	2.27E+10	0.66	6968.0	/
PLOG/	1.00E-02	1.08E+07	1.34	4576.0	/
PLOG/	1.00E-01	3.13E+11	0.36	7785.0	/
PLOG/	1.00E-01	3.13E+05	1.69	4603.0	/
PLOG/	1.00E+00	2.91E+15	-0.74	11079.0	/
PLOG/	1.00E+00	1.03E+02	2.83	4530.0	/
PLOG/	1.00E+01	4.51E+19	-1.86	15763.0	/
PLOG/	1.00E+01	3.40E-02	3.89	4390.0	/
PLOG/	1.00E+02	3.79E+21	-2.30	20501.0	/
PLOG/	1.00E+02	4.46E-06	5.03	4132.0	/

! propen-2-ol 
! -----------

!c3h6 + oh = propen-2-ol + h	8.52E-21	2.42	2447
!c3h6 + oh = propen-2-ol + h	7.30E-27	3.67	-518
C6H12-1+OH<=>C6H11OH2-1+H  1.0 1.0 1.0
PLOG/	1.30E-03	9.33E+03	2.35	2635.0	/
PLOG/	1.30E-03	2.87E+00	2.92	625.0	/
PLOG/	1.00E-02	4.08E+04	2.17	3048.0	/
PLOG/	1.00E-02	4.84E-01	2.98	704.0	/
PLOG/	1.00E-01	1.51E+07	1.44	4816.0	/
PLOG/	1.00E-01	4.64E-05	4.48	687.0	/
PLOG/	1.00E+00	1.55E+10	0.62	7544.0	/
PLOG/	1.00E+00	7.65E-07	5.05	874.0	/
PLOG/	1.00E+01	1.48E-05	4.75	2168.0	/
PLOG/	1.00E+01	2.64E+15	-0.80	12728.0	/
PLOG/	1.00E+02	3.85E+19	-1.85	19219.0	/
PLOG/	1.00E+02	4.87E-04	4.32	4020.0	/

!c3h6 + oh = propen-2-ol + h	8.52E-21	2.42	2447
!c3h6 + oh = propen-2-ol + h	7.30E-27	3.67	-518
C6H12-2+OH<=>C6H11OH2-2+H  1.0 1.0 1.0  
PLOG/	1.30E-03	9.33E+03	2.35	2635.0	/
PLOG/	1.30E-03	2.87E+00	2.92	625.0	/
PLOG/	1.00E-02	4.08E+04	2.17	3048.0	/
PLOG/	1.00E-02	4.84E-01	2.98	704.0	/
PLOG/	1.00E-01	1.51E+07	1.44	4816.0	/
PLOG/	1.00E-01	4.64E-05	4.48	687.0	/
PLOG/	1.00E+00	1.55E+10	0.62	7544.0	/
PLOG/	1.00E+00	7.65E-07	5.05	874.0	/
PLOG/	1.00E+01	1.48E-05	4.75	2168.0	/
PLOG/	1.00E+01	2.64E+15	-0.80	12728.0	/
PLOG/	1.00E+02	3.85E+19	-1.85	19219.0	/
PLOG/	1.00E+02	4.87E-04	4.32	4020.0	/

!c3h6 + oh = propen-2-ol + h	8.52E-21	2.42	2447
!c3h6 + oh = propen-2-ol + h	7.30E-27	3.67	-518
C6H12-2+OH<=>C6H11OH3-2+H  1.0 1.0 1.0
PLOG/	1.30E-03	9.33E+03	2.35	2635.0	/
PLOG/	1.30E-03	2.87E+00	2.92	625.0	/
PLOG/	1.00E-02	4.08E+04	2.17	3048.0	/
PLOG/	1.00E-02	4.84E-01	2.98	704.0	/
PLOG/	1.00E-01	1.51E+07	1.44	4816.0	/
PLOG/	1.00E-01	4.64E-05	4.48	687.0	/
PLOG/	1.00E+00	1.55E+10	0.62	7544.0	/
PLOG/	1.00E+00	7.65E-07	5.05	874.0	/
PLOG/	1.00E+01	1.48E-05	4.75	2168.0	/
PLOG/	1.00E+01	2.64E+15	-0.80	12728.0	/
PLOG/	1.00E+02	3.85E+19	-1.85	19219.0	/
PLOG/	1.00E+02	4.87E-04	4.32	4020.0	/

! acetaldehyde
! ------------

!c3h6 + oh = acetaldehyde + ch3	1.48E-02	-4.56	464
!c3h6 + oh = acetaldehyde + ch3	1.27E-21	2.24	-1676
C6H12-1+OH<=>CH3CHO+PC4H9  1.0 1.0 1.0 !A/2, EA-4KCAL
!PLOG/	1.30E-03   -2.22E+07	0.890	-3460.0/
!PLOG/	1.30E-03	3.47E+05	1.490	-4536.0/
PLOG/	1.30E-03	4.0000E+04	1.68	-4.6360E+03 /  !SD REFIT, WITH MAE BELOW 10%
PLOG/	1.00E-02	9.35E+18	-2.960	951.0/
PLOG/	1.00E-02	2.97E+03	2.010	-4560.0/
PLOG/	1.00E-01	4.73E+14	-1.300	1272.0/
PLOG/	1.00E-01	3.92E-01	3.100	-4919.0/
PLOG/	1.00E+00	2.59E+16	-1.670	4264.0/
PLOG/	1.00E+00	1.58E-04	4.050	-5144.0/
PLOG/	1.00E+01	2.57E+18	-2.110	8359.0/
PLOG/	1.00E+01	3.80E-06	4.490	-4680.0/
PLOG/	1.00E+02	3.71E+19	-2.290	13262.0/
PLOG/	1.00E+02	2.73E-05	4.220	-2859.0/

!c3h6 + oh = acetaldehyde + ch3	1.48E-02	-4.56	464
!c3h6 + oh = acetaldehyde + ch3	1.27E-21	2.24	-1676
C6H12-1+OH<=>CH3+PC4H9CHO  1.0 1.0 1.0
!PLOG/	1.30E-03   -4.44E+07	0.89	540.0	/
!PLOG/	1.30E-03	6.93E+05	1.49	-536.0	/
PLOG/	1.30E-03	1.3000E+04	1.89	-1.2360E+03	/  !SD REFIT, WITH MAE BELOW 10%
PLOG/	1.00E-02	1.87E+19	-2.96	4951.0	/
PLOG/	1.00E-02	5.94E+03	2.01	-560.0	/
PLOG/	1.00E-01	9.45E+14	-1.30	5272.0	/
PLOG/	1.00E-01	7.83E-01	3.10	-919.0	/
PLOG/	1.00E+00	5.17E+16	-1.67	8264.0	/
PLOG/	1.00E+00	3.16E-04	4.05	-1144.0	/
PLOG/	1.00E+01	5.13E+18	-2.11	12359.0	/
PLOG/	1.00E+01	7.59E-06	4.49	-680.0	/
PLOG/	1.00E+02	7.41E+19	-2.29	17262.0	/
PLOG/	1.00E+02	5.45E-05	4.22	1141.0	/

!c3h6 + oh = acetaldehyde + ch3	1.48E-02	-4.56	464
!c3h6 + oh = acetaldehyde + ch3	1.27E-21	2.24	-1676
C6H12-2+OH<=>CH3CHO+PC4H9  1.0 1.0 1.0 !A/2, EA-4KCAL
!PLOG/	1.30E-03   -2.22E+07	0.890	-3460.0/
!PLOG/	1.30E-03	3.47E+05	1.490	-4536.0/
PLOG/	1.30E-03	1.6000E+04	1.79	-4.9360E+03/  !SD REFIT, WITH MAE BELOW 10%
PLOG/	1.00E-02	9.35E+18	-2.960	951.0/
PLOG/	1.00E-02	2.97E+03	2.010	-4560.0/
PLOG/	1.00E-01	4.73E+14	-1.300	1272.0/
PLOG/	1.00E-01	3.92E-01	3.100	-4919.0/
PLOG/	1.00E+00	2.59E+16	-1.670	4264.0/
PLOG/	1.00E+00	1.58E-04	4.050	-5144.0/
PLOG/	1.00E+01	2.57E+18	-2.110	8359.0/
PLOG/	1.00E+01	3.80E-06	4.490	-4680.0/
PLOG/	1.00E+02	3.71E+19	-2.290	13262.0/
PLOG/	1.00E+02	2.73E-05	4.220	-2859.0/

!c3h6 + oh = acetaldehyde + ch3	1.48E-02	-4.56	464
!c3h6 + oh = acetaldehyde + ch3	1.27E-21	2.24	-1676
C6H12-2+OH<=>C2H5CHO+NC3H7  1.0 1.0 1.0 !EA-4KCAL
!PLOG/	1.30E-03   -4.44E+07	0.890	-3460.0/
!PLOG/	1.30E-03	6.94E+05	1.490	-4536.0/
PLOG/	1.30E-03	3.1000E+04	1.79	-4.9360E+03/  !SD REFIT, WITH MAE BELOW 10%
PLOG/	1.00E-02	1.87E+19	-2.960	951.0/
PLOG/	1.00E-02	5.94E+03	2.010	-4560.0/
PLOG/	1.00E-01	9.46E+14	-1.300	1272.0/
PLOG/	1.00E-01	7.84E-01	3.100	-4919.0/
PLOG/	1.00E+00	5.18E+16	-1.670	4264.0/
PLOG/	1.00E+00	3.16E-04	4.050	-5144.0/
PLOG/	1.00E+01	5.14E+18	-2.110	8359.0/
PLOG/	1.00E+01	7.60E-06	4.490	-4680.0/
PLOG/	1.00E+02	7.42E+19	-2.290	13262.0/
PLOG/	1.00E+02	5.46E-05	4.220	-2859.0/

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ISOMERIZATION
!___________________________________________________________________________________________________________ 
!DONG 0605
C6H12OH15<=>C6H12OH-1J2                           +2.95000000E+031 -6.74000000E+000 +2.84500000E+004 !\Author: SD !\Ref: R. VAN DE VIJVER ET AL. COMBUSTION AND FLAME 196(2018) 500-514. \COMMENT !\Comment: WARNING 
C6H12OH15<=>C6H12OH11                             +9.52000000E+017 -2.67000000E+000 +1.56100000E+004 !\Author: SD !\Ref: R. VAN DE VIJVER ET AL. COMBUSTION AND FLAME 196(2018) 500-514. \COMMENT !\Comment: WARNING 
C6H12OH15<=>C6H13O-1                              +8.79000000E+006 +0.00000000E+000 +8.79600000E+003 !\Author: SD !\Ref: R. VAN DE VIJVER ET AL. COMBUSTION AND FLAME 196(2018) 500-514. \COMMENT !\Comment: WARNING 
!DONG 0605!C6H12OH14<=>C6H13O-1                              +1.42000000E+009 +0.00000000E+000 +9.10600000E+003 !\Author: SD !\Ref: R. VAN DE VIJVER ET AL. COMBUSTION AND FLAME 196(2018) 500-514. \COMMENT !\Comment: WARNING 
!DONG 0605!C6H12OH14<=>C6H12OH11                             +8.16000000E+032 -6.96000000E+000 +2.62400000E+004 !\Author: SD !\Ref: R. VAN DE VIJVER ET AL. COMBUSTION AND FLAME 196(2018) 500-514. \COMMENT !\Comment: WARNING 
C6H12OH-1J2<=>C6H12OH16                           +4.08200000E+033 -7.41000000E+000	+2.34970000E+004 !EA-3KCAL/MOLE 
C6H12OH16<=>C6H12OH11                             +9.52000000E+017 -2.67000000E+000 +1.26100000E+004 !EA-3KCAL/MOLE \Author: SD !\Ref: R. VAN DE VIJVER ET AL. COMBUSTION AND FLAME 196(2018) 500-514. \COMMENT !\Comment: WARNING 

!DONG 0618!!DONG 0618
!DONG 0618!C6H12OH-2J1<=>C6H12OH25                            9.9E+0007  1.000  12000.0  ! IS 392 KB
!DONG 0923!C6H12OH-2J1<=>C6H12OH25                           +1.82000000E+001 +2.55000000E+000 +1.09610000E+004 !A/10 \Author: WARNING !\Ref: WARNING !\Comment: C6H13-1=C6H13-2
C6H12OH-2J1<=>C6H12OH25                           +1.82000000E+002 +2.55000000E+000 +1.09610000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: C6H13-1=C6H13-2

!DONG 0618!C6H12OH25<=>C6H12OH22                              2.9E+0008  1.000  13300.0  ! IS 448 KB
C6H12OH25<=>C6H12OH22                             +9.52000000E+017 -2.67000000E+000 +1.26100000E+004 !EA-3KCAL \Author: SD !\Ref: R. VAN DE VIJVER ET AL. COMBUSTION AND FLAME 196(2018) 500-514. \COMMENT !\Comment: C5H10OH15<=>C5H10OH11

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
!DONG 0605!C6H12OH14<=>PC2H4OH+C4H8-1                        +3.13000000E+023 -2.87000000E+000 +3.17700000E+004 !\Author: WARNING !\Ref: R. VAN DE VIJVER ET AL. COMBUSTION AND FLAME 196(2018) 500-514. \COMMENT !\Comment: WARNING 
C6H12OH15<=>C3H6OH1-3+C3H6                        +1.35000000E+016 -7.90000000E-001 +3.07100000E+004 !\Author: WARNING !\Ref: R. VAN DE VIJVER ET AL. COMBUSTION AND FLAME 196(2018) 500-514. \COMMENT !\Comment: WARNING 
C6H12OH16<=>PC4H8OH-4+C2H4                        +1.35000000E+016 -7.90000000E-001 +3.07100000E+004 !\Author: WARNING !\Ref: R. VAN DE VIJVER ET AL. COMBUSTION AND FLAME 196(2018) 500-514. \COMMENT !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS:  \R+O2<=>RO2                                \A              \N              \EA            
!___________________________________________________________________________________________________________ 
!DONG 0605!C6H12OH14+O2<=>C6H12OH-4O2                        +3.48700000E+014 -8.16000000E-001 -5.36500000E+002 !\AUTHOR: JB !\REF: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\COMMENT: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL                                                                           
C6H12OH15+O2<=>C6H12OH-5O2                        +3.48700000E+014 -8.16000000E-001 -5.36500000E+002 !\AUTHOR: JB !\REF: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\COMMENT: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL                                                                           
C6H12OH16+O2<=>C6H12OH-6O2                        +3.48700000E+014 -8.16000000E-001 -5.36500000E+002 !\AUTHOR: JB !\REF: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\COMMENT: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL                                                                           
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS:  \A-HYDROXYALKYL RADICAL+O2                 \A              \N              \EA            
!___________________________________________________________________________________________________________ 
C6H12OH11+O2<=>C6H12OH-1O2                        +4.05000000E+013 -3.10000000E-001 -3.36000000E+002 !HPL TAKEN \AUTHOR: SD!\REF:DA SILVA, et al. J. PHYS. CHEM. A 2009, 113, 8923-8933 !\COMMENT:
C6H12OH-1O2<=>NC5H11CHO+HO2                       +9.04600000E+009 +6.94000000E-001	+1.23500000E+004 !HPL TAKEN \AUTHOR: SD!\REF:Duan, Yaozong, et al. Combustion and Flame 219 (2020): 20-32.!\COMMENT:

!DONG 0618
C6H12OH22+O2<=>C6H12OH2-2O2                        +4.05000000E+013 -3.10000000E-001 -3.36000000E+002 !HPL TAKEN \AUTHOR: SD!\REF:DA SILVA, et al. J. PHYS. CHEM. A 2009, 113, 8923-8933 !\COMMENT:
C6H12OH2-2O2<=>C6Y2+HO2                            +9.04600000E+009 +6.94000000E-001 +1.23500000E+004 !HPL TAKEN \AUTHOR: SD!\REF:Duan, Yaozong, et al. Combustion and Flame 219 (2020): 20-32.!\COMMENT:
!
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>ALKENE+HO2
!___________________________________________________________________________________________________________ 
C6H12OH-5O2<=>C6H11OH1-4+HO2                      +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: SD !\Ref: ALKANE RATE RULES !\Comment:
C6H12OH-6O2<=>C6H11OH1-5+HO2                      +3.87000000E+007 +1.58000000E+000 +2.85000000E+004 !\Author: SD !\Ref: ALKANE RATE RULES !\Comment:


!
C6H11OH1-4+O2=C6H10OH1-4,3+HO2                    +6.06000000E+001 +3.45000000E+000 +3.46000000E+004 !\Author: SD !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C6H11OH1-4+OH=C6H10OH1-4,3+H2O                    +2.02000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: SD !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: SD, ANALOGY FROM C4H8-1+OH=C4H71-3+H2O 
C6H11OH1-4+H=C6H10OH1-4,3+H2                      +4.53300000E+005 +2.48700000E+000 +2.48324000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C6H11OH1-4+O=C6H10OH1-4,3+OH                      +6.47000000E-003 +4.54000000E+000 -4.66980000E+003 !\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C6H11OH1-4+HO2=C6H10OH1-4,3+H2O2                  +7.82000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C6H11OH1-4+CH3=C6H10OH1-4,3+CH4                   +1.69400000E+002 +3.12000000E+000 +5.78000000E+003 !\Author: SD !\Ref: WANG, KUN, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.9(2015) !\Comment: WARNING 
C6H11OH1-4+CH3O2=C6H10OH1-4,3+CH3O2H              +3.91000000E-001 +3.97000000E+000 +1.37020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C6H10OH1-4,3+HO2<=>C6H10OH1-4,3O+OH               +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
C6H10OH1-4,3O<=>SC3H5CHO+PC2H4OH                  +4.38000000E+016 -8.90000000E-001 +1.65300000E+004 !\Author: WARNING !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 

!
C6H11OH1-5+O2=C6H10OH1-5,4+HO2                    +6.06000000E+001 +3.45000000E+000 +3.46000000E+004 !\Author: SD !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C6H11OH1-5+OH=C6H10OH1-5,4+H2O                    +2.02000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: SD !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: SD, ANALOGY FROM C4H8-1+OH=C4H71-3+H2O 
C6H11OH1-5+H=C6H10OH1-5,4+H2                      +4.53300000E+005 +2.48700000E+000 +2.48324000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C6H11OH1-5+O=C6H10OH1-5,4+OH                      +6.47000000E-003 +4.54000000E+000 -4.66980000E+003 !\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C6H11OH1-5+HO2=C6H10OH1-5,4+H2O2                  +7.82000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C6H11OH1-5+CH3=C6H10OH1-5,4+CH4                   +1.69400000E+002 +3.12000000E+000 +5.78000000E+003 !\Author: SD !\Ref: WANG, KUN, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.9(2015) !\Comment: WARNING 
C6H11OH1-5+CH3O2=C6H10OH1-5,4+CH3O2H              +3.91000000E-001 +3.97000000E+000 +1.37020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C6H10OH1-5,4+HO2<=>C6H10OH1-5,4O+OH               +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
C6H10OH1-5,4O<=>C2H3CHO+C3H6OH1-3                 +4.38000000E+016 -8.90000000E-001 +1.65300000E+004 !\Author: WARNING !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 

!C6H11OH3-3
!C6H11OH4-2

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>QOOH
!___________________________________________________________________________________________________________ 
C6H12OH-1O2-2<=>C6H11OH1Q2-1                      +1.76000000E+003 +2.69000000E+000 +2.14980000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H12OH-1O2-2<=>C6H11OH1Q2-3                      +2.77000000E-001 +3.77000000E+000 +2.39920000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H12OH-1O2-2<=>C6H11OH1Q2-4                      +7.15000000E+005 +1.67000000E+000 +1.62210000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H12OH-1O2-2<=>C6H11OH1Q2-5                      +8.68000000E+002 +2.31000000E+000 +1.36000000E+004 !\Author: WARNING !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H12OH-1O2-2<=>C6H11OH1Q2-6                      +2.94100000E+005 +1.50000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

C6H12OH-5O2<=>C6H11OH1Q5-2                        +3.72000000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: C6H13O2-2=C6H12OOH2-5
C6H12OH-5O2<=>C6H11OH1Q5-3                        +7.03000000E+010 +2.00000000E-001 +1.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: C6H13O2-2=C6H12OOH2-4 
C6H12OH-6O2<=>C6H11OH1Q6-2                        +2.60000000E+006 +1.00000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: C6H13O2-1=C6H12OOH1-5 
C6H12OH-6O2<=>C6H11OH1Q6-3                        +3.72000000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: C6H13O2-1=C6H12OOH1-4 
C6H12OH-6O2<=>C6H11OH1Q6-4                        +1.36000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: C6H13O2-1=C6H12OOH1-3 

C6H12OH-2O2-1<=>C6H11OH2Q1-2                      +1.92000000E+005 +2.03000000E+000 +2.01900000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H12OH-2O2-1<=>C6H11OH2Q1-3                      +5.76000000E+006 +1.54000000E+000 +1.79440000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H12OH-2O2-1<=>C6H11OH2Q1-4                      +8.36000000E+006 +1.26000000E+000 +1.63330000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H12OH-2O2-3<=>C6H11OH2Q3-1                      +4.12000000E+004 +2.20000000E+000 +1.97840000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H12OH-2O2-3<=>C6H11OH2Q3-2                      +2.85000000E+005 +2.00000000E+000 +1.95600000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H12OH-2O2-3<=>C6H11OH2Q3-4                      +2.77000000E-001 +3.77000000E+000 +2.39920000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OH-2O2-3<=>C6H11OH2Q3-5                      +7.15000000E+005 +1.67000000E+000 +1.62210000E+004 !\Author: WARNING !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H12OH-2O2-3<=>C6H11OH2Q3-6                      +2.29000000E+002 +2.53000000E+000 +1.70050000E+004 !\Author: WARNING !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H12OH-3O2-2<=>C6H11OH3Q2-1                      +1.35000000E-003 +4.55000000E+000 +2.69850000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H12OH-3O2-2<=>C6H11OH3Q2-3                      +2.85000000E+005 +2.00000000E+000 +1.95600000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H12OH-3O2-2<=>C6H11OH3Q2-4                      +2.34000000E+007 +1.41000000E+000 +1.78290000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H12OH-3O2-2<=>C6H11OH3Q2-5                      +2.64000000E+007 +1.16000000E+000 +1.66090000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: A-HYDROXYPEROXYRADICAL+O2
!___________________________________________________________________________________________________________ 
!DONG 0329!C6H11OH2Q3-2+O2<=>C6H11OH2Q3-2O2                  +3.36600000E+010 +7.61000000E-001 -1.63586000E+003 !\Author: WARNING !\Ref: J. ZADOR ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 271-277 !\Comment: WARNING 
!DONG 0329!C6H11OH2Q3-2O2<=>C6KET23+HO2                      +3.78000000E+020 -2.42900000E+000 +3.09000000E+003 !\Author: WARNING !\Ref: DA SILVA, ET AL. J. PHYS. CHEM. A 2009, 113, 8923-8933 !\Comment: WARNING 

C6H11OH2Q3-2+O2=C6KET23+HO2                          3.78E+20   -2.429    3090 !DA SILVA J. PHYS. CHEM. A 2009, 113, 8923
PLOG /  1.00E-03  5.26E+17   -1.637     838 / 
PLOG /  1.00E-02  5.26E+17   -1.637     838 / 
PLOG /  1.00E-01  5.26E+17   -1.637     838 / 
PLOG /  1.00E+00  5.28E+17   -1.638     839 / 
PLOG /  1.00E+01  1.54E+18   -1.771    1120 / 
PLOG /  1.00E+02  3.78E+20   -2.429    3090 / 

!DONG 0329!C6H11OH3Q2-3+O2<=>C6H11OH3Q2-3O2                  +3.36600000E+010 +7.61000000E-001 -1.63586000E+003 !\Author: WARNING !\Ref: J. ZADOR ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 271-277 !\Comment: WARNING 
!DONG 0329!C6H11OH3Q2-3O2<=>C6KET32+HO2                      +3.78000000E+020 -2.42900000E+000 +3.09000000E+003 !\Author: WARNING !\Ref: DA SILVA, ET AL. J. PHYS. CHEM. A 2009, 113, 8923-8933 !\Comment: WARNING 

C6H11OH3Q2-3+O2=C6KET32+HO2                          3.78E+20   -2.429    3090 !DA SILVA J. PHYS. CHEM. A 2009, 113, 8923
PLOG /  1.00E-03  5.26E+17   -1.637     838 / 
PLOG /  1.00E-02  5.26E+17   -1.637     838 / 
PLOG /  1.00E-01  5.26E+17   -1.637     838 / 
PLOG /  1.00E+00  5.28E+17   -1.638     839 / 
PLOG /  1.00E+01  1.54E+18   -1.771    1120 / 
PLOG /  1.00E+02  3.78E+20   -2.429    3090 / 

!DONG 0329!C6H11OH1Q2-1+O2<=>C6KET12+HO2                     +1.68300000E+010 +7.61000000E-001 -1.63586000E+003 !\Author: WARNING !\Ref: J. ZADOR ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 271-277 !\Comment: WARNING 

C6H11OH1Q2-1+O2=C6KET12+HO2                          3.78E+20   -2.429    3090 !DA SILVA J. PHYS. CHEM. A 2009, 113, 8923
PLOG /  1.00E-03  5.26E+17   -1.637     838 / 
PLOG /  1.00E-02  5.26E+17   -1.637     838 / 
PLOG /  1.00E-01  5.26E+17   -1.637     838 / 
PLOG /  1.00E+00  5.28E+17   -1.638     839 / 
PLOG /  1.00E+01  1.54E+18   -1.771    1120 / 
PLOG /  1.00E+02  3.78E+20   -2.429    3090 / 

!DONG 0329!C6H11OH2Q1-2+O2<=>C6KET21+HO2                     +3.36600000E+010 +7.61000000E-001 -1.63586000E+003 !\Author: WARNING !\Ref: J. ZADOR ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 271-277 !\Comment: WARNING 

C6H11OH2Q1-2+O2=C6KET21+HO2                          3.78E+20   -2.429    3090 !DA SILVA J. PHYS. CHEM. A 2009, 113, 8923
PLOG /  1.00E-03  5.26E+17   -1.637     838 / 
PLOG /  1.00E-02  5.26E+17   -1.637     838 / 
PLOG /  1.00E-01  5.26E+17   -1.637     838 / 
PLOG /  1.00E+00  5.28E+17   -1.638     839 / 
PLOG /  1.00E+01  1.54E+18   -1.771    1120 / 
PLOG /  1.00E+02  3.78E+20   -2.429    3090 / 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOHDECOMPOSITIONS
!___________________________________________________________________________________________________________ 
C6H11OH1Q2-1<=>C6H11OH1-1+HO2                     +5.22000000E+014 -2.40000000E-001 +1.66580000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H11OH1Q2-3<=>C6H11OH1-2+HO2                     +1.97000000E+010 +7.40000000E-001 +1.42800000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H11OH2Q1-2<=>C6H11OH2-1+HO2                     +5.46000000E+010 +9.20000000E-001 +1.48810000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H11OH2Q3-2<=>C6H11OH2-2+HO2                     +1.22000000E+013 +2.40000000E-001 +1.52710000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H11OH2Q3-4<=>C6H11OH2-3+HO2                     +1.97000000E+010 +7.40000000E-001 +1.42800000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H11OH3Q2-1<=>C6H11OH3-1+HO2                     +8.17000000E+009 +8.00000000E-001 +1.42310000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H11OH3Q2-3<=>C6H11OH3-2+HO2                     +1.22000000E+013 +2.40000000E-001 +1.52710000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H11OH1Q2-4=>HOCH2CHO+C4H8-1+OH                  +3.08100000E+013 +0.00000000E+000 +2.57977900E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C6H11OH2Q1-3=>CH2O+C5H9OH1-1+OH                   +3.08100000E+013 +0.00000000E+000 +2.56716500E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C6H11OH2Q3-1=>NC3H7CHO+C2H3OH+OH                  +3.08100000E+013 +0.00000000E+000 +2.35993500E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C6H11OH2Q3-5=>CHOCOHCH3+C3H6+OH                   +3.08100000E+013 +0.00000000E+000 +2.53843900E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C6H11OH3Q2-4=>CH3CHO+C4H71-1OH+OH                 +3.08100000E+013 +0.00000000E+000 +2.38108200E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C6H11OH1Q2-5<=>QC3H5OHP+C3H6                      +1.39200000E+014 +0.00000000E+000 +2.81370900E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
!DONG 0824!C6H11OH1Q2-5<=>QC3H5OHP+C3H6                      +1.39200000E+014 +0.00000000E+000 +2.51370900E+004 !EA-3KCAL/MOLE \Author: SD !\Ref: WARNING !\Comment: WARNING 

C6H11OH3Q2-5<=>TQC3H5OHI+C3H6                     +1.39200000E+014 +0.00000000E+000 +2.57646600E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C6H11OH2Q3-6=>C4H71-3OH+HO2+C2H4                  +1.39200000E+014 +0.00000000E+000 +2.94195600E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH<=>CYCETH+OH
!___________________________________________________________________________________________________________ 
C6H11OH1Q2-1<=>C6H11OH1O1-2+OH                    +3.90000000E+012 +2.00000000E-002 +9.53200000E+003 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H11OH1Q2-3<=>C6H11OH1O2-3+OH                    +2.76000000E+009 +1.01000000E+000 +8.03100000E+003 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H11OH1Q2-4<=>C6H11OH1O2-4+OH                    +2.44000000E+011 -8.00000000E-002 +1.27630000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H11OH1Q2-5<=>C6H11OH1O2-5+OH                    +7.59000000E+013 -1.08000000E+000 +9.09300000E+003 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
!DONG 0923!C6H11OH1Q2-1<=>C6H11OH1O1-2+OH                    +1.95000000E+012 +2.00000000E-002 +9.53200000E+003 !*0.5 \Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
!DONG 0923!C6H11OH1Q2-3<=>C6H11OH1O2-3+OH                    +1.38000000E+009 +1.01000000E+000 +8.03100000E+003 !*0.5 \Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
!DONG 0923!C6H11OH1Q2-4<=>C6H11OH1O2-4+OH                    +1.22000000E+011 -8.00000000E-002 +1.27630000E+004 !*0.5 \Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
!DONG 0923!C6H11OH1Q2-5<=>C6H11OH1O2-5+OH                    +3.79500000E+013 -1.08000000E+000 +9.09300000E+003 !*0.5 \Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
!
C6H11OH1Q2-6<=>C6H11OH1O2-6+OH                    +1.04000000E+010 +0.00000000E+000 +1.19088200E+004 !\Author: WARNING !\Ref: WARNING !\Comment: C6H12OOH2-6=C6H12O1-5+OH
C6H11OH1Q5-2<=>C6H11OH1O2-5+OH                    +4.81000000E+007 +9.40000000E-001 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: C6H12OOH2-5=C6H12O2-5+OH
C6H11OH1Q5-3<=>C6H11OH1O3-5+OH                    +6.34000000E+011 +0.00000000E+000 +1.76121000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: C6H12OOH2-4=C6H12O2-4+OH
C6H11OH1Q6-2<=>C6H11OH1O2-6+OH                    +1.04000000E+010 +0.00000000E+000 +1.11370000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: C6H12OOH1-5=C6H12O1-5+OH
C6H11OH1Q6-3<=>C6H11OH1O3-6+OH                    +2.77000000E+010 +0.00000000E+000 +1.05011000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: C6H12OOH1-4=C6H12O1-4+OH
C6H11OH1Q6-4<=>C6H11OH1O4-6+OH                    +9.51000000E+011 +0.00000000E+000 +1.66197000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: C6H12OOH1-3=C6H12O1-3+OH

C6H11OH2Q1-2<=>C6H11OH2O1-2+OH                    +8.62000000E+010 +5.60000000E-001 +9.18400000E+003 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H11OH2Q1-3<=>C6H11OH2O1-3+OH                    +6.83000000E+013 -5.90000000E-001 +1.84100000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H11OH2Q1-4<=>C6H11OH2O1-4+OH                    +1.90000000E+010 +5.00000000E-002 +1.07670000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 

C6H11OH2Q3-6<=>C6H11OH2O3-6+OH                    +2.77000000E+010 +0.00000000E+000 +1.34602000E+004 !\Author: SD !\Ref: ALKANE RATE RULES !\Comment: WARNING 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: CYCETHDECOMPOSITIONS
!___________________________________________________________________________________________________________ 
C6H11OH1O1-2+OH=>H2O+C2H4+CO2+NC3H7               +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C6H11OH1O2-3+OH=>H2O+C2H3OH+CO+NC3H7              +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C6H11OH1O2-4+OH=>H2O+C2H5CO+C3H5OH                +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C6H11OH1O2-4+OH=>H2O+HOCH2CO+C4H8-1               +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 

C6H11OH1O3-5+OH=>H2O+CH3CO+C4H71-4OH              +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C6H11OH1O3-6+OH=>H2O+C2H4+CH2CO+SC2H4OH           +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C6H11OH1O4-6+OH=>H2O+C2H4+CO+C3H6OH1-3            +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 

C6H11OH2O3-6+OH=>H2O+C2H4+CH2CO+SC2H4OH           +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 

!DONG 0618!C6H11OH1O2-5+OH=>H2O+CH3COCH2+C3H5OH              +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!DONG 0812!C6H11OH1O2-5+OH=>H2O+CH3COCH2+C3H5OH              +9.04000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!DONG 0618!C6H11OH1O2-5+OH=>H2O+HOCH2COCH2+C3H6              +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!DONG 0812!C6H11OH1O2-5+OH=>H2O+HOCH2COCH2+C3H6              +9.04000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!

C6H11OH1O2-5+O<=>C6H11O1O2-5+OH                                          +1.4600000E-003 +4.7300000E+000 +1.7270000E+003   !\AUTHOR: !\REF:WU ET AL., J. PHYS. CHEM. A 2007, 111, 6693-6703 !\COMMENT:
C6H11OH1O2-5+OH<=>C6H11O1O2-5+H2O                                        +5.8100000E-003 +4.2800000E+000 -3.5600000E+003   !\AUTHOR: !\REF: SMB 04/ 09/ 2013 !\COMMENT: Branching ratio changed for the underprediciotn of c2h4 in the JSR and flow reactor
C6H11OH1O2-5+H<=>C6H11O1O2-5+H2                                          +9.4500000E+002 +3.1400000E+000 +8.7011000E+003   !\AUTHOR: !\REF:SIVARAMAKRISHNAN J. PHYS. CHEM. A, VOL. 114, NO. 35, 2010 !\COMMENT:
C6H11OH1O2-5+HO2<=>C6H11O1O2-5+H2O2                                      +6.4700000E-007 +5.3000000E+000 +1.0533100E+004   !\AUTHOR: !\REF: Mittal 2013 !\COMMENT: increased by 1.75 Zhou WARNING: WHAT IS SOURCE OF RATE CONSTANT?
C6H11OH1O2-5+CH3<=>C6H11O1O2-5+CH4                                       +2.0350000E+000 +3.5700000E+000 +7.7210000E+003   !\AUTHOR: !\REF:XU, Z.F. ET AL., J. CHEM. PHYS. 120,6593-6599, 2004 !\COMMENT:
C6H11OH1O2-5+CH3O2<=>C6H11O1O2-5+CH3O2H                                  +3.2360000E-007 +5.3000000E+000 +1.0533100E+004   !\AUTHOR: !\REF:ANAOLGY WITH C2H5OH+HO2 !\COMMENT:

C6H11OH1O2-5+O2<=>C6H10OH11O2-5+HO2                                      +1.5000000E+013 +0.0000000E+000 +5.0150000E+004   !\AUTHOR: !\REF:SIVARAMAKRISHNAN J. PHYS. CHEM. A, VOL. 114, NO. 35, 2010 !\COMMENT:
C6H11OH1O2-5+O<=>C6H10OH11O2-5+OH                                        +1.4500000E+005 +2.4700000E+000 +8.7600000E+002   !\AUTHOR: !\REF:WU ET AL., J. PHYS. CHEM. A 2007, 111, 6693-6703 !\COMMENT:
C6H11OH1O2-5+H<=>C6H10OH11O2-5+H2                                        +8.7900000E+004 +2.6800000E+000 +2.9100000E+003   !\AUTHOR: !\REF:SIVARAMAKRISHNAN J. PHYS. CHEM. A, VOL. 114, NO. 35, 2010 !\COMMENT:
C6H11OH1O2-5+OH<=>C6H10OH11O2-5+H2O                                      +7.5200000E+004 +2.4900000E+000 -1.4741000E+003   !\AUTHOR: !\REF: SMB 04/ 09/ 2013 !\COMMENT: Branching ratio changed for the underprediciotn of c2h4 in the JSR and flow reactor
C6H11OH1O2-5+HO2<=>C6H10OH11O2-5+H2O2                                    +2.4500000E-005 +5.2600000E+000 +7.4751000E+003   !\AUTHOR: !\REF: Mittal 2013 !\COMMENT: increased by 1.75 Zhou WARNING: WHAT IS SOURCE OF RATE CONSTANT?
C6H11OH1O2-5+CH3<=>C6H10OH11O2-5+CH4                                     +1.9930000E+001 +3.3700000E+000 +7.6340000E+003   !\AUTHOR: !\REF:XU, Z.F. ET AL., J. CHEM. PHYS. 120,6593-6599, 2004 !\COMMENT:
C6H11OH1O2-5+CH3O2<=>C6H10OH11O2-5+CH3O2H                                +1.2250000E-005 +5.2600000E+000 +7.4751000E+003   !\AUTHOR: !\REF:ANAOLGY WITH C2H5OH+HO2 !\COMMENT:
C6H11OH1O2-5+C2H5<=>C6H10OH11O2-5+C2H6                                   +5.0000000E+010 +0.0000000E+000 +1.0400000E+004   !\AUTHOR: !\REF:ESTIMATE !\COMMENT: WARNING: WHAT IS SOURCE OF RATE CONSTANT?

MTHF-J5+CH2O=C6H11O1O2-5                                                  1.000E+11 0.00 11900 ! Tripathi, 2MTHF
MTHF-J5=PC4H8CHO-3                                                        5.00E+13 0.00 21821.0

C6H10OH11O2-5+O2<=>DMTHFCHO+HO2                                          +5.26000000E+017 -1.63800000E+000 +8.69000000E+002 !SC2H4OH+O2<=>CH3CHO+HO2\Author: WARNING !\Ref: DA SILVA J. PHYS. CHEM. A 2009, 113, 8923-8933 !\Comment: WARNING 

DMTHFCHO+OH=DMTHFCO+H2O                                                  +2.80000000E+012 +0.00000000E+000 -7.09000000E+002 !CH3CHO+OH=CH3CO+H2O\Author: SP !\Ref: S. WANG, D.F. DAVIDSON, R.K. HANSON, PROC. COMBUST. INST. 35(2015) 473-480. !\Comment: WARNING 
DMTHFCHO+HO2=DMTHFCO+H2O2                                                +1.70000000E+013 +0.00000000E+000 +1.62930000E+004 !CH3CHO+HO2=CH3CO+H2O2\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

DMTHFCO<=>MTHF-J5+CO                                                     +1.07000000E+012 +6.30000000E-001 +1.69000000E+004 !HPL, CH3CO(+M)<=>CH3+CO(+M)\Author: WARNING !\Ref: J. PHYS. CHEM. A 2006, 110, 5772-5781 !\Comment: WARNING 

C6H11OH1O2-5+O2=C6H10OH1O2-5-2J+HO2                             4.00E+13   0.0     49640 !2MTHF Fenard 2017 x2 sym 
C6H11OH1O2-5+O=C6H10OH1O2-5-2J+OH                               3.40E+08   1.50	  -667   !De Bruycker, 2MTHF, Evans-Polanyi x2 sym
C6H11OH1O2-5+H=C6H10OH1O2-5-2J+H2                               7.84E+05   2.354   637.7 !Simmie 2012 2H
C6H11OH1O2-5+OH=C6H10OH1O2-5-2J+H2O                             2.40E+06   2.00	  -3331  !De Bruycker, 2MTHF,	Evans-Polanyi x2 sym
C6H11OH1O2-5+HO2=C6H10OH1O2-5-2J+H2O2                           1.30E+02   3.27    6410  !Chakravarty 2013 TST with Exact Solution for Torsional Motions x2 sym
C6H11OH1O2-5+CH3=C6H10OH1O2-5-2J+CH4                            4.86E+03   2.818   8727  !Simmie 2012 2H
C6H11OH1O2-5+CH3O=C6H10OH1O2-5-2J+CH3OH			                1.45E+11   0.00	   4500  !De Bruycker, 2MTHF, Evans-Polanyi x2 sym
C6H11OH1O2-5+CH3O2=C6H10OH1O2-5-2J+CH3O2H                       206        3.12    13190 !

C6H11OH1O2-5+O2=C6H10OH1O2-5-5J+HO2                             4.00E+13   0.0     49640 !2MTHF Fenard 2017 x2 sym 
C6H11OH1O2-5+O=C6H10OH1O2-5-5J+OH                               3.40E+08   1.50	  -667   !De Bruycker, 2MTHF, Evans-Polanyi x2 sym
C6H11OH1O2-5+H=C6H10OH1O2-5-5J+H2                               7.84E+05   2.354   637.7 !Simmie 2012 2H
C6H11OH1O2-5+OH=C6H10OH1O2-5-5J+H2O                             2.40E+06   2.00	  -3331  !De Bruycker, 2MTHF,	Evans-Polanyi x2 sym
C6H11OH1O2-5+HO2=C6H10OH1O2-5-5J+H2O2                           1.30E+02   3.27    6410  !Chakravarty 2013 TST with Exact Solution for Torsional Motions x2 sym
C6H11OH1O2-5+CH3=C6H10OH1O2-5-5J+CH4                            4.86E+03   2.818   8727  !Simmie 2012 2H
C6H11OH1O2-5+CH3O=C6H10OH1O2-5-5J+CH3OH			                1.45E+11   0.00	   4500  !De Bruycker, 2MTHF, Evans-Polanyi x2 sym
C6H11OH1O2-5+CH3O2=C6H10OH1O2-5-5J+CH3O2H                       206        3.12    13190 !

C6H10OH1O2-5-2J=NC6KET2OH1-5                                    2.44e+13   0.0     21630 !Simmie 2012 /2
NC6KET2OH1-5<=>C3H6+HOCH2COCH2                                  2.76e+12   0.0     20674 !Simmie 2012

C6H10OH1O2-5-5J=NC6KET5OH1-2                                    2.44e+13   0.0     21630 !Simmie 2012 /2
NC6KET5OH1-2<=>C3H5OH+CH3COCH2                                  2.76e+12   0.0     20674 !Simmie 2012

C6H10OH1O2-5-2J+O2=C6H10OH1O2-5-2O2                             3.25E+11    0.325  -417.3 ! TERTIARY /3, O in alpha (/3 see THF article)
C6H10OH1O2-5-2O2=C6H9OH1O2-5-D2+HO2                             3.30E+09   1.15    28300 ! Carstensen calculations

C6H9OH1O2-5-D2+O2   =DMTHFOH1D2-4J+HO2                     +1.0000000E+014 +0.0000000E+000 +3.7190000E+004 !As C4H8-1
C6H9OH1O2-5-D2+OH   =DMTHFOH1D2-4J+H2O                     +7.7690000E+005 +2.2000000E+000 -4.3718000E+002
C6H9OH1O2-5-D2+HO2  =DMTHFOH1D2-4J+H2O2                    +7.8200000E-001 +3.9700000E+000 +1.1702000E+004
C6H9OH1O2-5-D2+O    =DMTHFOH1D2-4J+OH                      +1.7500000E+011 +7.0000000E-001 +5.8840000E+003
C6H9OH1O2-5-D2+H    =DMTHFOH1D2-4J+H2                      +2.4200000E+003 +3.0500000E+000 +1.9950000E+003
C6H9OH1O2-5-D2+CH3  =DMTHFOH1D2-4J+CH4                     +2.2100000E+000 +3.5000000E+000 +5.6750000E+003
C6H9OH1O2-5-D2+CH3O =DMTHFOH1D2-4J+CH3OH                   +4.0000000E+001 +2.9000000E+000 +8.6090000E+003
C6H9OH1O2-5-D2+CH3O2=DMTHFOH1D2-4J+CH3O2H                  +2.7000000E+004 +7.0000000E-001 +5.8840000E+003

DMTHFOH1D2-4J<=>DMTHFOH1D2-4+H                          1.89E+12	1.3	3.26E+04   !Tsang 2006 -2kcal

DMTHFOH1D2-4+OH<=>DMTHFOH1D2-4-1J+H2O                   1.02e+04 3.13 2.156E+03
DMTHFOH1D2-4+O2<=>DMTHFOH1D2-4-1J+HO2                   1.25e+13 0.00 35251
DMTHFOH1D2-4+HO2<=>DMTHFOH1D2-4-1J+H2O2                 1.98E+00 3.78E+00 1.2335E+04

DMTHFOH1D2-4-1J+HO2<=>DMTHFOH1D2-4-1OJ+OH               5.00E+12 0.00 0.0
MF25J+HOCHO<=>DMTHFOH1D2-4-1OJ                              4.04E+01 3.12 -4190.31

MF25J<=>P13DE1O4J                                               1.023E+14 0.0 2.69E+04
P13DE1O4J<=>C3H4-P+HCCO                                         3.48E+12 0.85 3.13E+04


C6H11OH1O2-5+O2=C6H10OH1O2-5-6J+HO2                             2.00E+13   0.0     44200 !2MTHF Fenard 2017 x2 sym
C6H11OH1O2-5+O=C6H10OH1O2-5-6J+OH                               1.02E+09   1.50	   6916 !De Bruycker, 2MTHF, Evans-Polanyi x2 sym
C6H11OH1O2-5+H=C6H10OH1O2-5-6J+H2                               1.28E+04   3.064   6.574 !Simmie 2012 6H
C6H11OH1O2-5+OH=C6H10OH1O2-5-6J+H2O                             7.20E+06   2.00	   1724 !De Bruycker, 2MTHF,	Evans-Polanyi x2 sym
C6H11OH1O2-5+HO2=C6H10OH1O2-5-6J+H2O2                           3.32E+02   3.47    17080 !Chakravarty 2013 TST with Exact Solution for Torsional Motions x2 sym
C6H11OH1O2-5+CH3=C6H10OH1O2-5-6J+CH4                            5.84E+03   2.886   14944 !Simmie 2012 6H
C6H11OH1O2-5+CH3O=C6H10OH1O2-5-6J+CH3OH			                4.36E+11   0.00	   4500 !De Bruycker, 2MTHF, Evans-Polanyi x2 sym
C6H11OH1O2-5+CH3O2=C6H10OH1O2-5-6J+CH3O2H                       3.1386E+01   3.97    18280 !isooctane 2017

HOCH2CHO+C4H71-4<=>C6H10OH1O2-5-6J                              +3.33000000E+010 +0.00000000E+000 +6.39700000E+003 !\Author: SD !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 

C6H11OH1O2-5+O2=C6H10OH1O2-5-3J+HO2                             6.00E+13   0.0   52290 !2MTHF Fenard 2017 x2 sym
C6H11OH1O2-5+O=C6H10OH1O2-5-3J+OH                               6.80E+08	1.50	 4173 !De Bruycker, 2MTHF, Evans-Polanyi x2 sym
C6H11OH1O2-5+H=C6H10OH1O2-5-3J+H2                               3.38E+03   3.005   3.906 !Simmie 2012 4H
C6H11OH1O2-5+OH=C6H10OH1O2-5-3J+H2O                             4.80E+06	2.00	-654  !De Bruycker, 2MTHF,	Evans-Polanyi x2 sym
C6H11OH1O2-5+HO2=C6H10OH1O2-5-3J+H2O2                           2.36E+00   3.72    12160 !Chakravarty 2013 TST with Exact Solution for Torsional Motions x2 sym
C6H11OH1O2-5+CH3=C6H10OH1O2-5-3J+CH4                            4.32E+03   2.887   12421 !Simmie 2012 4H
C6H11OH1O2-5+CH3O=C6H10OH1O2-5-3J+CH3OH			                2.90E+11	0.00 	 4500 !De Bruycker, 2MTHF, Evans-Polanyi x2 sym
C6H11OH1O2-5+CH3O2=C6H10OH1O2-5-3J+CH3O2H                       1.018E+01  3.58    14180 !

C6H10OH1O2-5-3J=CH3CHO+C4H64,2-1OH                              +1.33000000E+021 -2.30000000E+000 +2.50840000E+004 !C5H91-4O=C3H5-A+CH3CHO\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

C6H11OH1O2-5+O2=C6H10OH1O2-5-4J+HO2                             6.00E+13   0.0   52290 !2MTHF Fenard 2017 x2 sym
C6H11OH1O2-5+O=C6H10OH1O2-5-4J+OH                               6.80E+08	1.50	 4173 !De Bruycker, 2MTHF, Evans-Polanyi x2 sym
C6H11OH1O2-5+H=C6H10OH1O2-5-4J+H2                               3.38E+03   3.005   3.906 !Simmie 2012 4H
C6H11OH1O2-5+OH=C6H10OH1O2-5-4J+H2O                             4.80E+06	2.00	-654  !De Bruycker, 2MTHF,	Evans-Polanyi x2 sym
C6H11OH1O2-5+HO2=C6H10OH1O2-5-4J+H2O2                           2.36E+00   3.72    12160 !Chakravarty 2013 TST with Exact Solution for Torsional Motions x2 sym
C6H11OH1O2-5+CH3=C6H10OH1O2-5-4J+CH4                            4.32E+03   2.887   12421 !Simmie 2012 4H
C6H11OH1O2-5+CH3O=C6H10OH1O2-5-4J+CH3OH			                2.90E+11	0.00 	 4500 !De Bruycker, 2MTHF, Evans-Polanyi x2 sym
C6H11OH1O2-5+CH3O2=C6H10OH1O2-5-4J+CH3O2H                       1.018E+01  3.58    14180 !

C6H10OH1O2-5-4J=HOCH2CHO+C4H71-3                                +1.33000000E+021 -2.30000000E+000 +2.50840000E+004 !C5H91-4O=C3H5-A+CH3CHO\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!
C6H11OH1O2-6+OH=>H2O+HOCH2CO+C2H4+C2H4            +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C6H11OH2O1-2+OH=>H2O+NC3H7+CH2COHCHO              +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C6H11OH2O1-3+OH=>H2O+NC3H7CO+C2H3OH               +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C6H11OH2O1-4+OH=>H2O+C2H5COCH2+C2H3OH             +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 



C6H11OH1O1-2+HO2=>H2O2+C2H4+CO2+NC3H7             +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C6H11OH1O2-3+HO2=>H2O2+C2H3OH+CO+NC3H7            +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C6H11OH1O2-4+HO2=>H2O2+C2H5CO+C3H5OH              +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C6H11OH1O2-4+HO2=>H2O2+HOCH2CO+C4H8-1             +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!DONG 0812!C6H11OH1O2-5+HO2=>H2O2+CH3COCH2+C3H5OH            +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!DONG 0812!C6H11OH1O2-5+HO2=>H2O2+HOCH2COCH2+C3H6            +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 

C6H11OH1O3-5+HO2=>H2O2+CH3CO+C4H71-4OH            +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING  
C6H11OH1O3-6+HO2=>H2O2+C2H4+CH2CO+SC2H4OH         +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING  
C6H11OH1O4-6+HO2=>H2O2+C2H4+CO+C3H6OH1-3          +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING  

C6H11OH1O2-6+HO2=>H2O2+HOCH2CO+C2H4+C2H4          +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C6H11OH2O1-2+HO2=>H2O2+NC3H7+CH2COHCHO            +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C6H11OH2O1-3+HO2=>H2O2+NC3H7CO+C2H3OH             +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C6H11OH2O1-4+HO2=>H2O2+C2H5COCH2+C2H3OH           +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C6H11OH2O3-6+HO2=>H2O2+C2H4+CH2CO+SC2H4OH         +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 

!
!DONG 0618
!DONG 0618!HOCH2COCH2<=>CH2CO+CH2OH                          +5.88000000E+016 -8.30000000E-001 +4.24400000E+004 !\Author: SD !\Ref:  Zador and Miller, Proceedings of the Combustion Institute 35 (2015) 181-188 !\Comment: CH3COCH2=CH2CO+CH3 

!DONG 0227!HOCH2COCH2+O2<=>HOCH2COCH2O2                      +6.10000000E+050 -1.22000000E+001 +1.56300000E+004 !10 ATM *2.0 FOR SECONDARY, CH2CHO+O2<=>O2CH2CHO \Author: SD !\Ref: J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107(19), 3778-3791 !\Comment: WARNING 
!DONG 0227!HOCH2COCH2O2+HO2<=>HOCH2COCH2O2H+O2               +1.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WESTBROOK ESTIMATE !\Comment: WARNING  
!DONG 0227!HOCH2COCH2O2H<=>HOCH2COCH2O+OH                    +1.03000000E+031 -4.76000000E+000 +4.79219000E+004 !\Author: SD !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: C3KET21<=>CH3COCH2O+OH    
!DONG 0227!HOCH2COCH2+CH3O2<=>HOCH2COCH2O+CH3O               +1.20500000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WJP !\Comment: CH3COCH2+CH3O2<=>CH3COCH2O+CH3O 
!DONG 0227!HOCH2COCH2+HO2<=>HOCH2COCH2O+OH                   +8.05000000E+017 -1.50300000E+000 +4.82000000E+003 !\Author: SD !\Ref: FROM C3H5-A+HO2=C3H5O+OH ! !KUKKADAPU1@LLNL.GOV !\Comment: WARNING 
!DONG 0227!HOCH2COCH2+HO2<=>HOCH2COCH2O2H                    +1.82000000E+040 -8.90600000E+000 +8.12000000E+003 !\Author: SD !\Ref: FROM C3H5-A+HO2, 10 ATM RATE KUKKADAPU1.LLNL.GOV !\Comment: WARNING 
!DONG 0227!HOCH2COCH2O<=>HOCH2CO+CH2O                        +5.73000000E+013 -2.47000000E-002 +4.47348000E+003 !CH3COCH2O<=>CH3CO+CH2O \Author: SD !\Ref: C. FRANKLIN GOLDSMITH, W.H. GREEN, S.J. KLIPPENSTEIN, J. PHYS. CHEM. A. 116, 2012, 3325-3346 !\Comment: WARNING 
!
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: OHQOOH+O2
!___________________________________________________________________________________________________________ 
!
!DONG 0605!C6H11OH1Q2-3+O2<=>C6H11OH1Q2-3O2                  +8.71500000E+013 -8.16000000E-001 -5.36500000E+002 !*0.5 \Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0605!C6H11OH1Q2-4+O2<=>C6H11OH1Q2-4O2                  +8.71500000E+013 -8.16000000E-001 -5.36500000E+002 !*0.5 \Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0605!C6H11OH1Q2-5+O2<=>C6H11OH1Q2-5O2                  +8.71500000E+013 -8.16000000E-001 -5.36500000E+002 !*0.5 \Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0605!C6H11OH2Q1-3+O2<=>C6H11OH2Q1-3O2                  +8.71500000E+013 -8.16000000E-001 -5.36500000E+002 !*0.5 \Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0605!C6H11OH2Q1-4+O2<=>C6H11OH2Q1-4O2                  +8.71500000E+013 -8.16000000E-001 -5.36500000E+002 !*0.5 \Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11OH1Q2-3+O2<=>C6H11OH1Q2-3O2                  +1.74300000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11OH1Q2-4+O2<=>C6H11OH1Q2-4O2                  +1.74300000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11OH1Q2-5+O2<=>C6H11OH1Q2-5O2                  +1.74300000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11OH2Q1-3+O2<=>C6H11OH2Q1-3O2                  +1.74300000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11OH2Q1-4+O2<=>C6H11OH2Q1-4O2                  +1.74300000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!
C6H11OH1Q2-3O2<=>C6H103OH1Q2+HO2                  +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11OH1Q2-4O2<=>C6H103OH1Q2+HO2                  +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11OH1Q2-4O2<=>C6H104OH1Q2+HO2                  +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11OH1Q2-5O2<=>C6H104OH1Q2+HO2                  +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11OH1Q2-5O2<=>C6H105OH1Q2+HO2                  +3.60600000E+009 +1.13000000E+000 +3.06000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0903!C6H11OH2Q1-3O2<=>C6H102OH2Q1+HO2                  +6.12000000E+014 -4.70000000E-001 +3.45160000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C6H11OH2Q1-3O2<=>C6H103OH2Q1+HO2                  +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11OH2Q1-4O2<=>C6H103OH2Q1+HO2                  +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11OH2Q1-4O2<=>C6H104OH2Q1+HO2                  +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

C6H103OH1Q2+OH<=>C6H94OH1Q2-3+H2O                 +2.02000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: SD !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: C5H10-1+OH<=>C5H91-3+H2O 
C6H103OH1Q2+HO2<=>C6H94OH1Q2-3+H2O2               +7.82000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: C5H10-1+HO2<=>C5H91-3+H2O2 
C6H94OH1Q2-3+HO2<=>C6H94OH1-2,3OOH                +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: C5H91-3+HO2<=>C5H91-3OOH 
C6H94OH1-2,3OOH<=>C6H94OH1Q2-3O+OH                +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: C5H91-3OOH<=>C5H9O1-3+OH
C6H94OH1Q2-3O=>HOCH2CHO+SC3H5CHO+OH               +5.51000000E+022 -2.76000000E+000 +1.39800000E+004 !\Author: WARNING !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: C5H9O1-3<=>C2H3CHO+C2H5

C6H104OH1Q2+OH<=>C6H94OH1Q2-3+H2O                 +2.02000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: SD !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: C5H10-1+OH<=>C5H91-3+H2O 
C6H104OH1Q2+HO2<=>C6H94OH1Q2-3+H2O2               +7.82000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: C5H10-1+HO2<=>C5H91-3+H2O2 

C6H105OH1Q2+OH<=>C6H95OH1Q2-4+H2O                 +2.02000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: SD !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: C5H10-1+OH<=>C5H91-3+H2O 
C6H105OH1Q2+HO2<=>C6H95OH1Q2-4+H2O2               +7.82000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: C5H10-1+HO2<=>C5H91-3+H2O2 
C6H95OH1Q2-4+HO2<=>C6H95OH1-2,4OOH                +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: C5H91-3+HO2<=>C5H91-3OOH 
C6H95OH1-2,4OOH<=>C6H95OH1Q2-4O+OH                +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: C5H91-3OOH<=>C5H9O1-3+OH
C6H95OH1Q2-4O<=>QC3H5OHP+C2H3CHO                  +5.51000000E+022 -2.76000000E+000 +1.39800000E+004 !\Author: WARNING !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: C5H9O1-3<=>C2H3CHO+C2H5

!DONG 0903!C6H102OH2Q1<=>C6H102OH2-1O+OH                     +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: C5H92-1OOH<=>C5H9O2-1+OH 
!DONG 0903!C6H102OH2-1O<=>PC5H8OH-1+CH2O                     +8.52000000E+025 -3.61000000E+000 +2.78634000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325-3346 !\Comment: C5H9O2-1<=>CH2O+C4H71-1
!DONG 0903!PC5H8OH-1+O2<=>NC3H7CHCO+HO2                      +5.26000000E+017 -1.63800000E+000 +8.69000000E+002 !\Author: WARNING !\Ref: ANALOGY WITH SC2H4OH REACTIONS !\Comment: PC3H4OH-1+O2<=>CH3CHCO+HO2
!DONG 0903!NC3H7CHCO+OH=>H2O+C3H6+HCCO                        3.00E+12    0.000       0 

C6H103OH2Q1+OH<=>C6H94OH2Q1-3+H2O                 +2.02000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: SD !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: C5H10-1+OH<=>C5H91-3+H2O 
C6H103OH2Q1+HO2<=>C6H94OH2Q1-3+H2O2               +7.82000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: C5H10-1+HO2<=>C5H91-3+H2O2 
C6H94OH2Q1-3+HO2<=>C6H94OH2-1,3OOH                +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: C5H91-3+HO2<=>C5H91-3OOH 
C6H94OH2-1,3OOH<=>C6H94OH2Q1-3O+OH                +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: C5H91-3OOH<=>C5H9O1-3+OH
C6H94OH2Q1-3O<=>CH2OCH2O2H+SC3H5CHO                +5.51000000E+022 -2.76000000E+000 +1.39800000E+004 !\Author: WARNING !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: C5H9O1-3<=>C2H3CHO+C2H5
!DONG 220419, DUP!HO2CHOH<=>C2H3OH+HO2                              +2.37000000E+026 -4.37000000E+000 +3.48400000E+004 !\Author: SD !\Ref: S.J. KLIPPENSTEIN, PROC. COMBUST. INST. 36(2017) 77-111 !\Comment: C2H5O2<=>C2H4+HO2 

C6H104OH2Q1+OH<=>C6H94OH2Q1-3+H2O                 +2.02000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: SD !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: C5H10-1+OH<=>C5H91-3+H2O 
C6H104OH2Q1+HO2<=>C6H94OH2Q1-3+H2O2               +7.82000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: C5H10-1+HO2<=>C5H91-3+H2O2 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: O2QOOH DECOMPOSITIONS
!___________________________________________________________________________________________________________ 
C6H11OH1Q2-3O2<=>C6H10OH1KET2-3+OH                +1.74800000E+008 +1.70000000E+000 +2.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11OH1Q2-4O2<=>C6H10OH1KET2-4+OH                +1.75400000E+002 +3.10000000E+000 +1.75000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11OH1Q2-5O2<=>C6H10OH1KET2-5+OH                +2.53600000E+002 +2.60000000E+000 +1.62000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11OH2Q1-3O2<=>C6H10OH2KET1-3+OH                +1.09800000E+004 +2.40000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11OH2Q1-4O2<=>C6H10OH2KET1-4+OH                +1.25600000E+003 +2.20000000E+000 +1.74000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10OH1KET2-3=>NC3H7CHO+OH+CO+CH2OH              +5.25000000E+015 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10OH1KET2-4=>C2H5CHO+OH+HOCH2COCH2             +5.25000000E+015 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10OH1KET2-5=>CH3CHO+OH+C2H4+CO+CH2OH           +5.25000000E+015 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10OH2KET1-3=>HOCHCHO+NC3H7CHO+OH               +5.25000000E+015 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10OH2KET1-4=>HCO+C2H3OH+C2H5CHO+OH             +5.25000000E+015 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!
!DONG 0605
!DONG 0605!C6H111-3=C2H5+C4H6                                +3.32412168E+026 -3.80442204E+000 +4.44978973E+004 !\Author: SD !\Ref: ANALOGY FROM C5H91-3, A/10, EA-3KCAL/MOLE !\Comment: WARNING 
!DONG 0605!PLOG /                           +1.00000000E-002 +1.19785116E+069 -1.75086009E+001 +5.72034408E+004 /
!DONG 0605!PLOG /                           +1.00000000E-001 +1.05806977E+064 -1.56256154E+001 +5.73772419E+004 /
!DONG 0605!PLOG /                           +1.00000000E+000 +7.97696504E+054 -1.25952424E+001 +5.53744948E+004 /
!DONG 0605!PLOG /                           +1.00000000E+001 +4.67282037E+042 -8.72898395E+000 +5.13044152E+004 /
!DONG 0605!PLOG /                           +1.00000000E+002 +3.32412168E+026 -3.80442204E+000 +4.44978973E+004 /
!DONG 0906!C6H111-3=C2H5+C4H6                                +3.32412168E+027 -3.80442204E+000 +4.44978973E+004 !\Author: SD !\Ref: ANALOGY FROM C5H91-3, EA-3KCAL !\Comment: WARNING 
!DONG 0906!PLOG /                           +1.00000000E-002 +1.19785116E+070 -1.75086009E+001 +5.72034408E+004 /
!DONG 0906!PLOG /                           +1.00000000E-001 +1.05806977E+065 -1.56256154E+001 +5.73772419E+004 /
!DONG 0906!PLOG /                           +1.00000000E+000 +7.97696504E+055 -1.25952424E+001 +5.53744948E+004 /
!DONG 0906!PLOG /                           +1.00000000E+001 +4.67282037E+043 -8.72898395E+000 +5.13044152E+004 /
!DONG 0906!PLOG /                           +1.00000000E+002 +3.32412168E+027 -3.80442204E+000 +4.44978973E+004 /
C6H111-3=C2H5+C4H61-3                                +1.66206084E+027 -3.80442204E+000 +4.44978973E+004 !*0.5 \Author: SD !\Ref:  ANALOGY FROM C5H91-3, A/2.0, EA-3KCAL !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.98925580E+069 -1.75086009E+001 +5.72034408E+004 /
PLOG /                           +1.00000000E-001 +5.29034885E+064 -1.56256154E+001 +5.73772419E+004 /
PLOG /                           +1.00000000E+000 +3.98848252E+055 -1.25952424E+001 +5.53744948E+004 /
PLOG /                           +1.00000000E+001 +2.33641019E+043 -8.72898395E+000 +5.13044152E+004 /
PLOG /                           +1.00000000E+002 +1.66206084E+027 -3.80442204E+000 +4.44978973E+004 /

!DONG 0616!C6H111-3(+M)<=>C2H5+C4H6(+M)                 3.39E+11  0.66  32262.9         !08/TSAwip JetSurF 2.0                                                                 
!DONG 0616!LOW  / 4.00E-42  18.05  -602.6 /
!DONG 0616!TROE / -18.50  246  28  50000.0 /
!DONG 0616!H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/

!
!DONG 0923!C6H111-4<=>C5H8D14+CH3                            +2.47138127E+012 +3.97614611E-001 +3.18326997E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!PLOG /                           +1.00000000E-002 +3.89712957E+061 -1.53913734E+001 +4.70601447E+004 /
!DONG 0923!PLOG /                           +1.00000000E-001 +6.38734649E+051 -1.20546637E+001 +4.51821730E+004 /
!DONG 0923!PLOG /                           +1.00000000E+000 +1.68861971E+039 -7.97247195E+000 +4.16215516E+004 /
!DONG 0923!PLOG /                           +1.00000000E+001 +4.64773495E+028 -4.61687324E+000 +3.82008820E+004 /
!DONG 0923!PLOG /                           +1.00000000E+002 +1.51634241E+019 -1.67385143E+000 +3.46363988E+004 /
!DONG 0923!PLOG /                           +1.00000000E+003 +2.47138127E+012 +3.97614611E-001 +3.18326997E+004 /
!DONG 0923, A*2.0 FOR C5H8D14
C6H111-4<=>C5H8D14+CH3                            +4.94276254E+012 +3.97614611E-001 +3.18326997E+004 !\Author: SD !\Ref: WARNING !\Comment: C5H11-3<=>C4H8-1+CH3 
PLOG /                           +1.00000000E-002 +7.79425914E+061 -1.53913734E+001 +4.70601447E+004 /
PLOG /                           +1.00000000E-001 +1.27746930E+052 -1.20546637E+001 +4.51821730E+004 /
PLOG /                           +1.00000000E+000 +3.37723942E+039 -7.97247195E+000 +4.16215516E+004 /
PLOG /                           +1.00000000E+001 +9.29546990E+028 -4.61687324E+000 +3.82008820E+004 /
PLOG /                           +1.00000000E+002 +3.03268482E+019 -1.67385143E+000 +3.46363988E+004 /
PLOG /                           +1.00000000E+003 +4.94276254E+012 +3.97614611E-001 +3.18326997E+004 /

C6H111-4<=>C2H3+C4H8-1                            +7.42302529E+024 -3.29557835E+000 +4.44900626E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.64508392E+063 -1.60316372E+001 +5.37906232E+004 /
PLOG /                           +1.00000000E-001 +1.22171917E+067 -1.66570525E+001 +5.89415496E+004 /
PLOG /                           +1.00000000E+000 +4.30574186E+055 -1.28337456E+001 +5.63677544E+004 /
PLOG /                           +1.00000000E+001 +1.36789941E+038 -7.37693794E+000 +4.98875091E+004 /
PLOG /                           +1.00000000E+002 +7.42302529E+024 -3.29557835E+000 +4.44900626E+004 /
C6H111-4<=>C6H10D13+H                             +2.28419787E+020 -2.21376206E+000 +3.94372469E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.21296720E+060 -1.53083205E+001 +5.04970509E+004 /
PLOG /                           +1.00000000E-001 +5.20168111E+061 -1.52053706E+001 +5.42964392E+004 /
PLOG /                           +1.00000000E+000 +2.84492457E+049 -1.11998148E+001 +5.10556578E+004 /
PLOG /                           +1.00000000E+001 +4.05349113E+031 -5.68568965E+000 +4.40375054E+004 /
PLOG /                           +1.00000000E+002 +2.28419787E+020 -2.21376206E+000 +3.94372469E+004 /

C3H5-A+C3H6=C6H111-5                                  1.56E+03	2.53E+00	1.16E+04!!\Author: WARNING !\Ref: Kunwang !\Comment: WARNING 
!DONG 0710!C3H5-A+C3H6=C6H111-5                                   2.00E+11    0.000   16900 
!DONG 0621!C6H111-5<=>C3H6+C3H5-A                            +5.84471112E+027 -4.35938015E+000 +3.00721367E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0621!PLOG /                           +1.00000000E-001 +2.63871242E+046 -1.09030189E+001 +3.23177845E+004 /
!DONG 0621!PLOG /                           +1.00000000E+000 +4.54113375E+045 -1.02757702E+001 +3.43068904E+004 /
!DONG 0621!PLOG /                           +1.00000000E+001 +1.06135578E+038 -7.64713598E+000 +3.31758902E+004 /
!DONG 0621!PLOG /                           +1.00000000E+002 +5.84471112E+027 -4.35938015E+000 +3.00721367E+004 /

C6H111-6<=>C4H71-4+C2H4                           +2.85593298E+014 -2.04660703E-001 +3.15374630E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.47670520E+057 -1.44536836E+001 +4.30293257E+004 /
PLOG /                           +1.00000000E-001 +3.57206371E+053 -1.27306872E+001 +4.37808166E+004 /
PLOG /                           +1.00000000E+000 +6.76582804E+042 -9.12438246E+000 +4.14390064E+004 /
PLOG /                           +1.00000000E+001 +3.24492322E+031 -5.48902164E+000 +3.80053215E+004 /
PLOG /                           +1.00000000E+002 +2.52595100E+022 -2.63559309E+000 +3.47771982E+004 /
PLOG /                           +1.00000000E+003 +2.85593298E+014 -2.04660703E-001 +3.15374630E+004 /
CH3+C5H81-3=C6H112-4                              +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!DONG 0718
!DONG 0718!C3H5-T+C3H6=C6H112-5                              +6.30000000E+011 +0.00000000E+000 +3.10000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H5-S+C3H6=C6H112-5                              +6.30000000E+011 +0.00000000E+000 +3.10000000E+003 !\Author: SD !\Ref: WARNING !\Comment: WARNING 

C4H71-3+C2H4=C6H112-6                             +2.00000000E+011 +0.00000000E+000 +1.69000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H71-1+C2H4=C6H113-1                             +6.30000000E+011 +0.00000000E+000 +3.10000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H111-3+HO2<=>C6H11-1D3OOH                       +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.91000000E+031 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +6.31000000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +1.03000000E+045 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +2.79000000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 /
C6H111-3+HO2<=>C6H11-1D3O+OH                      +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
C6H11-1D3OOH<=>C6H11-1D3O+OH                      +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C6H111-3+HO2<=>C6H11-2D1OOH                       +7.20000000E+031 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +9.55000000E+030 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +3.15500000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +5.15000000E+044 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +1.39500000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +7.20000000E+031 -6.01000000E+000 +6.05360000E+003 /
C6H111-3+HO2<=>C6H11-2D1O+OH                      +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.10000000E+012 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +2.49000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +3.88500000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +1.46500000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 /
C6H11-2D1OOH<=>C6H11-2D1O+OH                      +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C6H112-4+HO2=C6H11-2D4O+OH                        +2.41000000E+017 -1.22800000E+000 +7.79800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +3.99000000E+009 +7.83000000E-001 -2.33000000E+003 /
PLOG /                           +1.00000000E+000 +5.05000000E+012 -8.70000000E-002 -1.10000000E+001 /
PLOG /                           +1.00000000E+001 +8.05000000E+017 -1.50300000E+000 +4.82400000E+003 /
PLOG /                           +1.00000000E+002 +2.41000000E+017 -1.22800000E+000 +7.79800000E+003 /
C6H112-4+HO2=C6H11-3D2O+OH                        +2.41000000E+017 -1.22800000E+000 +7.79800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +3.99000000E+009 +7.83000000E-001 -2.33000000E+003 /
PLOG /                           +1.00000000E+000 +5.05000000E+012 -8.70000000E-002 -1.10000000E+001 /
PLOG /                           +1.00000000E+001 +8.05000000E+017 -1.50300000E+000 +4.82400000E+003 /
PLOG /                           +1.00000000E+002 +2.41000000E+017 -1.22800000E+000 +7.79800000E+003 /
C6H112-4+HO2=C6H11-2D4OOH                         +1.95000000E+034 -6.79500000E+000 +7.65400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +3.05000000E+017 -3.06200000E+000 -6.39400000E+003 /
PLOG /                           +1.00000000E+000 +1.65000000E+035 -7.87200000E+000 +3.12300000E+003 /
PLOG /                           +1.00000000E+001 +1.82000000E+040 -8.90600000E+000 +8.11800000E+003 /
PLOG /                           +1.00000000E+002 +1.95000000E+034 -6.79500000E+000 +7.65400000E+003 /
C6H112-4+HO2=C6H11-3D2OOH                         +1.95000000E+034 -6.79500000E+000 +7.65400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +3.05000000E+017 -3.06200000E+000 -6.39400000E+003 /
PLOG /                           +1.00000000E+000 +1.65000000E+035 -7.87200000E+000 +3.12300000E+003 /
PLOG /                           +1.00000000E+001 +1.82000000E+040 -8.90600000E+000 +8.11800000E+003 /
PLOG /                           +1.00000000E+002 +1.95000000E+034 -6.79500000E+000 +7.65400000E+003 /
C6H11-2D4OOH=C6H11-2D4O+OH                        +6.01000000E+036 -6.49900000E+000 +4.99340000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +5.01000000E+053 -1.22850000E+001 +5.26610000E+004 /
PLOG /                           +1.00000000E+000 +3.02000000E+052 -1.15920000E+001 +5.42560000E+004 /
PLOG /                           +1.00000000E+001 +4.92000000E+046 -9.60800000E+000 +5.34250000E+004 /
PLOG /                           +1.00000000E+002 +6.01000000E+036 -6.49900000E+000 +4.99340000E+004 /
C6H11-3D2OOH=C6H11-3D2O+OH                        +6.01000000E+036 -6.49900000E+000 +4.99340000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +5.01000000E+053 -1.22850000E+001 +5.26610000E+004 /
PLOG /                           +1.00000000E+000 +3.02000000E+052 -1.15920000E+001 +5.42560000E+004 /
PLOG /                           +1.00000000E+001 +4.92000000E+046 -9.60800000E+000 +5.34250000E+004 /
PLOG /                           +1.00000000E+002 +6.01000000E+036 -6.49900000E+000 +4.99340000E+004 /
C6H11-1D3O=C2H3CHO+NC3H7                          +3.92000000E+027 -4.66100000E+000 +1.56430000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +6.06000000E+015 -2.10600000E+000 +8.43600000E+003 /
PLOG /                           +1.00000000E+000 +3.16000000E+016 -2.02600000E+000 +8.58800000E+003 /
PLOG /                           +1.00000000E+001 +2.39000000E+021 -3.17600000E+000 +1.09930000E+004 /
PLOG /                           +1.00000000E+002 +3.92000000E+027 -4.66100000E+000 +1.56430000E+004 /
C6H11-1D3O=NC3H7CHO+C2H3                          +3.92000000E+028 -4.66100000E+000 +2.76430000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +6.06000000E+016 -2.10600000E+000 +2.04360000E+004 /
PLOG /                           +1.00000000E+000 +3.16000000E+017 -2.02600000E+000 +2.05880000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+022 -3.17600000E+000 +2.29930000E+004 /
PLOG /                           +1.00000000E+002 +3.92000000E+028 -4.66100000E+000 +2.76430000E+004 /
C6H11-2D1O=C6D2Y1+H                               +2.62000000E+025 -3.76300000E+000 +2.31650000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +2.14000000E+016 -1.92400000E+000 +1.59690000E+004 /
PLOG /                           +1.00000000E+000 +5.85000000E+017 -2.09100000E+000 +1.67470000E+004 /
PLOG /                           +1.00000000E+001 +2.56000000E+022 -3.17200000E+000 +1.99510000E+004 /
PLOG /                           +1.00000000E+002 +2.62000000E+025 -3.76300000E+000 +2.31650000E+004 /
C6H11-2D1O=C5H91-1+CH2O                           +3.92000000E+028 -4.66100000E+000 +2.76430000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +6.06000000E+016 -2.10600000E+000 +2.04360000E+004 /
PLOG /                           +1.00000000E+000 +3.16000000E+017 -2.02600000E+000 +2.05880000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+022 -3.17600000E+000 +2.29930000E+004 /
PLOG /                           +1.00000000E+002 +3.92000000E+028 -4.66100000E+000 +2.76430000E+004 /
C6H11-2D4O=SC3H5CHO+C2H5                          +3.92000000E+027 -4.66100000E+000 +1.56430000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +6.06000000E+015 -2.10600000E+000 +8.43600000E+003 /
PLOG /                           +1.00000000E+000 +3.16000000E+016 -2.02600000E+000 +8.58800000E+003 /
PLOG /                           +1.00000000E+001 +2.39000000E+021 -3.17600000E+000 +1.09930000E+004 /
PLOG /                           +1.00000000E+002 +3.92000000E+027 -4.66100000E+000 +1.56430000E+004 /
C6H11-2D4O=C3H5-S+C2H5CHO                         +3.92000000E+028 -4.66100000E+000 +2.76430000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +6.06000000E+016 -2.10600000E+000 +2.04360000E+004 /
PLOG /                           +1.00000000E+000 +3.16000000E+017 -2.02600000E+000 +2.05880000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+022 -3.17600000E+000 +2.29930000E+004 /
PLOG /                           +1.00000000E+002 +3.92000000E+028 -4.66100000E+000 +2.76430000E+004 /
C6H11-3D2O=C4H7CHO-2+CH3                          +3.92000000E+027 -4.66100000E+000 +1.56430000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +6.06000000E+015 -2.10600000E+000 +8.43600000E+003 /
PLOG /                           +1.00000000E+000 +3.16000000E+016 -2.02600000E+000 +8.58800000E+003 /
PLOG /                           +1.00000000E+001 +2.39000000E+021 -3.17600000E+000 +1.09930000E+004 /
PLOG /                           +1.00000000E+002 +3.92000000E+027 -4.66100000E+000 +1.56430000E+004 /
C6H11-3D2O=C4H71-1+CH3CHO                         +3.92000000E+028 -4.66100000E+000 +2.76430000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +6.06000000E+016 -2.10600000E+000 +2.04360000E+004 /
PLOG /                           +1.00000000E+000 +3.16000000E+017 -2.02600000E+000 +2.05880000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+022 -3.17600000E+000 +2.29930000E+004 /
PLOG /                           +1.00000000E+002 +3.92000000E+028 -4.66100000E+000 +2.76430000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: VINYLREACTIONPATHWAYSR+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C6H111-1+O2<=>HCO+PC4H9CHO                        +1.32000000E+021 -2.49000000E+000 +8.43900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.03000000E+018 -1.90000000E+000 +2.18700000E+003 /
PLOG /                           +1.00000000E-001 +3.05000000E+018 -1.90000000E+000 +2.18600000E+003 /
PLOG /                           +1.00000000E+000 +1.50000000E+019 -2.10000000E+000 +2.71200000E+003 /
PLOG /                           +1.00000000E+001 +1.49000000E+022 -2.90000000E+000 +5.75200000E+003 /
PLOG /                           +1.00000000E+002 +1.32000000E+021 -2.49000000E+000 +8.43900000E+003 /
C6H111-1+O2=>H+CO+PC4H9CHO                        +3.08000000E+021 -2.49000000E+000 +8.43900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +7.06000000E+018 -1.90000000E+000 +2.18700000E+003 /
PLOG /                           +1.00000000E-001 +7.11000000E+018 -1.90000000E+000 +2.18600000E+003 /
PLOG /                           +1.00000000E+000 +3.50000000E+019 -2.10000000E+000 +2.71200000E+003 /
PLOG /                           +1.00000000E+001 +3.47000000E+022 -2.90000000E+000 +5.75200000E+003 /
PLOG /                           +1.00000000E+002 +3.08000000E+021 -2.49000000E+000 +8.43900000E+003 /
C6H111-1+O2<=>NC5H10CHO-1+O                       +9.28000000E+025 -3.80000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +7.16000000E+020 -2.67000000E+000 +6.74200000E+003 /
PLOG /                           +1.00000000E-002 +1.24000000E+010 +6.20000000E-001 -2.77600000E+002 /
PLOG /                           +1.00000000E-001 +7.02000000E+020 -2.67000000E+000 +6.71300000E+003 /
PLOG /                           +1.00000000E-001 +1.29000000E+010 +6.20000000E-001 -2.47700000E+002 /
PLOG /                           +3.16000000E-001 +8.97000000E+020 -2.70000000E+000 +6.72400000E+003 /
PLOG /                           +3.16000000E-001 +1.51000000E+010 +6.00000000E-001 -1.62500000E+002 /
PLOG /                           +1.00000000E+000 +6.45000000E+020 -2.65000000E+000 +6.48900000E+003 /
PLOG /                           +1.00000000E+000 +1.84000000E+010 +5.80000000E-001 +3.84000000E+001 /
PLOG /                           +3.16000000E+000 +4.09000000E+020 -2.53000000E+000 +6.40600000E+003 /
PLOG /                           +3.16000000E+000 +8.86000000E+009 +6.70000000E-001 +2.48000000E+002 /
PLOG /                           +1.00000000E+001 +1.60000000E+023 -3.22000000E+000 +8.69700000E+003 /
PLOG /                           +1.00000000E+001 +6.67000000E+009 +7.20000000E-001 +7.78100000E+002 /
PLOG /                           +3.16000000E+001 +2.85000000E+025 -3.77000000E+000 +1.15300000E+004 /
PLOG /                           +3.16000000E+001 +1.43000000E+009 +9.20000000E-001 +1.21900000E+003 /
PLOG /                           +1.00000000E+002 +9.28000000E+025 -3.80000000E+000 +1.39100000E+004 /
PLOG /                           +1.00000000E+002 +7.14000000E+007 +1.28000000E+000 +1.40100000E+003 /
C6H111-1+O2<=>C6H111O2-1                          +3.41000000E+039 -8.04000000E+000 +1.43600000E+004 !\Author: SD !\Ref: C. FRANKLIN GOLDSMITH C2H3+O2 J. PHYS. CHEM. A !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.55000000E+024 -5.45000000E+000 +9.66200000E+003 /
PLOG /                           +1.00000000E-002 +1.78000000E-009 +4.15000000E+000 -4.70700000E+003 /
PLOG /                           +1.00000000E-001 +3.48000000E+056 -1.50100000E+001 +1.91600000E+004 /
PLOG /                           +1.00000000E-001 +2.36000000E+022 -4.52000000E+000 +2.83900000E+003 /
PLOG /                           +3.16000000E-001 +1.25000000E+064 -1.69700000E+001 +2.12900000E+004 /
PLOG /                           +3.16000000E-001 +2.00000000E+026 -5.43000000E+000 +2.72500000E+003 /
PLOG /                           +1.00000000E+000 +3.34000000E+061 -1.57900000E+001 +2.01500000E+004 /
PLOG /                           +1.00000000E+000 +6.13000000E+028 -5.89000000E+000 +3.15400000E+003 /
PLOG /                           +3.16000000E+000 +7.34000000E+053 -1.31100000E+001 +1.73000000E+004 /
PLOG /                           +3.16000000E+000 +2.14000000E+029 -5.80000000E+000 +3.52000000E+003 /
PLOG /                           +1.00000000E+001 +4.16000000E+048 -1.12100000E+001 +1.60000000E+004 /
PLOG /                           +1.00000000E+001 +3.48000000E+028 -5.37000000E+000 +3.63600000E+003 /
PLOG /                           +3.16000000E+001 +2.33000000E+043 -9.38000000E+000 +1.48100000E+004 /
PLOG /                           +3.16000000E+001 +3.32000000E+027 -4.95000000E+000 +3.61000000E+003 /
PLOG /                           +1.00000000E+002 +3.41000000E+039 -8.04000000E+000 +1.43600000E+004 /
PLOG /                           +1.00000000E+002 +1.03000000E+027 -4.72000000E+000 +3.68000000E+003 /
C6H111O2-1<=>PC4H9CHO+HCO                         +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.66000000E+174 -5.55200000E+001 +6.03200000E+004 /
PLOG /                           +1.00000000E-002 +2.27000000E+035 -7.97000000E+000 +3.12800000E+004 /
PLOG /                           +1.00000000E-001 +9.03000000E+066 -1.72500000E+001 +4.81200000E+004 /
PLOG /                           +1.00000000E-001 +2.08000000E+026 -4.96000000E+000 +2.87800000E+004 /
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PLOG /                           +3.16000000E-001 +1.45000000E+020 -3.08000000E+000 +2.66300000E+004 /
PLOG /                           +1.00000000E+000 +8.64000000E+033 -6.88000000E+000 +3.43700000E+004 /
PLOG /                           +1.00000000E+000 +1.06000000E+130 -3.93800000E+001 +5.47000000E+004 /
PLOG /                           +3.16000000E+000 +7.29000000E+171 -4.35300000E+001 +1.91900000E+005 /
PLOG /                           +3.16000000E+000 +2.35000000E+034 -6.87000000E+000 +3.57000000E+004 /
PLOG /                           +1.00000000E+001 +1.03000000E+032 -6.06000000E+000 +3.55000000E+004 /
PLOG /                           +1.00000000E+001 +2.18000000E+175 -5.37800000E+001 +6.85000000E+004 /
PLOG /                           +3.16000000E+001 +1.85000000E+034 -6.57000000E+000 +3.85100000E+004 /
PLOG /                           +3.16000000E+001 +1.07000000E+185 -5.42200000E+001 +8.89900000E+004 /
PLOG /                           +1.00000000E+002 +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+002 +4.68000000E+002 +1.81000000E+000 +1.81000000E+004 /
C6H111O2-1=>PC4H9CHO+H+CO                         +1.33000000E+030 -5.19000000E+000 +3.68000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.88000000E+174 -5.55200000E+001 +6.03200000E+004 /
PLOG /                           +1.00000000E-002 +5.29000000E+035 -7.97000000E+000 +3.12800000E+004 /
PLOG /                           +1.00000000E-001 +2.11000000E+067 -1.72500000E+001 +4.81200000E+004 /
PLOG /                           +1.00000000E-001 +4.85000000E+026 -4.96000000E+000 +2.87800000E+004 /
PLOG /                           +3.16000000E-001 +4.26000000E+043 -9.87000000E+000 +3.79600000E+004 /
PLOG /                           +3.16000000E-001 +3.37000000E+020 -3.08000000E+000 +2.66300000E+004 /
PLOG /                           +1.00000000E+000 +2.02000000E+034 -6.88000000E+000 +3.43700000E+004 /
PLOG /                           +1.00000000E+000 +2.46000000E+130 -3.93800000E+001 +5.47000000E+004 /
PLOG /                           +3.16000000E+000 +1.70000000E+172 -4.35300000E+001 +1.91900000E+005 /
PLOG /                           +3.16000000E+000 +5.49000000E+034 -6.87000000E+000 +3.57000000E+004 /
PLOG /                           +1.00000000E+001 +2.40000000E+032 -6.06000000E+000 +3.55000000E+004 /
PLOG /                           +1.00000000E+001 +5.09000000E+175 -5.37800000E+001 +6.85000000E+004 /
PLOG /                           +3.16000000E+001 +4.32000000E+034 -6.57000000E+000 +3.85100000E+004 /
PLOG /                           +3.16000000E+001 +2.49000000E+185 -5.42200000E+001 +8.89900000E+004 /
PLOG /                           +1.00000000E+002 +1.33000000E+030 -5.19000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+002 +1.09000000E+003 +1.81000000E+000 +1.81000000E+004 /
C6H111O2-1<=>NC5H10CHO-1+O                        +4.30000000E+048 -1.03100000E+001 +5.60900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.70000000E+180 -4.81900000E+001 +1.69300000E+005 /
PLOG /                           +1.00000000E-002 +1.47000000E+030 -6.64000000E+000 +4.11100000E+004 /
PLOG /                           +1.00000000E-001 +3.90000000E+038 -8.69000000E+000 +4.27700000E+004 /
PLOG /                           +1.00000000E-001 +9.65000000E-012 +5.96000000E+000 +2.28900000E+004 /
PLOG /                           +3.16000000E-001 +4.57000000E+047 -1.12100000E+001 +4.70500000E+004 /
PLOG /                           +3.16000000E-001 +3.95000000E+022 -3.71000000E+000 +3.62700000E+004 /
PLOG /                           +1.00000000E+000 +7.62000000E+081 -2.12800000E+001 +6.50800000E+004 /
PLOG /                           +1.00000000E+000 +2.39000000E+033 -6.62000000E+000 +4.12800000E+004 /
PLOG /                           +3.16000000E+000 +1.86000000E+068 -1.68300000E+001 +6.06800000E+004 /
PLOG /                           +3.16000000E+000 +6.37000000E+031 -5.96000000E+000 +4.12600000E+004 /
PLOG /                           +1.00000000E+001 +2.02000000E+055 -1.26900000E+001 +5.58400000E+004 /
PLOG /                           +1.00000000E+001 +2.13000000E+029 -5.10000000E+000 +4.07100000E+004 /
PLOG /                           +3.16000000E+001 +1.11000000E+053 -1.17900000E+001 +5.66900000E+004 /
PLOG /                           +3.16000000E+001 +4.66000000E+027 -4.50000000E+000 +4.05300000E+004 /
PLOG /                           +1.00000000E+002 +4.30000000E+048 -1.03100000E+001 +5.60900000E+004 /
PLOG /                           +1.00000000E+002 +5.99000000E+025 -3.85000000E+000 +4.01200000E+004 /
C6H111-2+O2<=>CH2O+PC4H9CO                        +9.27000000E+021 -2.74000000E+000 +9.36400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.13000000E+020 -2.57000000E+000 +2.36600000E+003 /
PLOG /                           +1.00000000E-001 +5.55000000E+020 -2.61000000E+000 +2.45800000E+003 /
PLOG /                           +3.16000000E-001 +2.55000000E+021 -2.79000000E+000 +2.97400000E+003 /
PLOG /                           +1.00000000E+000 +9.03000000E+022 -3.21000000E+000 +4.29600000E+003 /
PLOG /                           +3.16000000E+000 +7.37000000E+024 -3.73000000E+000 +6.25900000E+003 /
PLOG /                           +1.00000000E+001 +1.36000000E+025 -3.76000000E+000 +7.61400000E+003 /
PLOG /                           +3.16000000E+001 +9.70000000E+024 -3.66000000E+000 +9.23200000E+003 /
PLOG /                           +1.00000000E+002 +9.27000000E+021 -2.74000000E+000 +9.36400000E+003 /
C6H111-2+O2<=>C6H111O2-2                          +4.64000000E+030 -5.51000000E+000 +7.33000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.83000000E+031 -7.74000000E+000 +5.06100000E+003 /
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PLOG /                           +3.16000000E-001 +1.97000000E+042 -1.00500000E+001 +7.46300000E+003 /
PLOG /                           +1.00000000E+000 +5.52000000E+042 -9.87000000E+000 +8.63300000E+003 /
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PLOG /                           +1.00000000E+002 +4.64000000E+030 -5.51000000E+000 +7.33000000E+003 /
C6H111O2-2<=>CH2O+PC4H9CO                         +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.66000000E+174 -5.55200000E+001 +6.03200000E+004 /
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PLOG /                           +3.16000000E+001 +1.85000000E+034 -6.57000000E+000 +3.85100000E+004 /
PLOG /                           +3.16000000E+001 +1.07000000E+185 -5.42200000E+001 +8.89900000E+004 /
PLOG /                           +1.00000000E+002 +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+002 +4.68000000E+002 +1.81000000E+000 +1.81000000E+004 /
C6H111-3+O2<=>C6H10D13+HO2                        +3.27600000E-007 +5.42500000E+000 +7.58200000E+003 !\Author: SD !\Ref: DONTGEN, MALTE, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A(2019). !\Comment: WARNING 
C6H111-4+O2<=>C6H10D13+HO2                        +1.00000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: !JET SURF 2.0, ADD 2505 KWZ !\Comment: WARNING 
C6H111-4+O2=C6H10D14+HO2                          +1.07000000E+000 +3.71000000E+000 +9.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H111-5+O2=C6H10D14+HO2                          +1.07000000E+000 +3.71000000E+000 +9.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H111-5+O2=C6H101-5+HO2                          +1.07000000E+000 +3.71000000E+000 +9.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H111-6+O2=C6H101-5+HO2                          +1.07000000E+000 +3.71000000E+000 +9.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H112-4+O2=C6H10D13+HO2                          +1.07000000E+000 +3.71000000E+000 +9.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H112-4+O2<=>C6H10D24+HO2                        +2.00000000E+012 +0.00000000E+000 +5.00000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C6H112-5+O2=C6H10D24+HO2                          +1.07000000E+000 +3.71000000E+000 +7.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H112-5+O2=C6H10D14+HO2                          +1.07000000E+000 +3.71000000E+000 +9.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H112-6+O2=C6H10D14+HO2                          +1.07000000E+000 +3.71000000E+000 +9.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H113-1+O2=C6H10D13+HO2                          +1.07000000E+000 +3.71000000E+000 +7.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D14+OH=C6H9-A+H2O                            +3.12000000E+006 +2.00000000E+000 -2.98000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D14+HO2=C6H9-A+H2O2                          +1.73000000E-001 +4.00000000E+000 +1.21030000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: ALKENYL-PEROXY  REACTION  PATHWAYS  R+O2<=>RO2
!___________________________________________________________________________________________________________ 
C6H111-3+O2<=>C6H111O2-3                          +9.14000000E+002 +2.17900000E+000 -2.20000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H111-3+O2<=>C6H112O2-1                          +4.57000000E+002 +2.17900000E+000 -2.20000000E+003 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C6H111-4+O2<=>C6H111O2-4                          +3.49000000E+014 -8.16000000E-001 -5.37000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H111-5+O2<=>C6H111O2-5                          +3.49000000E+014 -8.16000000E-001 -5.37000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H111-6+O2<=>C6H111O2-6                          +6.87000000E+016 -1.62700000E+000 +1.99000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H112-4+O2<=>C6H113O2-2                          +9.14000000E+002 +2.17900000E+000 -2.20000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H112-4+O2<=>C6H112O2-4                          +9.14000000E+002 +2.17900000E+000 -2.20000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H112-5+O2<=>C6H112O2-5                          +3.49000000E+014 -8.16000000E-001 -5.37000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H112-6+O2<=>C6H112O2-6                          +6.87000000E+016 -1.62700000E+000 +1.99000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H113-1+O2<=>C6H113O2-1                          +6.87000000E+016 -1.62700000E+000 +1.99000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!DONG 0605
C6H111O2-3<=>C6H112OO1-3                           8.510E-012          6.820   18420.0  !\AUTHOR: SD !\REF: Sun, Xiaohui, et al. Physical Chemistry Chemical Physics 21.20 (2019): 10693-10705.
!DONG 0423!C6H111O2-3<=>C6H111OO2-3                           2.510E-006          5.270   18230.0  !\AUTHOR: SD !\REF: Sun, Xiaohui, et al. Physical Chemistry Chemical Physics 21.20 (2019): 10693-10705.
C6H111O2-3<=>C6H111OO2-3                           2.8890E+27	-4.81	3.1835E+04  !REFIT, RATE AT HIGH TEMPERAITRE BELOW 1.0E14 \AUTHOR: SD !\REF: Sun, Xiaohui, et al. Physical Chemistry Chemical Physics 21.20 (2019): 10693-10705.
!

C6H111O2-3=C6H101OOH3-1                           +1.68000000E+006 +1.74000000E+000 +2.81300000E+004 !\Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
C6H111O2-3=C6H101OOH3-4                           +7.76000000E-005 +4.56500000E+000 +2.24000000E+004 !\Author: SD !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
!DONG 0923!C6H111O2-3=C6H101OOH3-5                           +1.16000000E+003 +2.24500000E+000 +1.55000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H111O2-3=C6H101OOH3-5                           +0.58000000E+003 +2.24500000E+000 +1.55000000E+004 !\Author: SD !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
!
C6H111O2-3=C6H101OOH3-6                           +2.97000000E+002 +2.25500000E+000 +1.81000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!C6H111O2-3<=>C6H10D13+HO2                         +5.48000000E+008 +9.86000000E-001 +2.34000000E+004 !*2.0 \Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C6H111O2-3<=>C6H10D13+HO2                         +2.74000000E+008 +9.86000000E-001 +2.34000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
!DONG 0906!C6H111O2-3<=>C6H10D13+HO2                         +1.37000000E+008 +9.86000000E-001 +2.34000000E+004 !*0.5 \Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 

C6H11-1D3OOH+O2<=>C6H111O2-3+HO2                  +9.00000000E+013 +0.00000000E+000 +4.02000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!DONG 0605
C6H111O2-4<=>C6H112OO1-4                           9.160E+000          3.000   10510.0  !\AUTHOR: SD !\REF: Sun, Xiaohui, et al. Physical Chemistry Chemical Physics 21.20 (2019): 10693-10705.
C6H111O2-4<=>C6H111OO2-4                           9.850E-004          4.320   8660.0   !\AUTHOR: SD !\REF: Sun, Xiaohui, et al. Physical Chemistry Chemical Physics 21.20 (2019): 10693-10705.
!

C6H111O2-4<=>C6H101OOH4-1                         +1.18000000E-014 +7.18000000E+000 +4.41500000E+004 !\Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
C6H111O2-4<=>C6H101OOH4-2                         +5.27000000E+005 +1.98000000E+000 +2.47600000E+004 !\Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
C6H111O2-4<=>C6H101OOH4-3                         +9.25000000E-012 +6.63000000E+000 +1.46300000E+004 !\Author: SD !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
C6H111O2-4=C6H101OOH4-5                           +9.56000000E+007 +1.36000000E+000 +2.86000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H111O2-4=C6H101OOH4-6                           +1.43800000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H111O2-4<=>C6H10D13+HO2                         +1.50000000E+007 +1.80000000E+000 +2.53400000E+004 !\Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
C6H111O2-4<=>C6H10D14+HO2                         +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!DONG 0605
C6H111O2-5<=>C6H112OO1-5                           1.180E-001          3.450   10970.0  !\AUTHOR: SD !\REF: Sun, Xiaohui, et al. Physical Chemistry Chemical Physics 21.20 (2019): 10693-10705.
C6H111O2-5<=>C6H111OO2-5                           5.240E-004          4.160   6620.0   !\AUTHOR: SD !\REF: Sun, Xiaohui, et al. Physical Chemistry Chemical Physics 21.20 (2019): 10693-10705.
!

C6H111O2-5<=>C6H101OOH5-2                         +9.96000000E+005 +1.75000000E+000 +2.38300000E+004 !\Author: SD !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
!DONG 0923!C6H111O2-5<=>C6H101OOH5-3                         +2.60000000E-005 +4.83000000E+000 +9.71000000E+003 !\Author: SD !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
C6H111O2-5<=>C6H101OOH5-3                         +1.30000000E-005 +4.83000000E+000 +9.71000000E+003 !\Author: SD !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 

C6H111O2-5=C6H101OOH5-4                           +9.56000000E+007 +1.36000000E+000 +2.86000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H111O2-5=C6H101OOH5-6                           +1.45860000E+009 +1.10000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H111O2-5<=>C6H10D14+HO2                         +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H111O2-5<=>C6H101-5+HO2                         +3.60600000E+009 +1.13000000E+000 +3.06000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

C6H111O2-6=C6H101OOH6-3                           +1.52000000E+004 +2.00500000E+000 +1.21320000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H111O2-6=C6H101OOH6-4                           +9.30000000E+007 +1.11000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H111O2-6=C6H101OOH6-5                           +9.56000000E+007 +1.36000000E+000 +2.86000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H111O2-6<=>C6H101-5+HO2                         +3.87000000E+007 +1.58000000E+000 +2.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

C6H112O2-1<=>C6H112OO1-3                           5.910E-022          9.700   12270.0  !TRANS, 10 FASTER\AUTHOR: SD !\REF: Sun, Xiaohui, et al. Physical Chemistry Chemical Physics 21.20 (2019): 10693-10705.
C6H112O2-1<=>C6H113OO1-2                           6.070E-002          3.950   21430.0  !TRANS, 50 FASTER\AUTHOR: SD !\REF: Sun, Xiaohui, et al. Physical Chemistry Chemical Physics 21.20 (2019): 10693-10705.

!DONG 0605
!C6H112O2-1<=>C6H102OOH1-4                         +1.84000000E-002 +3.50000000E+000 +1.04000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C6H112O2-1<=>C6H103OOH1-2                         +1.84000000E-002 +3.50000000E+000 +1.04000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
!DONG 0618!C6H112O2-1<=>C6H103OOH1-2                         +0.92000000E-002 +3.50000000E+000 +1.04000000E+004 !*0.5 \Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 

!DONG 0616
C6H11-2D1OOH+O2<=>C6H112O2-1+HO2                  +9.00000000E+013 +0.00000000E+000 +4.02000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!

C6H112O2-4=C6H102OOH4-5                           +7.76000000E-005 +4.56500000E+000 +2.24000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H112O2-4=C6H102OOH4-6                           +1.74000000E+003 +2.24500000E+000 +1.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!DONG 0616
C6H11-2D4OOH+O2<=>C6H112O2-4+HO2                  +9.00000000E+013 +0.00000000E+000 +4.02000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!

!

C6H112O2-5<=>C6H113OO2-5                          +8.20000000E+001 +2.64000000E+000 +8.94000000E+003 !\Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: C5H92-5O2<=>C5H93OO2-5
C6H112O2-5<=>C6H112OO3-5                          +2.97000000E-002 +3.86000000E+000 +8.27000000E+003 !\Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: C5H92-5O2<=>C5H92OO3-5
C6H113OO2-5<=>C6H11O2-3O-5                        +1.01000000E+010 +9.61000000E-001 +2.07000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: C5H93OO2-5<=>C5H9O2-3O-5 
C6H112OO3-5<=>C6H11O2-3O-5                        +8.21000000E+010 +4.38000000E-001 +1.29000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: C5H92OO3-5<=>C5H9O2-3O-5
!DONG 0923!C6H112OO3-5<=>C6H11O2-3O-5                        +1.64200000E+010 +4.38000000E-001 +1.29000000E+004 !*0.2, \Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: C5H92OO3-5<=>C5H9O2-3O-5

C6H11O2-3O-5<=>C4H7O23-1+CH3CHO                   +1.57000000E+021 -2.44000000E+000 +1.68400000E+004 !\Author: WARNING !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 ! !\Comment: C5H9O2-3O-5<=>C4H7O23-1+CH2O


!DONG 0616!C6H112O2-5=C6H102OOH5-4                           +1.01000000E-005 +4.56200000E+000 +1.55000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H112O2-5<=>C6H102OOH5-4                         +9.25000000E-012 +6.63000000E+000 +1.46300000E+004 !\Author: SD !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
C6H112O2-5=C6H102OOH5-6                           +6.51000000E+006 +1.73000000E+000 +3.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0824
C6H112O2-5<=>C6H10D24+HO2                         +1.50000000E+007 +1.80000000E+000 +2.53400000E+004 !\Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: C5H91-4O2<=>C5H81-3+HO2 

!DONG 0616
!DONG 0616!C6H112O2-6=C6H102OOH6-4                           +1.12000000E+005 +2.00500000E+000 +1.21320000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H112O2-6=C6H102OOH6-4                           +2.60000000E-005 +4.83000000E+000 +9.71000000E+003 !\Author: SD !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 

C6H112O2-6=C6H102OOH6-5                           +9.56000000E+007 +1.36000000E+000 +2.86000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H113O2-1=C6H103OOH1-2                           +9.82000000E+001 +2.65500000E+000 +1.82270000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

C6H113O2-2=C6H103OOH2-1                           +1.09000000E-004 +4.53900000E+000 +2.44000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!DONG 0616
C6H11-3D2OOH+O2<=>C6H113O2-2+HO2                  +9.00000000E+013 +0.00000000E+000 +4.02000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!

!DONG 0605
!DECOMPOSITIONS OF CYCLOADDITION PRODUCTS
C6H112OO1-3<=>C6H11O1-2O-3                         1.250E+010          0.842   28800.0  !ANALOGY FROM CIS-HEPTENE \AUTHOR: SD !\REF: You, Xiaoqing, et al. The Journal of Physical Chemistry A 120.30 (2016): 5969-5978.
C6H112OO1-3<=>C6H11O2-3O-1                         4.340E+010          0.779   29900.0  !ANALOGY FROM CIS-HEPTENE \AUTHOR: SD !\REF: You, Xiaoqing, et al. The Journal of Physical Chemistry A 120.30 (2016): 5969-5978.
C6H111OO2-3<=>C6H11O1-2O-3                         1.150E+011          0.353   13300.0  !ANALOGY FROM CIS-HEPTENE \AUTHOR: SD !\REF: You, Xiaoqing, et al. The Journal of Physical Chemistry A 120.30 (2016): 5969-5978.
!
C6H112OO1-4<=>C6H11O1-2O-4                         1.010E+010          0.961   20700.0  !ANALOGY FROM CIS-HEPTENE \AUTHOR: SD !\REF: You, Xiaoqing, et al. The Journal of Physical Chemistry A 120.30 (2016): 5969-5978.
C6H111OO2-4<=>C6H11O1-2O-4                         8.210E+010          0.438   12900.0  !ANALOGY FROM CIS-HEPTENE \AUTHOR: SD !\REF: You, Xiaoqing, et al. The Journal of Physical Chemistry A 120.30 (2016): 5969-5978.
!DONG 0906!C6H111OO2-4<=>C6H11O1-2O-4                         4.105E+011          0.438   12900.0  !*5 ANALOGY FROM CIS-HEPTENE \AUTHOR: SD !\REF: You, Xiaoqing, et al. The Journal of Physical Chemistry A 120.30 (2016): 5969-5978.

!
C6H112OO1-5<=>C6H11O1-2O-5                         1.010E+010          0.961   20700.0  !ANALOGY FROM CIS-HEPTENE \AUTHOR: SD !\REF: You, Xiaoqing, et al. The Journal of Physical Chemistry A 120.30 (2016): 5969-5978.
!DONG 0923!C6H111OO2-5<=>C6H11O1-2O-5                         8.210E+010          0.438   12900.0  !ANALOGY FROM CIS-HEPTENE \AUTHOR: SD !\REF: You, Xiaoqing, et al. The Journal of Physical Chemistry A 120.30 (2016): 5969-5978.
C6H111OO2-5<=>C6H11O1-2O-5                         4.105E+011          0.438   12900.0  !*5.0, ANALOGY FROM CIS-HEPTENE \AUTHOR: SD !\REF: You, Xiaoqing, et al. The Journal of Physical Chemistry A 120.30 (2016): 5969-5978.

!
C6H113OO1-2<=>C6H11O2-3O-1                         5.740E+010          0.483   13000.0  !ANALOGY FROM CIS-HEPTENE \AUTHOR: SD !\REF: You, Xiaoqing, et al. The Journal of Physical Chemistry A 120.30 (2016): 5969-5978.
!
!DECOMPOSITIONS OF CYCLIC ETHER OXIDE
!
C6H11O1-2O-3<=>C2H3O1-2+NC3H7CHO                   3.270E+009          0.586   9200.0   !ANALOGY FROM CIS-HEPTENE \AUTHOR: SD !\REF: You, Xiaoqing, et al. The Journal of Physical Chemistry A 120.30 (2016): 5969-5978.
C6H11O1-2O-4<=>CH2CHOCH2+C2H5CHO                   4.610E+009          1.213   9900.0   !ANALOGY FROM CIS-HEPTENE \AUTHOR: SD !\REF: You, Xiaoqing, et al. The Journal of Physical Chemistry A 120.30 (2016): 5969-5978.
C6H11O1-2O-5<=>C4H7O12-4+CH3CHO                    4.610E+009          1.213   9900.0   !ANALOGY FROM CIS-HEPTENE \AUTHOR: SD !\REF: You, Xiaoqing, et al. The Journal of Physical Chemistry A 120.30 (2016): 5969-5978.
C6H11O2-3O-1<=>C4H7O12-4+CH3CHO                    3.110E+012          0.121  11900.0   !DONG NEED TO CHECK, ANALOGY FROM CIS-HEPTENE \AUTHOR: SD !\REF: You, Xiaoqing, et al. The Journal of Physical Chemistry A 120.30 (2016): 5969-5978.

!
C6H101OOH4-3+HO2<=>C6H101-3,4OOH                  +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.91000000E+031 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +6.31000000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +1.03000000E+045 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +2.79000000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 /
C6H101OOH4-3+HO2<=>C6H101O-3-4OOH+OH              +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
C6H101OOH4-3+HO2<=>NC6D1KET34+H2O                 +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.09000000E+000 +3.01000000E+000 -3.42110000E+003 /
PLOG /                           +1.00000000E-001 +6.35000000E+001 +2.50000000E+000 -2.34140000E+003 /
PLOG /                           +1.00000000E+000 +6.05000000E+005 +1.39000000E+000 +5.95100000E+002 /
PLOG /                           +1.00000000E+001 +3.10000000E+005 +1.59000000E+000 +2.67760000E+003 /
PLOG /                           +1.00000000E+002 +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 /
C6H101-3,4OOH<=>C6H101O-3-4OOH+OH                 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C6H101-3,4OOH<=>NC6D1KET34+H2O                    +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.99000000E+050 -1.27000000E+001 +5.35319000E+004 /
PLOG /                           +1.00000000E-001 +4.72000000E+047 -1.15000000E+001 +5.43609000E+004 /
PLOG /                           +1.00000000E+000 +1.50000000E+040 -8.84000000E+000 +5.31792000E+004 /
PLOG /                           +1.00000000E+001 +2.54000000E+028 -5.00000000E+000 +4.99194000E+004 /
PLOG /                           +1.00000000E+002 +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 /
C6H101OOH5-3+HO2<=>C6H101-3,5OOH                  +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.91000000E+031 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +6.31000000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +1.03000000E+045 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +2.79000000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 /
C6H101OOH5-3+HO2<=>C6H101O-3-5OOH+OH              +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
C6H101OOH5-3+HO2<=>NC6D1KET35+H2O                 +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.09000000E+000 +3.01000000E+000 -3.42110000E+003 /
PLOG /                           +1.00000000E-001 +6.35000000E+001 +2.50000000E+000 -2.34140000E+003 /
PLOG /                           +1.00000000E+000 +6.05000000E+005 +1.39000000E+000 +5.95100000E+002 /
PLOG /                           +1.00000000E+001 +3.10000000E+005 +1.59000000E+000 +2.67760000E+003 /
PLOG /                           +1.00000000E+002 +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 /
C6H101-3,5OOH<=>C6H101O-3-5OOH+OH                 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C6H101-3,5OOH<=>NC6D1KET35+H2O                    +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.99000000E+050 -1.27000000E+001 +5.35319000E+004 /
PLOG /                           +1.00000000E-001 +4.72000000E+047 -1.15000000E+001 +5.43609000E+004 /
PLOG /                           +1.00000000E+000 +1.50000000E+040 -8.84000000E+000 +5.31792000E+004 /
PLOG /                           +1.00000000E+001 +2.54000000E+028 -5.00000000E+000 +4.99194000E+004 /
PLOG /                           +1.00000000E+002 +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 /
C6H101OOH6-3+HO2<=>C6H101-3,6OOH                  +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.91000000E+031 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +6.31000000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +1.03000000E+045 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +2.79000000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 /
C6H101OOH6-3+HO2<=>C6H101O-3-6OOH+OH              +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
C6H101OOH6-3+HO2<=>NC6D1KET36+H2O                 +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.09000000E+000 +3.01000000E+000 -3.42110000E+003 /
PLOG /                           +1.00000000E-001 +6.35000000E+001 +2.50000000E+000 -2.34140000E+003 /
PLOG /                           +1.00000000E+000 +6.05000000E+005 +1.39000000E+000 +5.95100000E+002 /
PLOG /                           +1.00000000E+001 +3.10000000E+005 +1.59000000E+000 +2.67760000E+003 /
PLOG /                           +1.00000000E+002 +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 /
C6H101-3,6OOH<=>C6H101O-3-6OOH+OH                 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C6H101-3,6OOH<=>NC6D1KET36+H2O                    +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.99000000E+050 -1.27000000E+001 +5.35319000E+004 /
PLOG /                           +1.00000000E-001 +4.72000000E+047 -1.15000000E+001 +5.43609000E+004 /
PLOG /                           +1.00000000E+000 +1.50000000E+040 -8.84000000E+000 +5.31792000E+004 /
PLOG /                           +1.00000000E+001 +2.54000000E+028 -5.00000000E+000 +4.99194000E+004 /
PLOG /                           +1.00000000E+002 +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 /

C6H103OOH1-2+HO2<=>C6H103-1,2OOH                  +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
C6H103OOH1-2+HO2<=>C6H103O-2-1OOH+OH              +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
C6H103OOH1-2+HO2<=>NC6D3KET21+H2O                 +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
C6H103-1,2OOH<=>C6H103O-2-1OOH+OH                 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
C6H103-1,2OOH<=>NC6D3KET21+H2O                    +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
!
C6H102OOH5-4+HO2<=>C6H102-4,5OOH                  +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
C6H102OOH5-4+HO2<=>C6H102O-4-5OOH+OH              +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
C6H102OOH5-4+HO2<=>NC6D2KET45+H2O                 +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
C6H102-4,5OOH<=>C6H102O-4-5OOH+OH                 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
C6H102-4,5OOH<=>NC6D2KET45+H2O                    +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
!
C6H102OOH6-4+HO2<=>C6H102-4,6OOH                  +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
C6H102OOH6-4+HO2<=>C6H102O-4-6OOH+OH              +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
C6H102OOH6-4+HO2<=>NC6D2KET46+H2O                 +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
C6H102-4,6OOH<=>C6H102O-4-6OOH+OH                 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
C6H102-4,6OOH<=>NC6D2KET46+H2O                    +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 

!DONG 0605
C6H101O-3-4OOH=>C2H3CHO+C2H5CHO+OH                +4.72000000E+020 -2.06000000E+000 +9.46500000E+003 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: ANALOGY TO C5H10OOH2-3O=>C2H5CHO+CH3CHO+OH 
C6H101O-3-5OOH<=>C2H3CHO+C3H6OOH2-1               +5.51000000E+022 -2.76000000E+000 +1.39800000E+004 !\Author: WARNING !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 
C6H101O-3-6OOH<=>C2H3CHO+C3H6OOH1-3               +5.51000000E+022 -2.76000000E+000 +1.39800000E+004 !\Author: WARNING !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 

C6H102O-4-5OOH=>SC3H5CHO+CH3CHO+OH                +4.72000000E+020 -2.06000000E+000 +9.46500000E+003 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: ANALOGY TO C5H10OOH2-3O=>C2H5CHO+CH3CHO+OH 
C6H102O-4-6OOH<=>SC3H5CHO+C2H4O2H                 +5.51000000E+022 -2.76000000E+000 +1.39800000E+004 !\Author: WARNING !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 
C6H103O-2-1OOH=>C4H7CHO-2+CH2O+OH                 +8.69000000E+021 -2.37000000E+000 +1.26290000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: ANALOGY TO C5H10OOH1-2O=>NC3H7CHO+CH2O+OH
!
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: ALKENYL-PEROXY REACTION PATHWAYS QOOH<=>CYCETH
!___________________________________________________________________________________________________________ 

C6H101OOH3-4<=>ETES1+OH                           +1.78000000E+012 +0.00000000E+000 +1.02487500E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!DONG 0616!C6H101OOH3-5<=>MVOX+OH                            +6.34000000E+011 +0.00000000E+000 +1.57833600E+004 !\Author: WARNING !\Ref: ALKANE RATE RULES !\Comment: WARNING 
C6H101OOH3-5<=>MVOX+OH                            +1.56000000E+014 -9.25000000E-001 +1.63000000E+004 !\Author: SD !\Ref: YOU J.PHYS.CHEM.A 120 (2016) 5969-5978 !\Comment: WARNING 
!DONG 0718!C6H101OOH3-5<=>MVOX+OH                            +0.78000000E+014 -9.25000000E-001 +1.63000000E+004 !*0.5 \Author: SD !\Ref: YOU J.PHYS.CHEM.A 120 (2016) 5969-5978 !\Comment: WARNING 

!DONG 0616!C6H101OOH3-6<=>VTHF+OH                            +2.77000000E+010 +0.00000000E+000 +8.83184000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H101OOH3-6<=>VTHF+OH                            +1.23000000E+016 -1.81700000E+000 +1.30000000E+004 !\Author: SD !\Ref: YOU J.PHYS.CHEM.A 120 (2016) 5969-5978 !\Comment: WARNING 

C6H101OOH4-2<=>C6H101O2-4+OH                      +3.80000000E+009 +4.43000000E-001 +4.97000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 


!DONG 0616!C6H101OOH4-3<=>EDHF+OH                            +5.77000000E+017 -1.41600000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
!DONG 0613!C6H101OOH4-3<=>EDHF+OH                            +1.71000000E+016 -1.21800000E+000 +2.79000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
!DONG 0923!C6H101OOH4-3<=>ETES1+OH                           +1.71000000E+016 -1.21800000E+000 +2.79000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C6H101OOH4-3<=>ETES1+OH                           +3.77000000E+010 +5.54000000E-001 +1.45000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
!DONG 0927!C4H61-3OOH4<=>C2H3CHOCH2+OH     +1.95278310E+019 -2.02236350E+000 +2.10266090E+004  !\Author: SD !\Ref: Zhu, Yuxiang, and Chong-Wen Zhou. Combustion and Flame 221 (2020): 241-255. !\Comment: WARNING 

!

C6H101OOH4-5<=>C6H101O4-5+OH                      +1.78000000E+012 +0.00000000E+000 +1.31636400E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H101OOH4-6<=>C6H101O4-6+OH                      +6.34000000E+011 +0.00000000E+000 +1.73362000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H101OOH5-3<=>MVOX+OH                            +5.16000000E+009 +2.67000000E-001 +2.47000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C6H101OOH5-4<=>C6H101O4-5+OH                      +1.78000000E+012 +0.00000000E+000 +1.31636400E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H101OOH5-6<=>C6H101O5-6+OH                      +3.55000000E+012 +0.00000000E+000 +1.23143500E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H101OOH6-3<=>VTHF+OH                            +2.77000000E+010 +0.00000000E+000 +2.51680000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H101OOH6-4<=>C6H101O4-6+OH                      +9.51000000E+011 +0.00000000E+000 +1.66218000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H101OOH6-5<=>C6H101O5-6+OH                      +3.55000000E+012 +0.00000000E+000 +1.11769500E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 


!C6H102OOH1-4<=>ETES1+OH                           +3.77000000E+010 +5.54000000E-001 +1.45000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 

!DONG 0621!
!DONG 0824!C6H103OOH1-2<=>EDHF+OH                            +3.77000000E+010 +5.54000000E-001 +1.45000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C6H103OOH1-2<=>EDHF+OH                            +1.71000000E+016 -1.21800000E+000 +2.79000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: C5H82OOH1-4<=>C5H82O4-5+OH 

!C6H103OOH1-2=>ETES1+OH                            +6.00000000E+011 +0.00000000E+000 +2.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DSJ
!DONG 0824!C6H103OOH1-2<=>C6H103O1-2+OH                      +3.77000000E+010 +5.54000000E-001 +1.45000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING  
!DONG 0923!C6H103OOH1-2<=>C6H103O1-2+OH                      +1.71000000E+016 -1.21800000E+000 +2.79000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: C5H82OOH1-4<=>C5H82O4-5+OH
C6H103OOH1-2<=>C6H103O1-2+OH                      +3.77000000E+010 +5.54000000E-001 +1.45000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 


!DONG 0621!C6H103OOH1-2<=>C6H103O1-2+OH                      +3.77000000E+010 +5.54000000E-001 +1.65000000E+004 !EA+2KCAL/MOLE \Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING  
!DONG 0618!C6H103OOH1-2<=>C6H103O1-2+OH                      +1.71000000E+016 -1.21800000E+000 +2.79000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 

C6H102OOH4-5=>ETES1+OH                            +1.44000000E+016 -1.17800000E+000 +1.05000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!DONG 0616!C6H102OOH4-6=>ETES1+OH                            +7.50000000E+010 +0.00000000E+000 +1.52500000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H102OOH4-6<=>C6H102O4-6+OH                      +5.16000000E+009 +2.67000000E-001 +2.47000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
!

!DONG 0616!C6H102OOH5-4=>ETES1+OH                            +3.77000000E+010 +5.54000000E-001 +1.45000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0923!C6H102OOH5-4<=>C6H102O4-5+OH                      +1.71000000E+016 -1.21800000E+000 +2.79000000E+004 !\Author: SD !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: C5H81OOH4-3<=>C5H81O3-4+OH 
C6H102OOH5-4<=>C6H102O4-5+OH                      +3.77000000E+010 +5.54000000E-001 +1.45000000E+004 !\Author: SD !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 

C6H102OOH5-6<=>C6H102O5-6+OH                      +1.53000000E+010 +6.40000000E-001 +1.05000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!DONG 0605!C6H102OOH6-4=>ETES1+OH                            +7.50000000E+010 +0.00000000E+000 +1.52500000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H102OOH6-4<=>C6H102O4-6+OH                      +5.16000000E+009 +2.67000000E-001 +2.47000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
!

C6H102OOH6-5<=>C6H102O5-6+OH                      +6.46000000E+009 +9.40000000E-001 +1.09000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H103OOH2-1<=>C6H103O1-2+OH                      +2.01000000E+012 +1.62000000E-001 +1.22000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: CYCETH DECOMPOSITION
!___________________________________________________________________________________________________________ 

ETES1+OH=>H2O+C2H3+C2H5CHCO                       +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
MVOX+OH=>H2O+C3H6+C2H3CO                          +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 

!DONG 0605
!VTHF+OH=>H2O+C4H6+CH2CHO                          +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
VTHF+OH=>H2O+C2H4+C2H3COCH2                       +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 

!
EDHF+OH=>H2O+C2H3+HCCO+C2H5                       +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C6H101O2-4+OH=>H2O+C3H4-A+C2H5CO                  +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C6H101O4-5+OH=>H2O+C3H5-A+CH3CHCO                 +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C6H101O4-6+OH=>H2O+C2H4+C3H5-A+CO                 +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C6H101O5-6+OH=>H2O+C4H71-4+CH2CO                  +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 

C6H102O4-5+OH=>H2O+C3H5-S+CH3CHCO                 +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C6H102O4-6+OH=>H2O+SC3H5CO+C2H4                   +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C6H102O5-6+OH=>H2O+C4H71-3+CH2CO                  +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 

!DONG 0605
C6H103O1-2+OH=>H2O+C4H71-1+CH2CO                  +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!

ETES1+HO2=>H2O2+C2H3+C2H5CHCO                     +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
MVOX+HO2=>H2O2+C3H6+C2H3CO                        +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!DONG 0605
!VTHF+HO2=>H2O2+C4H6+CH2CHO                        +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
VTHF+HO2=>H2O2+C2H4+C2H3COCH2                     +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING
!
EDHF+HO2=>H2O2+C2H3+HCCO+C2H5                     +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
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!DONG 0605
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!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: ALKENYL-PEROXY REACTION PATHWAYS QOOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
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!DONG 0605
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C6H102OOH6-4O2=>NC6D2KET64+OH                     +1.16000000E+003 +2.24500000E+000 +1.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H102OOH6-5O2=>NC6D2KET65+OH                     +4.34000000E+006 +1.73000000E+000 +3.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H103OOH2-1O2=>NC6D3KET21+OH                     +4.91000000E+001 +2.65500000E+000 +1.82270000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H103OOH1-2O2=>NC6D3KET12+OH                     +7.27000000E-005 +4.53900000E+000 +2.44000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H101OOH3-4O2<=>NC6D1KET34+OH                    +1.74800000E+008 +1.70000000E+000 +2.60000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 

!DONG 0824!C6H101OOH3-5O2<=>NC6D1KET35+OH                    +1.75400000E+002 +3.10000000E+000 +1.75000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
!DONG 0824!C6H101OOH3-6O2<=>NC6D1KET36+OH                    +2.53600000E+002 +2.60000000E+000 +1.62000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C6H101OOH3-5O2=>NC6D1KET35+OH                          5.60E+04    2.005   12132 !WAGNON1@LLNL.GOV! A*0.5(DEG) AS TABLE 2 R7 1-5 SHIFT ZHANG JPCA 115 (2011) 655-663
C6H101OOH3-6O2=>NC6D1KET36+OH                          7.60E+03    2.005   12132 !WAGNON1@LLNL.GOV! A*0.5(DEG)*EXP(-2) FOR LOSS OF ROTOR AS TABLE 2 R7 1-5 SHIFT ZHANG JPCA 115 (2011) 655-663

C6H101OOH4-3O2<=>NC6D1KET43+OH                    +1.74800000E+008 +1.70000000E+000 +2.60000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C6H101OOH4-5O2<=>NC6D1KET45+OH                    +1.74800000E+008 +1.70000000E+000 +2.60000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C6H101OOH4-6O2<=>NC6D1KET46+OH                    +5.78600000E+001 +2.90000000E+000 +1.70000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C6H101OOH5-3O2<=>NC6D1KET53+OH                    +1.75400000E+002 +3.10000000E+000 +1.75000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C6H101OOH5-4O2<=>NC6D1KET54+OH                    +1.74800000E+008 +1.70000000E+000 +2.60000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C6H101OOH5-6O2<=>NC6D1KET56+OH                    +2.76300000E+008 +1.20000000E+000 +2.57000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C6H101OOH6-3O2<=>NC6D1KET63+OH                    +1.25600000E+003 +2.20000000E+000 +1.74000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C6H101OOH6-4O2<=>NC6D1KET64+OH                    +1.09800000E+004 +2.40000000E+000 +1.99000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C6H101OOH6-5O2<=>NC6D1KET65+OH                    +2.44000000E+007 +1.60000000E+000 +2.79000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
NC6D1KET34=>NC6D1KET34O+OH                        +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6D1KET34O=>C2H3CO+C2H5CHO                       +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6D1KET35=>NC6D1KET35O+OH                        +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6D1KET35O=>C2H3+CH2CO+CH3CHO                    +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6D1KET36=>NC6D1KET36O+OH                        +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6D1KET36O=>C2H4+CH2O+C2H3CO                     +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0621!NC6D1KET43=>NC6D1KET43O+OH                        +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6D1KET43=>NC6D1KET43O+OH                        +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\AUTHOR: !\REF:Goldsmith, C. Franklin, et al. Proceedings of the Combustion Institute 33.1 (2011): 273-282. \COMMENT:
!
NC6D1KET43O=>C2H3CHO+C2H5CO                       +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6D1KET45=>NC6D1KET45O+OH                        +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6D1KET45O=>C3H5-A+CO+CH3CHO                     +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6D1KET46=>NC6D1KET46O+OH                        +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6D1KET46O=>C3H5-A+CH2O+CH2CO                    +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0621!NC6D1KET53=>NC6D1KET53O+OH                        +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6D1KET53=>NC6D1KET53O+OH                        +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\AUTHOR: !\REF:Goldsmith, C. Franklin, et al. Proceedings of the Combustion Institute 33.1 (2011): 273-282. \COMMENT:
!
NC6D1KET53O=>C2H3CHO+CH3COCH2                     +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6D1KET54=>NC6D1KET54O+OH                        +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6D1KET54O=>AC3H5CHO+CH3CO                       +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6D1KET56=>NC6D1KET56O+OH                        +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6D1KET56O=>C3H5-A+CH2CO+CH2O                    +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0621!NC6D1KET63=>NC6D1KET63O+OH                        +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6D1KET63=>NC6D1KET63O+OH                        +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\AUTHOR: !\REF:Goldsmith, C. Franklin, et al. Proceedings of the Combustion Institute 33.1 (2011): 273-282. \COMMENT:

NC6D1KET63O=>C2H3CHO+CH2CH2CHO                    +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6D1KET64=>NC6D1KET64O+OH                        +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6D1KET64O=>AC3H5CHO+CH3CO                       +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6D1KET65=>NC6D1KET65O+OH                        +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6D1KET65O=>C4H7CHO-4+HCO                        +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6D2KET45=>OH+C3H5-T+CO+CH3CHO                   +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6D2KET46=>OH+C3H5-T+CH2CO+CH2O                  +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6D2KET54=>OH+CH2CHO+C2H3COCH3                   +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6D2KET56=>OH+C3H5-T+CH2O+CH2CO                  +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6D2KET64=>OH+CH2CHO+C2H3COCH3                   +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6D2KET65=>OH+C4H71-3+CO+CH2O                    +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6D3KET12=>OH+HCO+C4H7CHO-3                      +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC6D3KET21=>OH+C4H71-4+CO+CH2O                    +1.50000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0318, NOT PRODUCED, REMOVE!OVCCCJVO+H=OVCCCVO                                +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0318, NOT PRODUCED, REMOVE!CH2CHO+HCO=OVCCCVO                                +1.81000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0318, NOT PRODUCED, REMOVE!OVCCCVO+O2=OVCCCJVO+HO2                           +1.80000000E+016 +0.00000000E+000 +4.38440000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0318, NOT PRODUCED, REMOVE!OVCCCVO+H=OVCCCJVO+H2                             +2.62000000E+005 +2.58000000E+000 +1.22000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0318, NOT PRODUCED, REMOVE!OVCCCVO+O=OVCCCJVO+OH                             +1.19000000E+013 +0.00000000E+000 +1.86800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0318, NOT PRODUCED, REMOVE!OVCCCVO+OH=OVCCCJVO+H2O                           +7.46000000E+004 +2.60000000E+000 -2.30000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0318, NOT PRODUCED, REMOVE!OVCCCVO+HO2=OVCCCJVO+H2O2                         +6.02000000E+012 +0.00000000E+000 +1.19230000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0318, NOT PRODUCED, REMOVE!OVCCCVO+CH3=OVCCCJVO+CH4                          +1.42000000E-003 +4.58000000E+000 +1.96600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0318, NOT PRODUCED, REMOVE!CH2CHO+CO=OVCCCJVO                                +1.51000000E+011 +0.00000000E+000 +4.18000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0818!C6H11-1D4O=C2H5CHO+C3H5-A                         +3.13000000E+019 -1.90000000E+000 +1.06700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H11-1D5O=CH3CHO+C4H71-4                         +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0818!C6H11-1D6O=CH2O+C5H91-5                           +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0818!C6H11-2D5O=CH3CHO+C4H71-3                         +3.13000000E+019 -1.90000000E+000 +1.06700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0818!C6H11-2D6O=CH2O+C5H92-5                           +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0818!C6H11-3D1O=CH2O+C5H91-3                           +5.98000000E+015 -1.10000000E+000 +9.94100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C6H12-1\C6H12-2\C6H12-3
!----------------------------------------------------------------------------------------------------------------------------------

!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: CHX: CYCLOHEXANE
!\MECHCOMMENTS: DONG 0927, COPIED FROM CoOptima MECH
!----------------------------------------------------------------------------------------------------------------------------------

!FH_UNIMOLECULAR________________________________________________________________

CHXRAD+H=CHX                                           1.00E+14    0.000       0 !WAGNON1@LLNL.GOV! ESTIMATE

CHX=C6H12-1                                            4.03E+16    0.367   90760 !WAGNON1@LLNL.GOV! K1-RRKM KIEFER J.PHYS.CHEM.A 113 (2009) 13570-13583

!FH_ABSTRACTION_________________________________________________________________

CHX+O2=CHXRAD+HO2                                      1.08E+15    0.000   52874 !WAGNON1@LLNL.GOV! A=DEG*9E+13, E=DH298+2RT, T=1000K
CHX+H=CHXRAD+H2                                        1.56E+08    1.990    5500 !WAGNON1@LLNL.GOV! TABLE 4 CYC6*12(DEG) CARSTENSEN J.PHYS.CHEM.A 113 (2009) 367-380
CHX+O=CHXRAD+OH                                        2.59E+06    2.600    2464 !WAGNON1@LLNL.GOV! COHEN JPC REF DATA 20 (1991) 1211-1311
CHX+OH=CHXRAD+H2O                                      1.91E+08    1.679    -236 !WAGNON1@LLNL.GOV! 225-1347K FIT SIVARAMAKRISHNAN COMBUST.FLAME 156 (2009) 1126-1134
CHX+HO2=CHXRAD+H2O2                                    5.69E+02    3.370   13719 !WAGNON1@LLNL.GOV! AS A*12(FOR DEG)*1.5 SECONDARY IN TABLE 5 AGUILERA-IPARRAGUIRRE JPCA 112 (2008) 7047-7054
CHX+CH3=CHXRAD+CH4                                     5.04E+05    2.100    7574 !WAGNON1@LLNL.GOV! DEG=12 AS ALKANE SECONDARY RATE RULE

!F_UNIMOLECULAR_________________________________________________________________

CHXRAD=CYCHEXENE+H                                     1.00E+00    0.000       0 !WAGNON1@LLNL.GOV! ENOCH DAMES EMAIL 2014-01-11
PLOG /  1.00E-02  4.79E+46  -10.570   46900 / 
PLOG /  1.00E-02  1.81E+18   -1.740   39700 / !900-2100K, MAX FIT ERROR <30%
PLOG /  1.00E-01  3.83E+15   -1.120   32300 / 
PLOG /  1.00E-01  1.89E+18   -1.640   39700 / !900-2100K, MAX FIT ERROR <30%
PLOG /  1.00E+00  3.22E+15   -0.990   32700 / 
PLOG /  1.00E+00  1.89E+18   -1.640   39700 / !900-2100K, MAX FIT ERROR <30%
PLOG /  1.00E+01  3.99E+30   -5.130   44000 / 
PLOG /  1.00E+01  1.89E+18   -1.640   39700 / !900-2100K, MAX FIT ERROR <30%
PLOG /  1.00E+02  3.47E+36   -6.810   47200 / 
PLOG /  1.00E+02  0.00E+00    0.000       0 / !900-2100K, MAX FIT ERROR <30%
PLOG /  1.00E+03  4.32E+36   -6.770   47400 / 
PLOG /  1.00E+03  0.00E+00    0.000       0 / !900-2100K, MAX FIT ERROR <30%

CHXRAD=C6H111-6                                        1.00E+00    0.000       0 !WAGNON1@LLNL.GOV! ENOCH DAMES EMAIL 2014-01-11
PLOG /  1.00E-02  1.35E+33   -6.970   34600 / !900-2100K, MAX FIT ERROR <30%
PLOG /  1.00E-01  9.12E+48  -10.950   48800 / !900-2100K, MAX FIT ERROR <30%
PLOG /  1.00E+00  7.68E+58  -13.340   59200 / !900-2100K, MAX FIT ERROR <30%
PLOG /  1.00E+01  1.13E+59  -13.090   62700 / !900-2100K, MAX FIT ERROR <30%
PLOG /  1.00E+02  1.18E+59  -13.000   63200 / !900-2100K, MAX FIT ERROR <30%
PLOG /  1.00E+03  9.48E+58  -12.900   62400 / !900-2100K, MAX FIT ERROR <30%

!F_ALKYL_O2-ADDITION____________________________________________________________

CHXRAD+O2=CHXO2J                                       1.75E+14   -0.700    -506 !WAGNON1@LLNL.GOV! SUP.MAT. FERNANDES PHYS.CHEM.CHEM.PHYS. 11 (2009) 1320-1327
PLOG /  1.00E+00  4.74E+17   -1.800     511 / !500-900K
PLOG /  2.00E+00  1.92E+16   -1.300     102 / !500-900K
PLOG /  5.00E+00  2.51E+15   -1.000    -158 / !500-900K
PLOG /  1.00E+01  6.57E+14   -0.800    -333 / !500-900K
PLOG /  2.00E+01  2.99E+14   -0.700    -436 / !500-900K
PLOG /  3.00E+01  2.23E+14   -0.700    -474 / !500-900K
PLOG /  4.00E+01  1.92E+14   -0.700    -493 / !500-900K
PLOG /  5.00E+01  1.75E+14   -0.700    -506 / !500-900K


CHXRAD+O2=CYCHEXENE+HO2                                3.38E-24   11.200   -2835 !WAGNON1@LLNL.GOV! FORMALLY DIRECT SUP.MAT. FERNANDES PHYS.CHEM.CHEM.PHYS. 11 (2009) 1320-1327
PLOG /  1.00E+00  7.26E+44   -9.600   21964 / !500-900K
PLOG /  2.00E+00  6.17E+39   -8.000   20583 / !500-900K
PLOG /  5.00E+00  1.55E+07    2.000    8641 / !REFIT, 500-900K; REFIT ABS ERROR: MEDIAN = 6%, MEAN = 6%, MAX = 18% @500K
PLOG /  1.00E+01  1.36E+07    2.000    9031 / !REFIT, 500-900K; REFIT ABS ERROR: MEDIAN = 8%, MEAN = 8%, MAX = 26% @500K
PLOG /  2.00E+01  5.10E+06    2.000    9169 / !REFIT, 500-900K; REFIT ABS ERROR: MEDIAN = 9%, MEAN = 10%, MAX = 32% @500K
PLOG /  3.00E+01  3.08E+06    2.000    9224 / !REFIT, 500-900K; REFIT ABS ERROR: MEDIAN = 9%, MEAN = 10%, MAX = 35% @500K
PLOG /  4.00E+01  4.83E+06    2.000    9393 / !REFIT, 500-900K; REFIT ABS ERROR: MEDIAN = 10%, MEAN = 11%, MAX = 37% @500K
PLOG /  5.00E+01  3.75E+06    2.000    9413 / !REFIT, 500-900K; REFIT ABS ERROR: MEDIAN = 10%, MEAN = 11%, MAX = 38% @500K

!FO2_QOOH-ISOMERIZATION_________________________________________________________

CHXO2J=CHX1Q3J                                         5.66E+02    2.700   21637 !WAGNON1@LLNL.GOV! SUP.MAT. FERNANDES PHYS.CHEM.CHEM.PHYS. 11 (2009) 1320-1327
PLOG /  1.00E+00  4.10E+00    3.400   20707 / !500-900K
PLOG /  2.00E+00  3.11E+00    3.400   20685 / !500-900K
PLOG /  5.00E+00  8.60E+03    2.300   22079 / !500-900K
PLOG /  1.00E+01  2.34E+03    2.500   21866 / !500-900K
PLOG /  2.00E+01  1.07E+03    2.600   21742 / !500-900K
PLOG /  3.00E+01  7.03E+02    2.700   21670 / !500-900K
PLOG /  4.00E+01  6.25E+02    2.700   21653 / !500-900K
PLOG /  5.00E+01  5.66E+02    2.700   21637 / !500-900K

!QOOH_PRODUCTS__________________________________________________________________

CHX1Q3J=HEX5ENAL+OH                                    2.99E+22   -3.400   22216 !WAGNON1@LLNL.GOV! SUP.MAT. FERNANDES PHYS.CHEM.CHEM.PHYS. 11 (2009) 1320-1327
PLOG /  1.00E+00  2.99E+22   -3.400   22216 / !500-900K
PLOG /  2.00E+00  5.35E+19   -2.500   21375 / !500-900K
PLOG /  5.00E+00  9.01E+12   -0.400   18893 / !500-900K
PLOG /  1.00E+01  9.44E+10    0.300   18181 / !500-900K
PLOG /  2.00E+01  1.25E+10    0.500   17882 / !500-900K
PLOG /  3.00E+01  3.38E+09    0.700   17670 / !500-900K
PLOG /  4.00E+01  2.09E+09    0.800   17594 / !500-900K
PLOG /  5.00E+01  2.28E+09    0.800   17616 / !500-900K

!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: CHX: CYCLOHEXANE
!\DONG 0927, COPIED FROM CoOptima MECH
!----------------------------------------------------------------------------------------------------------------------------------


!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: HEX5ENAL
!----------------------------------------------------------------------------------------------------------------------------------

!FH_UNIMOLECULAR________________________________________________________________

HEX5ENAL=C3H6+C2H3CHO                                  2.11E+12    0.000   57430 !WAGNON1@LLNL.GOV! A*2/3(DEG) AS C5H10-1=C3H6+C2H4 TSANG INT.J.CHEM.KINET. 10 (1978) 599-617

HX5ENAL1J+H=HEX5ENAL                                   1.00E+14    0.000       0 !WAGNON1@LLNL.GOV! ESTIMATE
HX5ENAL2J+H=HEX5ENAL                                   1.00E+14    0.000       0 !WAGNON1@LLNL.GOV! ESTIMATE
HX5ENAL3J+H=HEX5ENAL                                   1.00E+14    0.000       0 !WAGNON1@LLNL.GOV! ESTIMATE
HX5ENAL4J+H=HEX5ENAL                                   1.00E+14    0.000       0 !WAGNON1@LLNL.GOV! ESTIMATE

C2H3+C3H6CHO-1=HEX5ENAL                                1.50E+13    0.000       0 !WAGNON1@LLNL.GOV! ESTIMATE
C3H5-A+CH2CH2CHO=HEX5ENAL                              1.00E+13    0.000       0 !WAGNON1@LLNL.GOV! ESTIMATE
C4H71-4+CH2CHO=HEX5ENAL                                1.00E+13    0.000       0 !WAGNON1@LLNL.GOV! ESTIMATE
HEX5ENAL=C5H91-5+HCO                                   2.18E+22   -1.740   86364 !WAGNON1@LLNL.GOV! A*0.8(BRANCHING RATIO) AS K1+K2+K3 HPL SIVARAMAKRISHNAN JPCA 114 (2010) 755-764

!FH_ABSTRACTION_________________________________________________________________

!ALDEHYDE SITE
!HEX5ENAL+O2=HX5ENAL1J+HO2
HEX5ENAL+H=HX5ENAL1J+H2                                8.46E+05    2.300    1545 !WAGNON1@LLNL.GOV! AS C2H5CHO+H=C2H5CO+H2 TABLE 5 MENDES JPCA 118 (2014) 12089-12104
!HEX5ENAL+O=HX5ENAL1J+OH
HEX5ENAL+OH=HX5ENAL1J+H2O                              3.73E+04    2.600   -2300 !KUKKADAPU1@LLNL.GOV! REVIEW OF ALDEHYDE+OH=RCO+H2O
HEX5ENAL+HO2=HX5ENAL1J+H2O2                            3.72E-05    5.000    3504 !WAGNON1@LLNL.GOV! AS C2H5CHO+HO2=C2H5CO+H2O2 TABLE 6 MENDES JPCA 118 (2014) 12089-12104
HEX5ENAL+CH3=HX5ENAL1J+CH4                             2.99E+00    3.600    4338 !WAGNON1@LLNL.GOV! AS C2H5CHO+CH3=C2H5CO+CH4 TABLE 6 MENDES JPCA 118 (2014) 12089-12104

!S SITE, ALDEHYDE ADJACENT
HEX5ENAL+O2=HX5ENAL2J+HO2                              1.40E+13    0.000   50160 !WAGNON1@LLNL.GOV! A*(DEG) S NALKANE RATE RULE
HEX5ENAL+H=HX5ENAL2J+H2                                1.30E+06    2.400    4471 !WAGNON1@LLNL.GOV! A*(DEG) S NALKANE RATE RULE
HEX5ENAL+O=HX5ENAL2J+OH                                2.81E+13    0.000    5200 !WAGNON1@LLNL.GOV! A*(DEG) S NALKANE RATE RULE
HEX5ENAL+OH=HX5ENAL2J+H2O                              1.41E+10    0.935     505 !WAGNON1@LLNL.GOV! A*(DEG) S NALKANE RATE RULE
HEX5ENAL+HO2=HX5ENAL2J+H2O2                            9.48E+01    3.400   13720 !WAGNON1@LLNL.GOV! A*(DEG) S NALKANE RATE RULE
HEX5ENAL+CH3=HX5ENAL2J+CH4                             8.40E+04    2.100    7574 !WAGNON1@LLNL.GOV! A*(DEG) S NALKANE RATE RULE

!S ALKYL SITE
HEX5ENAL+O2=HX5ENAL3J+HO2                              1.40E+13    0.000   50160 !WAGNON1@LLNL.GOV! A*(DEG) S NALKANE RATE RULE
HEX5ENAL+H=HX5ENAL3J+H2                                1.30E+06    2.400    4471 !WAGNON1@LLNL.GOV! A*(DEG) S NALKANE RATE RULE
HEX5ENAL+O=HX5ENAL3J+OH                                2.81E+13    0.000    5200 !WAGNON1@LLNL.GOV! A*(DEG) S NALKANE RATE RULE
HEX5ENAL+OH=HX5ENAL3J+H2O                              1.41E+10    0.935     505 !WAGNON1@LLNL.GOV! A*(DEG) S NALKANE RATE RULE
HEX5ENAL+HO2=HX5ENAL3J+H2O2                            9.48E+01    3.400   13720 !WAGNON1@LLNL.GOV! A*(DEG) S NALKANE RATE RULE
HEX5ENAL+CH3=HX5ENAL3J+CH4                             8.40E+04    2.100    7574 !WAGNON1@LLNL.GOV! A*(DEG) S NALKANE RATE RULE

!S ALLYLIC SITE
!HEX5ENAL+O2=HX5ENAL4J+HO2
HEX5ENAL+H=HX5ENAL4J+H2                                5.02E+04    2.500   -1912 ! RATE RULE FOR SECONDARY ALLYLIC H, HEYBERGER ET AL
!HEX5ENAL+O=HX5ENAL4J+OH
HEX5ENAL+OH=HX5ENAL4J+H2O                              4.74E+06    2.000   -1434 ! RATE RULE FOR SECONDARY ALLYLIC H, HEYBERGER ET AL !!A*1.5_GOUTHAM
HEX5ENAL+HO2=HX5ENAL4J+H2O2                            6.80E+03    2.500   10114 ! RATE RULE FOR SECONDARY ALLYLIC H,! SCOTT AND WALKER C&F 129:365  77 (2002).
HEX5ENAL+CH3=HX5ENAL4J+CH4                             1.00E-01    3.500    4046 ! USED PRIMARY RATE RULE FOR ALLYLIC H, HEYBERGER ET AL ! IJCK 34:666-677 (2002) ! LOWERED EA BY 0.65(BD PRIMARY ALLYLLIC - SECONDARY ALLYLLIC). ! .65 IS FOR CH3 ABS RXNS DEAN&BOZZ COMB. CHEM. OF N2 (1997)

!F_UNIMOLECULAR_________________________________________________________________

HX5ENAL2J=HX5ENAL1J                                    4.03E+07    1.561   36701 !WAGNON1@LLNL.GOV! ESTIMATE 1,2-SHIFT BASED ON WANG J.PHYS.CHEM.A 119 (2015) 7205-7221
HX5ENAL3J=HX5ENAL1J                                    3.65E+05    1.981   30986 !WAGNON1@LLNL.GOV! ESTIMATE 1,3-SHIFT BASED ON WANG J.PHYS.CHEM.A 119 (2015) 7205-7221

HX5ENAL3J=HX5ENAL2J                                    8.06E+07    1.561   33533 !WAGNON1@LLNL.GOV! A*2(DEG) ESTIMATE 1,2-SHIFT BASED ON WANG J.PHYS.CHEM.A 119 (2015) 7205-7221

HX5ENAL1J=HX5ENAL4J                                    4.22E+04    1.930   13500 !WAGNON1@LLNL.GOV! A*2(DEG) AS 1,4-SHIFT TABLE 1 #1.3 WANG CHEM.PHYS.CHEM. 16 (2015) 2635-2645
HX5ENAL2J=HX5ENAL4J                                    2.50E+04    2.280   28500 !WAGNON1@LLNL.GOV! A*2(DEG) AS 1,3-SHIFT TABLE 1 #1.2 WANG CHEM.PHYS.CHEM. 16 (2015) 2635-2645
HX5ENAL3J=HX5ENAL4J                                    1.72E+06    1.990   27200 !WAGNON1@LLNL.GOV! A*2(DEG) AS 1,2-SHIFT TABLE 1 #1.1 WANG CHEM.PHYS.CHEM. 16 (2015) 2635-2645


HX5ENAL1J=C5H91-5+CO                                   3.47E+12    0.631   27213 !WAGNON1@LLNL.GOV! AS C2H3CO=C2H3+CO TABLE S5 #11 HUYNH 73 (2008) J.ORG.CHEM. 94-101


C2H3CHO+C3H5-A=HX5ENAL2J                               1.56E+03    2.530   11000 !WAGNON1@LLNL.GOV! AS C3H5-A+C3H6=C6H111-5 TABLE 4 WANG PHYS.CHEM.CHEM.PHYS. 17 (2015) 6255-6273


AC3H5CHO+C2H3=HX5ENAL3J                                1.00E+00    0.000       0 !WAGNON1@LLNL.GOV! AS C3H6+C2H3=C5H91-4 AS FIT TO CHEB IN SUPP.MAT. WANG COMBUST.FLAME 162 (2015) 4456-4470
PLOG /  1.00E-03  5.60E+45  -11.811    8785 / !PLOG FROM CHEBYSHEV, 550-2006K; REFIT ABS ERROR: MEDIAN = 19%, MEAN = 23%, MAX = 179% @2006K
PLOG /  1.00E-02  2.41E+55  -14.231   15380 / !PLOG FROM CHEBYSHEV, 550-2006K; REFIT ABS ERROR: MEDIAN = 19%, MEAN = 24%, MAX = 218% @2006K
PLOG /  1.00E-01  1.04E+57  -14.276   18817 / !PLOG FROM CHEBYSHEV, 550-2006K; REFIT ABS ERROR: MEDIAN = 15%, MEAN = 18%, MAX = 151% @2006K
PLOG /  1.00E+00  5.38E+52  -12.607   19568 / !PLOG FROM CHEBYSHEV, 550-2006K; REFIT ABS ERROR: MEDIAN = 9%, MEAN = 11%, MAX = 76% @2006K
PLOG /  1.00E+01  6.83E+43   -9.652   17721 / !PLOG FROM CHEBYSHEV, 550-2006K; REFIT ABS ERROR: MEDIAN = 4%, MEAN = 5%, MAX = 29% @2006K
PLOG /  1.00E+02  2.28E+30   -5.461   12727 / !PLOG FROM CHEBYSHEV, 550-2006K; REFIT ABS ERROR: MEDIAN = 2%, MEAN = 2%, MAX = 8% @550K

HX5ENAL3J=C5H8D14+HCO                                  4.79E+11    0.459   25966 !WAGNON1@LLNL.GOV! AS C3H6CHO-2=C3H6+HCO TABLE S6 #7 HUYNH 73 (2008) J.ORG.CHEM. 94-101


C4H61-3+CH2CHO=HX5ENAL4J                                  1.00E+00    0.000       0 !WAGNON1@LLNL.GOV! AS C4H6+CH3=C5H91-3 AS FIT TO CHEB IN SUPP.MAT. WANG COMBUST.FLAME 162 (2015) 4456-4470
PLOG /  1.00E-03  2.44E+58  -15.433   14520 / !PLOG FROM CHEBYSHEV, 550-2006K; REFIT ABS ERROR: MEDIAN = 23%, MEAN = 30%, MAX = 278% @2006K
PLOG /  1.00E-02  8.47E+59  -15.473   17484 / !PLOG FROM CHEBYSHEV, 550-2006K; REFIT ABS ERROR: MEDIAN = 24%, MEAN = 27%, MAX = 200% @2006K
PLOG /  1.00E-01  7.75E+60  -15.331   20712 / !PLOG FROM CHEBYSHEV, 550-2006K; REFIT ABS ERROR: MEDIAN = 18%, MEAN = 20%, MAX = 152% @2006K
PLOG /  1.00E+00  1.63E+57  -13.848   21765 / !PLOG FROM CHEBYSHEV, 550-2006K; REFIT ABS ERROR: MEDIAN = 9%, MEAN = 12%, MAX = 91% @2006K
PLOG /  1.00E+01  8.13E+47  -10.774   19688 / !PLOG FROM CHEBYSHEV, 550-2006K; REFIT ABS ERROR: MEDIAN = 4%, MEAN = 6%, MAX = 36% @2006K
PLOG /  1.00E+02  1.24E+34   -6.473   14628 / !PLOG FROM CHEBYSHEV, 550-2006K; REFIT ABS ERROR: MEDIAN = 3%, MEAN = 3%, MAX = 8% @550K

!F_ALLYLIC_HO2-ADDITION_________________________________________________________

HX5ENAL4J+HO2=NC6D1KET63O+OH                            1.00E+00    0.000       0 !WAGNON1@LLNL.GOV! A*0.5(DEG) AS C3H5-A+HO2=C3H5O+OH GOLDSMITH PROC.COMBUST.INST. 33 (2011) 273-282
PLOG /  1.00E-01  3.99E+09    0.783   -2330 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 0%, MEAN = 0%, MAX = 2% @551K
PLOG /  1.00E+00  5.05E+12   -0.087     -11 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 2%, MEAN = 2%, MAX = 4% @2000K
PLOG /  1.00E+01  8.05E+17   -1.503    4824 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 1%, MEAN = 1%, MAX = 4% @2000K
PLOG /  1.00E+02  2.41E+17   -1.228    7798 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 7%, MEAN = 7%, MAX = 21% @551K

HX5ENAL4J+HO2=NC6D1KET63                               1.00E+00    0.000       0 !WAGNON1@LLNL.GOV! A*0.5(DEG) AS C3H5-A+HO2=AC3H5OOH GOLDSMITH PROC.COMBUST.INST. 33 (2011) 273-282
PLOG /  1.00E-01  3.05E+17   -3.062   -6394 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 24%, MEAN = 29%, MAX = 176% @2000K
PLOG /  1.00E+00  1.65E+35   -7.872    3123 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 13%, MEAN = 19%, MAX = 204% @2000K
PLOG /  1.00E+01  1.82E+40   -8.906    8118 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 3%, MEAN = 7%, MAX = 73% @2000K
PLOG /  1.00E+02  1.95E+34   -6.795    7654 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 6%, MEAN = 6%, MAX = 16% @551K

!F_ALKYL_O2-ADDITION____________________________________________________________

!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: \HEX5ENAL
!----------------------------------------------------------------------------------------------------------------------------------


!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: \CYHEXENE
!----------------------------------------------------------------------------------------------------------------------------------


!FH_UNIMOLECULAR________________________________________________________________

CYHX1N3J+H=CYCHEXENE                                   1.00E+14    0.000       0 !WAGNON1@LLNL.GOV! ESTIMATE

!FH_ABSTRACTION_________________________________________________________________

!ALLYLIC SITES
CYCHEXENE+O2=CYHX1N3J+HO2                              4.87E+13    0.000   42974 !WAGNON1@LLNL.GOV! A*EXP(-2) FOR ALLYLIC, A=DEG*9E+13, E=DH298+2RT, T=1000K
CYCHEXENE+H=CYHX1N3J+H2                                1.72E+08    1.847    3337 !WAGNON1@LLNL.GOV! A*2(DEG) AS C5H6+H=C5H5+H2 TABLE 6 ROBINSON CNF 158 (2011) 666-686
CYCHEXENE+O=CYHX1N3J+OH                                1.91E+02    3.374     174 !WAGNON1@LLNL.GOV! A*4(DEG)/3 AS C3H6+O=C3H5-A+OH LEONORI J.PHYS.CHEM.C 119 (2015) 14632-14652
CYCHEXENE+OH=CYHX1N3J+H2O                              4.04E+06    2.200    -437 !WAGNON1@LLNL.GOV! A*2(DEG) AS C4H8-1+OH=C4H71-3+H2O VASU JPCA 115 (2011) 2549-2556
CYCHEXENE+HO2=CYHX1N3J+H2O2                            3.54E+05    2.362   12141 !WAGNON1@LLNL.GOV! SUP.MAT. ZADOR JPCA 115 (2011) 10218-10225
CYCHEXENE+CH3=CYHX1N3J+CH4                             1.71E+03    2.930    5240 !WAGNON1@LLNL.GOV! TABLE 1 WANG PHYS.CHEM.CHEM.PHYS. 17 (2015) 6255-6273

!F_ALLYLIC_HO2-ADDITION_________________________________________________________

CYHX1N3J+HO2=CYHX1N3OJ+OH                              1.00E+00    0.000       0 !WAGNON1@LLNL.GOV! AS C3H5-A+HO2=C3H5O+OH GOLDSMITH PROC.COMBUST.INST. 33 (2011) 273-282
PLOG /  1.00E-01  7.98E+09    0.783   -2330 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 0%, MEAN = 0%, MAX = 2% @551K
PLOG /  1.00E+00  1.01E+13   -0.087     -11 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 2%, MEAN = 2%, MAX = 4% @2000K
PLOG /  1.00E+01  1.61E+18   -1.503    4824 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 1%, MEAN = 1%, MAX = 4% @2000K
PLOG /  1.00E+02  4.81E+17   -1.228    7798 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 7%, MEAN = 7%, MAX = 21% @551K

CYHX1N3J+HO2=CYHX1EN3Q                                 1.00E+00    0.000       0 !WAGNON1@LLNL.GOV! AS C3H5-A+HO2=AC3H5OOH GOLDSMITH PROC.COMBUST.INST. 33 (2011) 273-282
PLOG /  1.00E-01  6.09E+17   -3.062   -6394 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 24%, MEAN = 29%, MAX = 176% @2000K
PLOG /  1.00E+00  3.30E+35   -7.872    3123 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 13%, MEAN = 19%, MAX = 204% @2000K
PLOG /  1.00E+01  3.63E+40   -8.906    8118 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 3%, MEAN = 7%, MAX = 73% @2000K
PLOG /  1.00E+02  3.90E+34   -6.795    7654 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 6%, MEAN = 6%, MAX = 16% @551K

CYHX1EN3Q=CYHX1N3OJ+OH                                 1.00E+00    0.000       0 !WAGNON1@LLNL.GOV! AS AC3H5OOH=C3H5O+OH GOLDSMITH PROC.COMBUST.INST. 33 (2011) 273-282
PLOG /  1.00E-01  5.01E+53  -12.285   52661 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 6%, MEAN = 8%, MAX = 56% @2000K
PLOG /  1.00E+00  3.02E+52  -11.592   54256 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 3%, MEAN = 5%, MAX = 30% @2000K
PLOG /  1.00E+01  4.92E+46   -9.608   53425 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 5%, MEAN = 5%, MAX = 15% @551K
PLOG /  1.00E+02  6.01E+36   -6.499   49934 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 7%, MEAN = 7%, MAX = 18% @551K

HX2N1AL6J=CYHX1N3OJ                                    3.54E+10    0.000   11000 !WAGNON1@LLNL.GOV! AS TABLE 10 1,7 EXO WANG PCCP 18 (2016) 8437-8452

CH2CHCHCHO+C2H4=HX2N1AL6J                              1.00E+00    0.000       0 !WAGNON1@LLNL.GOV! AS C3H5-A+C2H4=C5H91-5 AS FIT TO CHEB IN SUPP.MAT. WANG COMBUST.FLAME 162 (2015) 4456-4470
PLOG /  1.00E-03  2.46E+15   -3.011    4973 / !PLOG FROM CHEBYSHEV, 550-2006K; REFIT ABS ERROR: MEDIAN = 14%, MEAN = 14%, MAX = 61% @2006K
PLOG /  1.00E-02  9.12E+20   -4.302    8312 / !PLOG FROM CHEBYSHEV, 550-2006K; REFIT ABS ERROR: MEDIAN = 16%, MEAN = 16%, MAX = 77% @2006K
PLOG /  1.00E-01  7.11E+27   -5.917   13467 / !PLOG FROM CHEBYSHEV, 550-2006K; REFIT ABS ERROR: MEDIAN = 15%, MEAN = 16%, MAX = 82% @2006K
PLOG /  1.00E+00  5.85E+32   -6.931   18346 / !PLOG FROM CHEBYSHEV, 550-2006K; REFIT ABS ERROR: MEDIAN = 12%, MEAN = 13%, MAX = 70% @2006K
PLOG /  1.00E+01  4.50E+32   -6.495   20974 / !PLOG FROM CHEBYSHEV, 550-2006K; REFIT ABS ERROR: MEDIAN = 8%, MEAN = 8%, MAX = 42% @2006K
PLOG /  1.00E+02  5.94E+24   -3.853   19523 / !PLOG FROM CHEBYSHEV, 550-2006K; REFIT ABS ERROR: MEDIAN = 2%, MEAN = 2%, MAX = 10% @2006K

HX2N1AL6J=C6D2Y1-1R                                    2.80E+10    0.000   12580 !WAGNON1@LLNL.GOV! AS 1,6 H-SHIFT MATHEU IJCK 35 (2003) 95-119

C6D2Y1-1R=C5H91-1+CO                                   3.47E+12    0.631   27213 !WAGNON1@LLNL.GOV! AS C2H3CO=C2H3+CO TABLE S5 #11 HUYNH 73 (2008) J.ORG.CHEM. 94-101

HX2N1AL6J+O2=C6Y1D2-6OOJ                               6.87E+16   -1.627     199 !WAGNON1@LLNL.GOV! AS P+O2=PO2 TABLE IV MIYOSHI IJCK 44 (2012) 59-74
C6Y1D2-6OOJ=C6Y1D2-6OO-4J                              1.12E+05    2.005   12132 !WAGNON1@LLNL.GOV! AS TABLE 2 R7 1,5 SHIFT ZHANG JPCA 115 (2011) 655-663
C6Y1D2-6OO-4J+O2=C6D2Y1Q6-4QJ                          9.14E+02    2.179   -2200 !WAGNON1@LLNL.GOV! AS TABLE S2 REACTION AS2 SUP.MAT. YOU J.PHYS.CHEM.A 120 (2016) 5969-5978
C6D2Y1Q6-4QJ=>C6D2Y16Q4+OH                             3.24E+07    1.230   19500 !WAGNON1@LLNL.GOV! E-2KCAL, AS 1-5P RATE RULE VILLANO JCPA 115 (2011) 13425-13442
C6D2Y16Q4=>OVCCVCCVO+CH2CHO+OH                         1.50E+16    0.000   43000 !WAGNON1@LLNL.GOV! ESTIMATE
C6Y1D2-6OO-4J+HO2=>OVCCVCCVO+C2H4O2H+OH                1.00E+00    0.000       0 !WAGNON1@LLNL.GOV! A*0.5(DEG) AS C3H5-A+HO2=C3H5O+OH GOLDSMITH PROC.COMBUST.INST. 33 (2011) 273-282
PLOG /  1.00E-01  3.99E+09    0.783   -2330 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 0%, MEAN = 0%, MAX = 2% @551K
PLOG /  1.00E+00  5.05E+12   -0.087     -11 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 2%, MEAN = 2%, MAX = 4% @2000K
PLOG /  1.00E+01  8.05E+17   -1.503    4824 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 1%, MEAN = 1%, MAX = 4% @2000K
PLOG /  1.00E+02  2.41E+17   -1.228    7798 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 7%, MEAN = 7%, MAX = 21% @551K

!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: \CYHEXENE
!----------------------------------------------------------------------------------------------------------------------------------


!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: NC5H11CHO
!\MECHCOMMENTS: KPS, 22 / 07 / 2015: SHOULD WE INCLUDE PELUCCHI C3-C5 ALDEHYDES NOW, AND UPDATE AS FAR AS C6 / C7 BASED ON HIS RATE RULES>
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
NC5H11CHO+O2<=>NC5H11CO+HO2                       +3.01000000E+013 +0.00000000E+000 +3.91500000E+004 !\Author: WARNING !\Ref: !ANALOGY TO CH3CHO !\Comment: WARNING 
NC5H11CHO+O<=>NC5H11CO+OH                         +5.94000000E+012 +0.00000000E+000 +1.86800000E+003 !\Author: WARNING !\Ref: !ANALOGY TO CH3CHO !\Comment: WARNING 
NC5H11CHO+H<=>NC5H11CO+H2                         +1.31000000E+005 +2.58000000E+000 +1.22000000E+003 !\Author: WARNING !\Ref: !ANALOGY TO CH3CHO !\Comment: WARNING 
NC5H11CHO+OH<=>NC5H11CO+H2O                       +3.37000000E+012 +0.00000000E+000 -6.19000000E+002 !\Author: WARNING !\Ref: !ANALOGY TO CH3CHO !\Comment: WARNING 
NC5H11CHO+HO2<=>NC5H11CO+H2O2                     +3.01000000E+012 +0.00000000E+000 +1.19200000E+004 !\Author: WARNING !\Ref: !ANALOGY TO CH3CHO !\Comment: WARNING 
NC5H11CHO+CH3<=>NC5H11CO+CH4                      +7.08000000E-004 +4.58000000E+000 +1.96600000E+003 !\Author: WARNING !\Ref: !ANALOGY TO CH3CHO !\Comment: WARNING 
NC5H11CHO+CH3O2<=>NC5H11CO+CH3O2H                 +3.01000000E+012 +0.00000000E+000 +1.19200000E+004 !\Author: WARNING !\Ref: !ANALOGY TO CH3CHO !\Comment: WARNING 
NC5H11CHO+OH<=>NC5H10CHO-1+H2O                    +5.52000000E+002 +3.12000000E+000 -1.17600000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H11CHO+HO2<=>NC5H10CHO-1+H2O2                  +3.44000000E+012 +5.00000000E-002 +1.78800000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H11CHO+CH3O2<=>NC5H10CHO-1+CH3O2H              +3.44000000E+012 +5.00000000E-002 +1.78800000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H11CHO+OH<=>NC5H10CHO-2+H2O                    +4.68000000E+007 +1.61000000E+000 -3.50000000E+001 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H11CHO+HO2<=>NC5H10CHO-2+H2O2                  +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H11CHO+CH3O2<=>NC5H10CHO-2+CH3O2H              +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H11CHO+OH<=>NC5H10CHO-3+H2O                    +4.68000000E+007 +1.61000000E+000 -3.50000000E+001 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H11CHO+HO2<=>NC5H10CHO-3+H2O2                  +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H11CHO+CH3O2<=>NC5H10CHO-3+CH3O2H              +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H11CHO+OH<=>NC5H10CHO-4+H2O                    +4.68000000E+007 +1.61000000E+000 -3.50000000E+001 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H11CHO+HO2<=>NC5H10CHO-4+H2O2                  +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H11CHO+CH3O2<=>NC5H10CHO-4+CH3O2H              +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H11CHO+OH<=>NC5H10CHO-5+H2O                    +4.68000000E+007 +1.61000000E+000 -3.50000000E+001 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H11CHO+HO2<=>NC5H10CHO-5+H2O2                  +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H11CHO+CH3O2<=>NC5H10CHO-5+CH3O2H              +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
NC5H11CO<=>C5H11-1+CO                             +1.00000000E+011 +0.00000000E+000 +9.60000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C2H3CHO+NC3H7<=>NC5H10CHO-1                       +1.23000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
HCO+C5H10-1<=>NC5H10CHO-2                         +1.00000000E+011 +0.00000000E+000 +6.00000000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H10CHO-3<=>CH2CHO+C4H8-1                       +7.40000000E+011 +0.00000000E+000 +2.19700000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H10CHO-4<=>CH2CH2CHO+C3H6                      +7.40000000E+011 +0.00000000E+000 +2.19700000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
NC5H10CHO-5<=>C3H6CHO-3+C2H4                      +7.40000000E+011 +0.00000000E+000 +2.19700000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING !ABS_C3H6CHO-1 / C3H6CHO-3 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: NC5H11CHO
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C6H10D13\C6H10D14\C6H10D24
!\MECHCOMMENTS: KPS, 22 / 07 / 2015: REACTIONS MOVED FROM "OTHER DECOMPOSITIONS" PART OF KWS C6 / C7 MECHANISM
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C6H10D13=C4H71-1+C2H3                             +2.50000000E+016 +0.00000000E+000 +1.17987000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D13=C4H5-N+C2H5                              +2.50000000E+016 +0.00000000E+000 +1.03887000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D13=CVCCJCVC+CH3                             +2.50000000E+016 +0.00000000E+000 +7.16870000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D13+H=C6H111-3                               +2.50000000E+011 +5.00000000E-001 +2.62000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D13+H=C6H113-1                               +4.25000000E+011 +5.00000000E-001 +1.23000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D13+H=C6H112-4                               +2.50000000E+011 +5.00000000E-001 +2.62000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D13+O=>C5H91-3+HCO                           +2.00000000E+011 +0.00000000E+000 -1.05000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D13+OH=>C5H91-3+CH2O                         +1.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D13+O2<=>CVCCJCVCC+HO2                       +3.87000000E+001 +3.52000000E+000 +3.62000000E+004 !\Author: WARNING !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C6H10D13+H<=>CVCCJCVCC+H2                         +3.39900000E+005 +2.65300000E+000 +4.86869600E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D13+O<=>CVCCJCVCC+OH                         +9.68000000E-003 +4.54000000E+000 -2.46980000E+003 !\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C6H10D13+OH<=>CVCCJCVCC+H2O                       +4.46000000E+006 +2.07200000E+000 +1.05080000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D13+HO2<=>CVCCJCVCC+H2O2                     +1.72000000E-001 +4.00000000E+000 +1.21030000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C6H10D13+CH3=CVCCJCVCC+CH4                        +8.99000000E+002 +2.84000000E+000 +5.77000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CVCCJCVCC+HO2<=>CVCCVCCOJC+OH                     +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
CVCCVCCOJC<=>CH3CHO+C4H5-N                        +8.52000000E+025 -3.61000000E+000 +2.38634000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325-3346 !\Comment: WARNING 
CVCCVCCOJC<=>CH3+CVCCVCCVO                        +4.38000000E+016 -8.90000000E-001 +1.65300000E+004 !\Author: WARNING !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: C5H9O2-4<=>SC3H5CHO+CH3

!DONG 0605
C6H10D13+O2<=>C6H9-13-2+HO2                       +2.00000000E+013 +0.00000000E+000 +4.98000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D13+H<=>C6H9-13-2+H2                         +5.92500000E+008 +1.61800000E+000 +1.28787820E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D13+O<=>C6H9-13-2+OH                         +1.44000000E+005 +2.61000000E+000 +3.02900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D13+OH<=>C6H9-13-2+H2O                       +1.54000000E+006 +2.07000000E+000 +1.44058000E+003 !\Author: WARNING !\Ref: VASU ET AL. J. PHYS. CHEM. A, 2010, 114, 8312-8318 !\Comment: WARNING 
DUP
C6H10D13+OH<=>C6H9-13-2+H2O                       +1.62000000E+006 +1.99000000E+000 +2.14993000E+003 !\Author: WARNING !\Ref: VASU ET AL. J. PHYS. CHEM. A, 2010, 114, 8312-8318 !\Comment: WARNING 
DUP
C6H10D13+HO2<=>C6H9-13-2+H2O2                     +7.51000000E-003 +4.52000000E+000 +1.47100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D13+CH3<=>C6H9-13-2+CH4                      +5.46000000E+004 +2.54700000E+000 +1.18580000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!
C6H10D13+O2<=>C6H9-13-3+HO2                       +2.00000000E+013 +0.00000000E+000 +4.98000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D13+H<=>C6H9-13-3+H2                         +8.52300000E+008 +1.55800000E+000 +1.36176130E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D13+O<=>C6H9-13-3+OH                         +1.44000000E+005 +2.61000000E+000 +3.02900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D13+OH<=>C6H9-13-3+H2O                       +1.54000000E+006 +2.07000000E+000 +1.44058000E+003 !\Author: WARNING !\Ref: VASU ET AL. J. PHYS. CHEM. A, 2010, 114, 8312-8318 !\Comment: WARNING 
DUP
C6H10D13+OH<=>C6H9-13-3+H2O                       +1.62000000E+006 +1.99000000E+000 +2.14993000E+003 !\Author: WARNING !\Ref: VASU ET AL. J. PHYS. CHEM. A, 2010, 114, 8312-8318 !\Comment: WARNING 
DUP
C6H10D13+HO2<=>C6H9-13-3+H2O2                     +7.51000000E-003 +4.52000000E+000 +1.47100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D13+CH3<=>C6H9-13-3+CH4                      +5.46000000E+004 +2.54700000E+000 +1.18580000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!
C6H9-13-2+O2=>C4H71-1+CH2CO+O                     +1.04000000E-001 +3.80000000E+000 +1.00700000E+004 !\Author: WARNING !\Ref: RUTZ ET AL., JPCA, 2011, 115, 1018-1026. !\Comment: WARNING 
C6H9-13-2+O2<=>C5D2Y1-1R+CH2O                     +2.19000000E+009 +1.08000000E+000 +1.24200000E+004 !\Author: WARNING !\Ref: RUTZ ET AL., JPCA, 2011, 115, 1018-1026. !\Comment: WARNING 
C6H9-13-2+O2<=>C3H6CHO-1+CH2CO                    +1.53000000E+006 +1.71000000E+000 +1.41900000E+004 !\Author: WARNING !\Ref: RUTZ ET AL., JPCA, 2011, 115, 1018-1026. !\Comment: WARNING 
C6H9-13-3+O2=>C2H3+C2H5CHCO+O                     +1.04000000E-001 +3.80000000E+000 +1.00700000E+004 !\Author: WARNING !\Ref: RUTZ ET AL., JPCA, 2011, 115, 1018-1026. !\Comment: WARNING 
C6H9-13-3+O2<=>C2H3CO+C2H5CHO                     +2.19000000E+009 +1.08000000E+000 +1.24200000E+004 !\Author: WARNING !\Ref: RUTZ ET AL., JPCA, 2011, 115, 1018-1026. !\Comment: WARNING 
C6H9-13-3+O2<=>C2H5CHCO+CH2CHO                    +1.53000000E+006 +1.71000000E+000 +1.41900000E+004 !\Author: WARNING !\Ref: RUTZ ET AL., JPCA, 2011, 115, 1018-1026. !\Comment: WARNING 
!
C6H10D13+O2<=>C6H9-13-6+HO2                       +2.10000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D13+H<=>C6H9-13-6+H2                         +5.52400000E+004 +2.80900000E+000 +6.78265000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C6H10D13+O<=>C6H9-13-6+OH                         +5.65000000E+013 +0.00000000E+000 +7.85000000E+003 !\Author: WARNING !\Ref: J. V. MICHAEL, D. G. KEIL, R. B. KLEMM, INT. J. CHEM. KINET., 15, 1983, 705-719 !\Comment: WARNING 
C6H10D13+OH<=>C6H9-13-6+H2O                       +1.36600000E+007 +1.81300000E+000 +8.68400000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D13+HO2<=>C6H9-13-6+H2O2                     +1.04000000E+001 +3.59000000E+000 +1.56000000E+004 !\Author: SD !\Ref: 60% OF NEW RATE !\Comment: WARNING 
C6H10D13+CH3<=>C6H9-13-6+CH4                      +4.52000000E-001 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: W. TSANG, J. PHYS. CHEM. REF. DATA, 17, 1988, 887-951 !\Comment: WARNING 
C6H10D13+CH3O2<=>C6H9-13-6+CH3O2H                 +1.04000000E+001 +3.59000000E+000 +1.76000000E+004 !\Author: SP !\Ref: 60% OF NEW FIT !\Comment: WARNING

!
C6H9-13-6+O2<=>C6H8+HO2                           +1.00000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: !JET SURF 2.0, ADD 2505 KWZ !\Comment: WARNING 
C6H9-13-6+O2<=>C6H9-13-6O2                        +6.86500000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H9-13-6O2<=>C6H8+HO2                            +7.08000000E+005 +2.05000000E+000 +2.46400000E+004 !\Author: SD !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 

C6H9-13-6<=>C6H8+H                                +1.54000000E+013 -5.00000000E-002 +3.56400000E+004 !\Author: SD !\Ref: LI JPCA 121 (2017) 7433-7445 !\Comment: HPL
C6H9-13-6<=>C4H5-N+C2H4                           +5.48000000E+020 -2.15000000E+000 +4.20700000E+004 !\Author: SD !\Ref: LI JPCA 121 (2017) 7433-7445 !\Comment: HPL

!DONG 0311, NEED TO CHECK
!DONG 0311!!HX13EN6J DECOMPOSITION (AND ALTERNATIVE PATHS) SHOULD BE MOVED TO C6H10 SUBMECH
!DONG 0311!C2H4+C4H5-N=C6H9-13-6                                   2.00E+11    0.000    2010 ! ADDITION OF C2H3 (VINYLIC TYPE RAD) TO C OF C=C
!

C6H10D14=C4H71-3+C2H3                             +2.50000000E+016 +0.00000000E+000 +8.85870000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D14=C3H5-A+C3H5-S                            +2.50000000E+016 +0.00000000E+000 +8.85870000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D14=C5H7-14-1+CH3                            +2.50000000E+016 +0.00000000E+000 +1.04087000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D14+H=C6H111-4                               +2.50000000E+011 +5.00000000E-001 +2.62000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D14+H=C6H111-5                               +2.50000000E+011 +5.00000000E-001 +2.62000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0824!C6H10D14+H=C6H112-5                               +4.25000000E+011 +5.00000000E-001 +1.23000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D14+H=C6H112-5                               +2.77224587E+012 +4.35370677E-001 +2.47472339E+003 !\Author: SD !\Ref: WARNING !\Comment: HPL, C5H10-1+H<=>C5H11-2 

C6H10D14+H=C6H112-6                               +2.50000000E+011 +5.00000000E-001 +2.62000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D14+O=>C5H92-5+HCO                           +2.00000000E+011 +0.00000000E+000 -1.05000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D14+OH=>C5H92-5+CH2O                         +1.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D14+O2<=>CVCCJCVCC+HO2                       +3.87000000E+001 +3.52000000E+000 +3.62000000E+004 !\Author: WARNING !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C6H10D14+H<=>CVCCJCVCC+H2                         +3.39900000E+005 +2.65300000E+000 +4.86869600E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D14+O<=>CVCCJCVCC+OH                         +9.68000000E-003 +4.54000000E+000 -2.46980000E+003 !\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C6H10D14+OH<=>CVCCJCVCC+H2O                       +4.46000000E+006 +2.07200000E+000 +1.05080000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D14+HO2<=>CVCCJCVCC+H2O2                     +1.72000000E-001 +4.00000000E+000 +1.21030000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C6H10D14+CH3=CVCCJCVCC+CH4                        +8.99000000E+002 +2.84000000E+000 +5.77000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CVCCJCVCC+HO2<=>CVCCOJCVCC+OH                     +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
CVCCOJCVCC<=>C2H3CHO+C3H5-S                       +3.92000000E+028 -4.66100000E+000 +2.76430000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +6.06000000E+016 -2.10600000E+000 +2.04360000E+004 /
PLOG /                           +1.00000000E+000 +3.16000000E+017 -2.02600000E+000 +2.05880000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+022 -3.17600000E+000 +2.29930000E+004 /
PLOG /                           +1.00000000E+002 +3.92000000E+028 -4.66100000E+000 +2.76430000E+004 /
CVCCOJCVCC<=>C2H3+SC3H5CHO                        +3.92000000E+028 -4.66100000E+000 +2.76430000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +6.06000000E+016 -2.10600000E+000 +2.04360000E+004 /
PLOG /                           +1.00000000E+000 +3.16000000E+017 -2.02600000E+000 +2.05880000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+022 -3.17600000E+000 +2.29930000E+004 /
PLOG /                           +1.00000000E+002 +3.92000000E+028 -4.66100000E+000 +2.76430000E+004 /

!DONG 0923
CVCCJCVCC+HO2<=>COOHCVCCVCC                       +7.20000000E+031 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: C5H91-3+HO2<=>C5H92-1OOH 
PLOG /                           +1.00000000E-002 +9.55000000E+030 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +3.15500000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +5.15000000E+044 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +1.39500000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +7.20000000E+031 -6.01000000E+000 +6.05360000E+003 /
CVCCJCVCC+HO2<=>COJCVCCVCC+OH                     +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: C5H91-3+HO2<=>C5H9O2-1+OH
PLOG /                           +1.00000000E-002 +5.10000000E+012 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +2.49000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +3.88500000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +1.46500000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 /
COOHCVCCVCC<=>COJCVCCVCC+OH                       +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: C5H92-1OOH<=>C5H9O2-1+OH
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
!DONG 0311
COJCVCCVCC<=>CH2O+P13DE1J                         +8.52000000E+025 -3.61000000E+000 +2.78634000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325-3346 !\Comment: C5H9O2-1<=>CH2O+C4H71-1

C6H10D24+O2<=>CVCCJCVCC+HO2                       +7.74000000E+001 +3.52000000E+000 +3.62000000E+004 !*2.0\Author: WARNING !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C6H10D24+H<=>CVCCJCVCC+H2                         +6.79800000E+005 +2.65300000E+000 +4.86869600E+003 !*2.0\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D24+O<=>CVCCJCVCC+OH                         +1.93600000E-002 +4.54000000E+000 -2.46980000E+003 !*2.0\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C6H10D24+OH<=>CVCCJCVCC+H2O                       +8.92000000E+006 +2.07200000E+000 +1.05080000E+003 !*2.0\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H10D24+HO2<=>CVCCJCVCC+H2O2                     +3.44000000E-001 +4.00000000E+000 +1.21030000E+004 !*2.0\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C6H10D24+CH3<=>CVCCJCVCC+CH4                      +1.79800000E+003 +2.84000000E+000 +5.77000000E+003 !*2.0\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

C6H10D24=P13DE1J+CH3                              +4.30000000E+064 -1.33700000E+001 +1.34540000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.76000000E+078 -1.87200000E+001 +1.29850000E+005 /
PLOG /                           +1.00000000E-002 +3.38000000E+059 -1.36100000E+001 +1.13290000E+005 /
PLOG /                           +1.00000000E-001 +1.75000000E+077 -1.78900000E+001 +1.31540000E+005 /
PLOG /                           +1.00000000E-001 +4.00000000E+060 -1.36600000E+001 +1.14890000E+005 /
PLOG /                           +1.00000000E+000 +1.16000000E+076 -1.71700000E+001 +1.34430000E+005 /
PLOG /                           +1.00000000E+000 +1.34000000E+055 -1.17900000E+001 +1.13840000E+005 /
PLOG /                           +1.00000000E+001 +1.62000000E+072 -1.57500000E+001 +1.35960000E+005 /
PLOG /                           +1.00000000E+001 +2.12000000E+047 -9.27000000E+000 +1.11510000E+005 /
PLOG /                           +1.00000000E+002 +4.30000000E+064 -1.33700000E+001 +1.34540000E+005 /
PLOG /                           +1.00000000E+002 +1.46000000E+039 -6.70000000E+000 +1.08740000E+005 /
C6H10D24=C3H5-S+C3H5-S                            +1.35000000E+072 -1.65500000E+001 +1.43400000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +3.95000000E-002 +2.34000000E+074 -1.76900000E+001 +1.40800000E+005 /
PLOG /                           +7.89000000E-002 +2.29000000E+074 -1.75100000E+001 +1.42100000E+005 /
PLOG /                           +1.58000000E-001 +4.37000000E+073 -1.71300000E+001 +1.42900000E+005 /
PLOG /                           +3.16000000E-001 +1.35000000E+072 -1.65500000E+001 +1.43400000E+005 /
!DONG 0824!C6H10D24+H=C6H112-5                               +2.50000000E+011 +5.00000000E-001 +2.62000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H112-5<=>C6H10D24+H                             +2.28419787E+020 -2.21376206E+000 +3.94372469E+004 !\Author: WARNING !\Ref: WARNING !\Comment: HPL, C5H91-4<=>C5H81-3+H 
!
C6H10D24+H=C6H112-4                               +2.50000000E+011 +5.00000000E-001 +2.62000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H2+C3H5-S=P13DE1J                               +3.19000000E+010 +0.00000000E+000 +6.95500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C6H10D13\C6H10D14\C6H10D24
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C6H10-15
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C3H5-A+C3H5-A(+M)<=>C6H101-5(+M)                  2.58E+13	-0.12	-310!\Author: sp !\Ref: fitt !\Comment: WARNING
LOW /                                             1.03E+67	-1.54E+01	1.03E+02 /
TROE /                           +1.00E+02	1.00E-30	1.00E+02	2.10E+03/
AR / +0.7000 / CO / +1.5000 / CH4 / +2.0000 / H2 / +2.0000 / CO2 / +2.0000 / C2H6 / +3.0000 / H2O / +6.0000 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C6H101-5+H<=>C6H9-A+H2                            +6.75200000E+005 +2.36000000E+000 +2.07000000E+002 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C6H101-5+O2<=>C6H9-A+HO2                          +4.00000000E+014 +0.00000000E+000 +3.88900000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C6H101-5+O=C6H9-A+OH                              +1.32000000E+006 +2.43000000E+000 +1.21000000E+003 !\Author: SP !\Ref: LLNL !\Comment: WARNING 
C6H101-5+OH=C6H9-A+H2O                            +4.04000000E+006 +2.20000000E+000 -4.37000000E+002 !\Author: SP !\Ref: LLNL !\Comment: WARNING 
C6H101-5+CH3=C6H9-A+CH4                           +7.38000000E+000 +3.31000000E+000 +4.00200000E+003 !\Author: SP !\Ref: LLNL !\Comment: WARNING 
C6H101-5+HO2=C6H9-A+H2O2                          +1.56000000E+000 +3.97000000E+000 +1.17020000E+004 !\Author: SP !\Ref: LLNL !A*2 FROM C4H8-1+HO2 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONH
!___________________________________________________________________________________________________________ 
C6H101-5+H=>C3H4-A+C3H5-A+H2                      +1.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C6H101-5+H<=>C3H5-A+C3H6                          +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!DONG 0613!O2+ETES1=>HO2+C2H3COCH3+C2H3                      +2.04000000E+007 +2.00000000E+000 +4.07220000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!H+ETES1=>H2+C2H3COCH3+C2H3                        +2.57000000E+007 +2.00000000E+000 +3.95100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!OH+ETES1=>H2O+C2H3COCH3+C2H3                      +4.79000000E+006 +2.00000000E+000 -2.26000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!O+ETES1=>OH+C2H3COCH3+C2H3                        +1.62000000E+007 +2.00000000E+000 +2.58000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!HO2+ETES1=>H2O2+C2H3COCH3+C2H3                    +6.46000000E+005 +2.00000000E+000 +1.18880000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!HCO+ETES1=>CH2O+C2H3COCH3+C2H3                    +1.52000000E+006 +2.00000000E+000 +1.23600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!CH3+ETES1=>CH4+C2H3COCH3+C2H3                     +4.68000000E+005 +2.00000000E+000 +4.87100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!C2H5+ETES1=>C2H6+C2H3COCH3+C2H3                   +2.76000000E+005 +2.00000000E+000 +7.65800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!CH3O+ETES1=>CH3OH+C2H3COCH3+C2H3                  +5.14000000E+005 +2.00000000E+000 +1.58400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!CH3O2+ETES1=>CH3O2H+C2H3COCH3+C2H3                +9.13000000E+005 +2.00000000E+000 +1.23600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!O2+MVOX=>HO2+C2H3COCH3+C2H3                       +2.04000000E+007 +2.00000000E+000 +4.07220000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!H+MVOX=>H2+C2H3COCH3+C2H3                         +2.57000000E+007 +2.00000000E+000 +3.95100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!OH+MVOX=>H2O+C2H3COCH3+C2H3                       +4.79000000E+006 +2.00000000E+000 -2.26000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!O+MVOX=>OH+C2H3COCH3+C2H3                         +1.62000000E+007 +2.00000000E+000 +2.58000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!HO2+MVOX=>H2O2+C2H3COCH3+C2H3                     +6.46000000E+005 +2.00000000E+000 +1.18880000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!HCO+MVOX=>CH2O+C2H3COCH3+C2H3                     +1.52000000E+006 +2.00000000E+000 +1.23600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!CH3+MVOX=>CH4+C2H3COCH3+C2H3                      +4.68000000E+005 +2.00000000E+000 +4.87100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!C2H5+MVOX=>C2H6+C2H3COCH3+C2H3                    +2.76000000E+005 +2.00000000E+000 +7.65800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!CH3O2+MVOX=>CH3O2H+C2H3COCH3+C2H3                 +9.13000000E+005 +2.00000000E+000 +1.23600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!C2H3+MVOX=>C2H4+C2H3COCH3+C2H3                    +8.14000000E+005 +2.00000000E+000 +4.87100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!CH3O+MVOX=>CH3OH+C2H3COCH3+C2H3                   +5.14000000E+005 +2.00000000E+000 +1.58400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!O2+VTHF=>HO2+C2H3COCH3+C2H3                       +2.04000000E+007 +2.00000000E+000 +4.07220000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!H+VTHF=>H2+C2H3COCH3+C2H3                         +2.57000000E+007 +2.00000000E+000 +3.95100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!OH+VTHF=>H2O+C2H3COCH3+C2H3                       +4.79000000E+006 +2.00000000E+000 -2.26000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!O+VTHF=>OH+C2H3COCH3+C2H3                         +1.62000000E+007 +2.00000000E+000 +2.58000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!HO2+VTHF=>H2O2+C2H3COCH3+C2H3                     +6.46000000E+005 +2.00000000E+000 +1.18880000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!HCO+VTHF=>CH2O+C2H3COCH3+C2H3                     +1.52000000E+006 +2.00000000E+000 +1.23600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!CH3+VTHF=>CH4+C2H3COCH3+C2H3                      +4.68000000E+005 +2.00000000E+000 +4.87100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!C2H5+VTHF=>C2H6+C2H3COCH3+C2H3                    +2.76000000E+005 +2.00000000E+000 +7.65800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!CH3O+VTHF=>CH3OH+C2H3COCH3+C2H3                   +5.14000000E+005 +2.00000000E+000 +1.58400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!CH3O2+VTHF=>CH3O2H+C2H3COCH3+C2H3                 +9.13000000E+005 +2.00000000E+000 +1.23600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!C2H3+VTHF=>C2H4+C2H3COCH3+C2H3                    +8.14000000E+005 +2.00000000E+000 +4.87100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!O2+EDHF=>HO2+C2H3COCH3+C2H3                       +2.04000000E+007 +2.00000000E+000 +4.07220000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!H+EDHF=>H2+C2H3COCH3+C2H3                         +2.57000000E+007 +2.00000000E+000 +3.95100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!OH+EDHF=>H2O+C2H3COCH3+C2H3                       +4.79000000E+006 +2.00000000E+000 -2.26000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!O+EDHF=>OH+C2H3COCH3+C2H3                         +1.62000000E+007 +2.00000000E+000 +2.58000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!HO2+EDHF=>H2O2+C2H3COCH3+C2H3                     +6.46000000E+005 +2.00000000E+000 +1.18880000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!HCO+EDHF=>CH2O+C2H3COCH3+C2H3                     +1.52000000E+006 +2.00000000E+000 +1.23600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!CH3+EDHF=>CH4+C2H3COCH3+C2H3                      +4.68000000E+005 +2.00000000E+000 +4.87100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!C2H5+EDHF=>C2H6+C2H3COCH3+C2H3                    +2.76000000E+005 +2.00000000E+000 +7.65800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!C2H3+EDHF=>C2H4+C2H3COCH3+C2H3                    +8.14000000E+005 +2.00000000E+000 +4.87100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!CH3O2+EDHF=>CH3O2H+C2H3COCH3+C2H3                 +9.13000000E+005 +2.00000000E+000 +1.23600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0613!CH3O+EDHF=>CH3OH+C2H3COCH3+C2H3                   +5.14000000E+005 +2.00000000E+000 +1.58400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H9-A+HO2=>C3H5-A+C2H3CHO+OH                     +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
C6H9-A+HO2=C6H9-AOOH                              +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.91000000E+031 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +6.31000000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +1.03000000E+045 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +2.79000000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 /
C6H9-AOOH=>C3H5-A+C2H3CHO+OH                      +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
IC6-1+H=IC6                                       +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2+H=IC6                                       +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3+H=IC6                                       +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4+H=IC6                                       +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5+H=IC6                                       +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H11-2+CH3=IC6                                   +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7+IC3H7=IC6                                   +8.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H9+C2H5=IC6                                    +8.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DC5H11+CH3=IC6                                    +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+H=IC6-1+H2                                    +3.49000000E+005 +2.69000000E+000 +6.45000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+H=IC6-2+H2                                    +6.02000000E+005 +2.40000000E+000 +2.58300000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+H=IC6-3+H2                                    +1.30000000E+006 +2.40000000E+000 +4.47100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+H=IC6-4+H2                                    +1.30000000E+006 +2.40000000E+000 +4.47100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+H=IC6-5+H2                                    +1.74500000E+005 +2.69000000E+000 +6.45000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+O=IC6-1+OH                                    +1.13000000E+014 +0.00000000E+000 +7.85000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+O=IC6-2+OH                                    +3.97000000E+005 +2.40100000E+000 +1.15000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+O=IC6-3+OH                                    +2.81000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+O=IC6-4+OH                                    +2.81000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+O=IC6-5+OH                                    +5.65000000E+013 +0.00000000E+000 +7.85000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+OH=IC6-1+H2O                                  +3.35000000E+006 +2.07800000E+000 +3.75600000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+OH=IC6-2+H2O                                  +7.00000000E+010 +5.76000000E-001 -6.96000000E+001 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+OH=IC6-3+H2O                                  +5.62000000E+011 +3.20000000E-001 +8.46500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+OH=IC6-4+H2O                                  +7.05100000E+009 +9.35000000E-001 +5.04700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+OH=IC6-5+H2O                                  +1.36500000E+007 +1.81300000E+000 +8.68400000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+CH3=IC6-1+CH4                                 +9.04000000E-001 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+CH3=IC6-2+CH4                                 +6.01000000E-010 +6.36000000E+000 +8.93000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+CH3=IC6-3+CH4                                 +1.51000000E+000 +3.46000000E+000 +5.48100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+CH3=IC6-4+CH4                                 +1.51000000E+000 +3.46000000E+000 +5.48100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+CH3=IC6-5+CH4                                 +4.52000000E-001 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+HO2=IC6-1+H2O2                                +2.08000000E+001 +3.59000000E+000 +1.56000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+HO2=IC6-2+H2O2                                +6.50000000E+002 +3.01000000E+000 +1.20900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+HO2=IC6-3+H2O2                                +6.32000000E+001 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+HO2=IC6-4+H2O2                                +6.32000000E+001 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+HO2=IC6-5+H2O2                                +1.04000000E+001 +3.59000000E+000 +1.56000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+CH3O2=IC6-1+CH3O2H                            +1.39000000E+000 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+CH3O2=IC6-2+CH3O2H                            +2.62000000E+002 +3.12000000E+000 +1.11000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+CH3O2=IC6-3+CH3O2H                            +1.02000000E+001 +3.58000000E+000 +1.48100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+CH3O2=IC6-4+CH3O2H                            +1.02000000E+001 +3.58000000E+000 +1.48100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+CH3O2=IC6-5+CH3O2H                            +6.95000000E-001 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+CH3O=IC6-1+CH3OH                              +4.34000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+CH3O=IC6-2+CH3OH                              +1.90000000E+010 +0.00000000E+000 +2.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+CH3O=IC6-3+CH3OH                              +1.45000000E+011 +0.00000000E+000 +4.57100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+CH3O=IC6-4+CH3OH                              +1.45000000E+011 +0.00000000E+000 +4.57100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+CH3O=IC6-5+CH3OH                              +2.17000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+O2=IC6-1+HO2                                  +4.20000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+O2=IC6-2+HO2                                  +7.00000000E+012 +0.00000000E+000 +4.80000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+O2=IC6-3+HO2                                  +1.40000000E+013 +0.00000000E+000 +5.01600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+O2=IC6-4+HO2                                  +1.40000000E+013 +0.00000000E+000 +5.01600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+O2=IC6-5+HO2                                  +2.10000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+C2H5=IC6-1+C2H6                               +1.00000000E+011 +0.00000000E+000 +1.34000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+C2H5=IC6-2+C2H6                               +1.00000000E+011 +0.00000000E+000 +7.90000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+C2H5=IC6-3+C2H6                               +5.00000000E+010 +0.00000000E+000 +1.04000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+C2H5=IC6-4+C2H6                               +5.00000000E+010 +0.00000000E+000 +1.04000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+C2H5=IC6-5+C2H6                               +5.00000000E+010 +0.00000000E+000 +1.34000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+C2H3=IC6-1+C2H4                               +1.00000000E+012 +0.00000000E+000 +1.80000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+C2H3=IC6-2+C2H4                               +2.00000000E+011 +0.00000000E+000 +1.43000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+C2H3=IC6-3+C2H4                               +4.00000000E+011 +0.00000000E+000 +1.68000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+C2H3=IC6-4+C2H4                               +4.00000000E+011 +0.00000000E+000 +1.68000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+C2H3=IC6-5+C2H4                               +5.00000000E+011 +0.00000000E+000 +1.80000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+O2CHO=IC6-1+HO2CHO                            +1.39000000E+000 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+O2CHO=IC6-2+HO2CHO                            +2.62000000E+002 +3.12000000E+000 +1.11000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+O2CHO=IC6-3+HO2CHO                            +1.02000000E+001 +3.58000000E+000 +1.48100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+O2CHO=IC6-4+HO2CHO                            +1.02000000E+001 +3.58000000E+000 +1.48100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6+O2CHO=IC6-5+HO2CHO                            +6.95000000E-001 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-1=C3H6+NC3H7                                  +3.74900000E+015 -6.10000000E-001 +2.97123000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-1=C5H10-1+CH3                                 +1.23400000E+013 +3.50000000E-001 +3.10782000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2=IC4H8+C2H5                                  +1.05100000E+013 +1.20000000E-001 +2.76268000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3=C5H10-2+CH3                                 +5.28800000E+012 +3.70000000E-001 +3.11294000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3=CC5H10+CH3                                  +2.16400000E+010 +1.11000000E+000 +2.98996000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4=C3H6+IC3H7                                  +8.10800000E+014 -3.50000000E-001 +2.69538000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5=IC4H9+C2H4                                  +2.01800000E+014 -2.30000000E-001 +2.97273000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-1+O2=IC6D1+HO2                                +4.02400000E+000 +3.32000000E+000 +1.08570000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2+O2=IC6D1+HO2                                +5.28900000E+001 +3.23000000E+000 +1.05918000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2+O2=IC6D2+HO2                                +8.04700000E+000 +3.32000000E+000 +1.28572000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3+O2=IC6D2+HO2                                +4.02400000E+000 +3.32000000E+000 +1.08570000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3+O2=IC6D3+HO2                                +8.04700000E+000 +3.32000000E+000 +1.28572000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4+O2=IC6D3+HO2                                +8.04700000E+000 +3.32000000E+000 +1.28572000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4+O2=IC6D4+HO2                                +2.64500000E+001 +3.23000000E+000 +1.05918000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5+O2=IC6D4+HO2                                +8.04700000E+000 +3.32000000E+000 +1.28572000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-1=IC6-4                                       +2.00000000E+011 +0.00000000E+000 +1.81000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-1=IC6-5                                       +3.00000000E+011 +0.00000000E+000 +1.41000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2=IC6-5                                       +3.00000000E+011 +0.00000000E+000 +2.11000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+OH=IC6D1-1A+H2O                             +3.12000000E+006 +2.00000000E+000 -2.98000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+OH=IC6D1-3+H2O                              +2.76000000E+004 +2.64000000E+000 -1.91900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+OH=IC6D1-4+H2O                              +7.05100000E+009 +9.35000000E-001 +5.04700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+OH=IC6D1-5+H2O                              +1.36500000E+007 +1.81300000E+000 +8.68400000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2+OH=IC6D1-3+H2O                              +6.24000000E+006 +2.00000000E+000 -2.98000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2+OH=IC6D3-2+H2O                              +2.76000000E+004 +2.64000000E+000 -1.91900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2+OH=IC6D2-5+H2O                              +1.36500000E+007 +1.81300000E+000 +8.68400000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3+OH=IC6D3-1+H2O                              +3.35000000E+006 +2.07800000E+000 +3.75600000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3+OH=IC6D3-2+H2O                              +6.14000000E+002 +3.20000000E+000 -3.50000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3+OH=IC6D4-3+H2O                              +3.12000000E+006 +2.00000000E+000 -2.98000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4+OH=IC6D4-1+H2O                              +3.35000000E+006 +2.07800000E+000 +3.75600000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4+OH=IC6D4-2+H2O                              +7.00000000E+010 +5.76000000E-001 -6.96000000E+001 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4+OH=IC6D4-3+H2O                              +2.76000000E+004 +2.64000000E+000 -1.91900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+H=IC6D1-1A+H2                               +1.73000000E+005 +2.50000000E+000 +2.49200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+H=IC6D1-3+H2                                +3.38000000E+005 +2.36000000E+000 +2.07000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+H=IC6D1-4+H2                                +1.30000000E+006 +2.40000000E+000 +4.47100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+H=IC6D1-5+H2                                +1.74500000E+005 +2.69000000E+000 +6.45000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2+H=IC6D1-3+H2                                +3.46000000E+005 +2.50000000E+000 +2.49200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2+H=IC6D3-2+H2                                +3.38000000E+005 +2.36000000E+000 +2.07000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2+H=IC6D2-5+H2                                +1.74500000E+005 +2.69000000E+000 +6.45000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3+H=IC6D3-1+H2                                +3.49000000E+005 +2.69000000E+000 +6.45000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3+H=IC6D3-2+H2                                +2.65000000E+006 +2.20000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3+H=IC6D4-3+H2                                +1.73000000E+005 +2.50000000E+000 +2.49200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4+H=IC6D4-1+H2                                +3.49000000E+005 +2.69000000E+000 +6.45000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4+H=IC6D4-2+H2                                +6.02000000E+005 +2.40000000E+000 +2.58300000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4+H=IC6D4-3+H2                                +3.38000000E+005 +2.36000000E+000 +2.07000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+O=IC6D1-1A+OH                               +4.41000000E+005 +2.42000000E+000 +3.15000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+O=IC6D1-3+OH                                +6.60000000E+005 +2.43000000E+000 +1.21000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+O=IC6D1-4+OH                                +2.81000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+O=IC6D1-5+OH                                +5.65000000E+013 +0.00000000E+000 +7.85000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2+O=IC6D1-3+OH                                +8.82000000E+005 +2.42000000E+000 +3.15000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2+O=IC6D3-2+OH                                +6.60000000E+005 +2.43000000E+000 +1.21000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2+O=IC6D2-5+OH                                +5.65000000E+013 +0.00000000E+000 +7.85000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3+O=IC6D3-1+OH                                +1.13000000E+014 +0.00000000E+000 +7.85000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3+O=IC6D3-2+OH                                +3.30000000E+005 +2.43000000E+000 -7.90000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3+O=IC6D4-3+OH                                +4.41000000E+005 +2.42000000E+000 +3.15000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4+O=IC6D4-1+OH                                +1.13000000E+014 +0.00000000E+000 +7.85000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4+O=IC6D4-2+OH                                +3.97000000E+005 +2.40100000E+000 +1.15000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4+O=IC6D4-3+OH                                +6.60000000E+005 +2.43000000E+000 +1.21000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+O2=IC6D1-1A+HO2                             +3.30000000E+012 +0.00000000E+000 +3.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+O2=IC6D1-3+HO2                              +2.20000000E+012 +0.00000000E+000 +3.72200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+O2=IC6D1-4+HO2                              +1.40000000E+013 +0.00000000E+000 +5.01600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+O2=IC6D1-5+HO2                              +2.10000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2+O2=IC6D1-3+HO2                              +6.60000000E+012 +0.00000000E+000 +3.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2+O2=IC6D3-2+HO2                              +2.20000000E+012 +0.00000000E+000 +3.72200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2+O2=IC6D2-5+HO2                              +2.10000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3+O2=IC6D3-1+HO2                              +4.20000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3+O2=IC6D3-2+HO2                              +1.10000000E+012 +0.00000000E+000 +3.52200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3+O2=IC6D4-3+HO2                              +3.30000000E+012 +0.00000000E+000 +3.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4+O2=IC6D4-1+HO2                              +4.20000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4+O2=IC6D4-2+HO2                              +7.00000000E+012 +0.00000000E+000 +4.80000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4+O2=IC6D4-3+HO2                              +2.20000000E+012 +0.00000000E+000 +3.72200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+HO2=IC6D1-1A+H2O2                           +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+HO2=IC6D1-3+H2O2                            +4.82000000E+003 +2.55000000E+000 +1.05300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+HO2=IC6D1-4+H2O2                            +9.48000000E+001 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+HO2=IC6D1-5+H2O2                            +2.04000000E+001 +3.59000000E+000 +1.71600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2+HO2=IC6D1-3+H2O2                            +1.92800000E+004 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2+HO2=IC6D3-2+H2O2                            +4.82000000E+003 +2.55000000E+000 +1.05300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2+HO2=IC6D2-5+H2O2                            +2.04000000E+001 +3.59000000E+000 +1.71600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3+HO2=IC6D3-1+H2O2                            +4.08000000E+001 +3.59000000E+000 +1.71600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3+HO2=IC6D3-2+H2O2                            +1.81000000E+003 +2.50000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3+HO2=IC6D4-3+H2O2                            +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4+HO2=IC6D4-1+H2O2                            +4.08000000E+001 +3.59000000E+000 +1.71600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4+HO2=IC6D4-2+H2O2                            +6.50000000E+002 +3.01000000E+000 +1.20900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4+HO2=IC6D4-3+H2O2                            +4.82000000E+003 +2.55000000E+000 +1.05300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+CH3=IC6D1-1A+CH4                            +2.21000000E+000 +3.50000000E+000 +5.67500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+CH3=IC6D1-3+CH4                             +3.69000000E+000 +3.31000000E+000 +4.00200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+CH3=IC6D1-4+CH4                             +1.51000000E+000 +3.46000000E+000 +5.48100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+CH3=IC6D1-5+CH4                             +4.52000000E-001 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2+CH3=IC6D1-3+CH4                             +4.42000000E+000 +3.50000000E+000 +5.67500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2+CH3=IC6D3-2+CH4                             +3.69000000E+000 +3.31000000E+000 +4.00200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2+CH3=IC6D2-5+CH4                             +4.52000000E-001 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3+CH3=IC6D3-1+CH4                             +9.04000000E-001 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3+CH3=IC6D3-2+CH4                             +4.61000000E+000 +3.10000000E+000 +2.33000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3+CH3=IC6D4-3+CH4                             +2.21000000E+000 +3.50000000E+000 +5.67500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4+CH3=IC6D4-1+CH4                             +9.04000000E-001 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4+CH3=IC6D4-2+CH4                             +6.01000000E-010 +6.36000000E+000 +8.93000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4+CH3=IC6D4-3+CH4                             +3.69000000E+000 +3.31000000E+000 +4.00200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+CH3O=IC6D1-1A+CH3OH                         +9.00000000E+001 +2.95000000E+000 +1.19900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+CH3O=IC6D1-3+CH3OH                          +4.00000000E+001 +2.90000000E+000 +8.60900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+CH3O=IC6D1-4+CH3OH                          +1.45000000E+011 +0.00000000E+000 +4.57100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+CH3O=IC6D1-5+CH3OH                          +2.17000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2+CH3O=IC6D1-3+CH3OH                          +1.80000000E+002 +2.95000000E+000 +1.19900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2+CH3O=IC6D3-2+CH3OH                          +4.00000000E+001 +2.90000000E+000 +8.60900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2+CH3O=IC6D2-5+CH3OH                          +2.17000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3+CH3O=IC6D3-1+CH3OH                          +4.34000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3+CH3O=IC6D3-2+CH3OH                          +1.00000000E+001 +2.85000000E+000 +5.23100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3+CH3O=IC6D4-3+CH3OH                          +9.00000000E+001 +2.95000000E+000 +1.19900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4+CH3O=IC6D4-1+CH3OH                          +4.34000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4+CH3O=IC6D4-2+CH3OH                          +1.90000000E+010 +0.00000000E+000 +2.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4+CH3O=IC6D4-3+CH3OH                          +4.00000000E+001 +2.90000000E+000 +8.60900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+CH3O2=IC6D1-1A+CH3O2H                       +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+CH3O2=IC6D1-3+CH3O2H                        +4.82000000E+003 +2.55000000E+000 +1.05300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+CH3O2=IC6D1-4+CH3O2H                        +1.02000000E+001 +3.58000000E+000 +1.48100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+CH3O2=IC6D1-5+CH3O2H                        +6.95000000E-001 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2+CH3O2=IC6D1-3+CH3O2H                        +1.92800000E+004 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2+CH3O2=IC6D3-2+CH3O2H                        +4.82000000E+003 +2.55000000E+000 +1.05300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2+CH3O2=IC6D2-5+CH3O2H                        +6.95000000E-001 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3+CH3O2=IC6D3-1+CH3O2H                        +1.39000000E+000 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3+CH3O2=IC6D3-2+CH3O2H                        +1.81000000E+003 +2.50000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3+CH3O2=IC6D4-3+CH3O2H                        +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4+CH3O2=IC6D4-1+CH3O2H                        +1.39000000E+000 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4+CH3O2=IC6D4-2+CH3O2H                        +2.62000000E+002 +3.12000000E+000 +1.11000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4+CH3O2=IC6D4-3+CH3O2H                        +4.82000000E+003 +2.55000000E+000 +1.05300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+O2CHO=IC6D1-1A+HO2CHO                       +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+O2CHO=IC6D1-3+HO2CHO                        +4.82000000E+003 +2.55000000E+000 +1.05300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+O2CHO=IC6D1-4+HO2CHO                        +1.02000000E+001 +3.58000000E+000 +1.48100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+O2CHO=IC6D1-5+HO2CHO                        +6.95000000E-001 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2+O2CHO=IC6D1-3+HO2CHO                        +1.92800000E+004 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2+O2CHO=IC6D3-2+HO2CHO                        +4.82000000E+003 +2.55000000E+000 +1.05300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2+O2CHO=IC6D2-5+HO2CHO                        +6.95000000E-001 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3+O2CHO=IC6D3-1+HO2CHO                        +1.39000000E+000 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3+O2CHO=IC6D3-2+HO2CHO                        +1.81000000E+003 +2.50000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3+O2CHO=IC6D4-3+HO2CHO                        +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4+O2CHO=IC6D4-1+HO2CHO                        +1.39000000E+000 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4+O2CHO=IC6D4-2+HO2CHO                        +2.62000000E+002 +3.12000000E+000 +1.11000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4+O2CHO=IC6D4-3+HO2CHO                        +4.82000000E+003 +2.55000000E+000 +1.05300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-1=IC6D1+H                                     +5.00000000E+012 +0.00000000E+000 +4.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2=IC6D1+H                                     +5.00000000E+012 +0.00000000E+000 +4.36000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2=IC6D2+H                                     +5.00000000E+012 +0.00000000E+000 +4.36000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3=IC6D2+H                                     +5.00000000E+012 +0.00000000E+000 +3.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3=IC6D3+H                                     +5.00000000E+012 +0.00000000E+000 +3.79000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4=IC6D3+H                                     +5.00000000E+012 +0.00000000E+000 +3.79000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4=IC6D4+H                                     +2.00000000E+013 +0.00000000E+000 +4.04000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5=IC6D4+H                                     +1.29000000E+013 +0.00000000E+000 +3.86000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+OH=CH2O+C5H11-2                             +2.00000000E+010 +0.00000000E+000 +4.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+OH=NC3H7COCH3+CH3                           +2.00000000E+010 +0.00000000E+000 +4.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2+OH=CH3COCH3+NC3H7                           +2.00000000E+010 +0.00000000E+000 +4.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2+OH=C2H5CHO+IC3H7                            +2.00000000E+010 +0.00000000E+000 +4.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3+OH=IC3H7CHO+C2H5                            +2.00000000E+010 +0.00000000E+000 +4.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3+OH=CH3CHO+IC4H9                             +2.00000000E+010 +0.00000000E+000 +4.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4+OH=CH2O+DC5H11                              +2.00000000E+010 +0.00000000E+000 +4.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4+OH=DC5H10O+CH3                              +2.00000000E+010 +0.00000000E+000 +4.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+OH=IC6OH1-2J                                +1.00000000E+012 +0.00000000E+000 -1.04200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1+OH=IC6OH2-1J                                +1.00000000E+012 +0.00000000E+000 -1.04200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2+OH=IC6OH2-3J                                +1.00000000E+012 +0.00000000E+000 -1.04200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2+OH=IC6OH3-2J                                +1.00000000E+012 +0.00000000E+000 -1.04200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3+OH=IC6OH3-4J                                +1.00000000E+012 +0.00000000E+000 -1.04200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3+OH=IC6OH4-3J                                +1.00000000E+012 +0.00000000E+000 -1.04200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4+OH=IC6OH4-5J                                +1.00000000E+012 +0.00000000E+000 -1.04200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4+OH=IC6OH5-4J                                +1.00000000E+012 +0.00000000E+000 -1.04200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OH1-2J+O2=IC6OH1-2O2                           +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OH2-1J+O2=IC6OH2-1O2                           +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OH2-3J+O2=IC6OH2-3O2                           +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OH3-2J+O2=IC6OH3-2O2                           +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OH3-4J+O2=IC6OH3-4O2                           +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OH4-3J+O2=IC6OH4-3O2                           +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OH4-5J+O2=IC6OH4-5O2                           +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OH5-4J+O2=IC6OH5-4O2                           +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OH1-2O2=>NC3H7COCH3+CH2O+OH                    +2.50000000E+010 +0.00000000E+000 +1.88600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OH2-1O2=>NC3H7COCH3+CH2O+OH                    +2.50000000E+010 +0.00000000E+000 +1.88600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OH2-3O2=>CH3COCH3+C2H5CHO+OH                   +2.50000000E+010 +0.00000000E+000 +1.88600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OH3-2O2=>CH3COCH3+C2H5CHO+OH                   +2.50000000E+010 +0.00000000E+000 +1.88600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OH3-4O2=>IC3H7CHO+CH3CHO+OH                    +2.50000000E+010 +0.00000000E+000 +1.88600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OH4-3O2=>IC3H7CHO+CH3CHO+OH                    +2.50000000E+010 +0.00000000E+000 +1.88600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OH4-5O2=>DC5H10O+CH2O+OH                       +2.50000000E+010 +0.00000000E+000 +1.88600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OH5-4O2=>DC5H10O+CH2O+OH                       +2.50000000E+010 +0.00000000E+000 +1.88600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1-1A=C3H4-A+NC3H7                             +1.28000000E+028 -4.43000000E+000 +7.24000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1-3=B13DE2M+CH3                               +7.17000000E+020 -2.49000000E+000 +5.22000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1-4=C3H6+C3H5-T                               +1.33000000E+022 -2.89000000E+000 +5.37000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1-5=IC4H7+C2H4                                +4.96000000E+023 -3.55000000E+000 +4.36000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2-5=IC4H7-I1+C2H4                             +2.01000000E+017 -1.32000000E+000 +4.33000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3-1=C5H81-3+CH3                               +2.46000000E+012 -4.00000000E-002 +2.42000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3-2=IC6D13+H                                  +2.19000000E+016 -5.20000000E-001 +4.91000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4-1=C3H6+C3H5-A                               +1.23000000E+018 -1.48000000E+000 +1.72000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4-2=IC4H8+C2H3                                +8.22000000E+012 -2.60000000E-001 +3.73000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4-3=C5H81-3+CH3                               +1.50000000E+015 -4.80000000E-001 +3.75000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1-1A+HO2=IC6D1-1AO+OH                         +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.90000000E+020 -2.68000000E+000 +2.29000000E+002 /
PLOG /                           +1.00000000E-001 +4.50000000E+022 -3.18000000E+000 +1.76000000E+003 /
PLOG /                           +1.00000000E+000 +8.61000000E+027 -4.63000000E+000 +6.41500000E+003 /
PLOG /                           +2.00000000E+000 +1.92000000E+030 -5.28000000E+000 +8.57800000E+003 /
PLOG /                           +5.00000000E+000 +5.46000000E+033 -6.22000000E+000 +1.18790000E+004 /
PLOG /                           +1.00000000E+001 +2.98000000E+036 -6.97000000E+000 +1.46000000E+004 /
PLOG /                           +3.00000000E+001 +5.58000000E+040 -8.14000000E+000 +1.90400000E+004 /
PLOG /                           +5.00000000E+001 +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 /
IC6D1-3+HO2=IC6D1-3O+OH                           +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.90000000E+020 -2.68000000E+000 +2.29000000E+002 /
PLOG /                           +1.00000000E-001 +4.50000000E+022 -3.18000000E+000 +1.76000000E+003 /
PLOG /                           +1.00000000E+000 +8.61000000E+027 -4.63000000E+000 +6.41500000E+003 /
PLOG /                           +2.00000000E+000 +1.92000000E+030 -5.28000000E+000 +8.57800000E+003 /
PLOG /                           +5.00000000E+000 +5.46000000E+033 -6.22000000E+000 +1.18790000E+004 /
PLOG /                           +1.00000000E+001 +2.98000000E+036 -6.97000000E+000 +1.46000000E+004 /
PLOG /                           +3.00000000E+001 +5.58000000E+040 -8.14000000E+000 +1.90400000E+004 /
PLOG /                           +5.00000000E+001 +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 /
IC6D3-2+HO2=IC6D3-2O+OH                           +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.90000000E+020 -2.68000000E+000 +2.29000000E+002 /
PLOG /                           +1.00000000E-001 +4.50000000E+022 -3.18000000E+000 +1.76000000E+003 /
PLOG /                           +1.00000000E+000 +8.61000000E+027 -4.63000000E+000 +6.41500000E+003 /
PLOG /                           +2.00000000E+000 +1.92000000E+030 -5.28000000E+000 +8.57800000E+003 /
PLOG /                           +5.00000000E+000 +5.46000000E+033 -6.22000000E+000 +1.18790000E+004 /
PLOG /                           +1.00000000E+001 +2.98000000E+036 -6.97000000E+000 +1.46000000E+004 /
PLOG /                           +3.00000000E+001 +5.58000000E+040 -8.14000000E+000 +1.90400000E+004 /
PLOG /                           +5.00000000E+001 +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 /
IC6D4-3+HO2=IC6D4-3O+OH                           +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.90000000E+020 -2.68000000E+000 +2.29000000E+002 /
PLOG /                           +1.00000000E-001 +4.50000000E+022 -3.18000000E+000 +1.76000000E+003 /
PLOG /                           +1.00000000E+000 +8.61000000E+027 -4.63000000E+000 +6.41500000E+003 /
PLOG /                           +2.00000000E+000 +1.92000000E+030 -5.28000000E+000 +8.57800000E+003 /
PLOG /                           +5.00000000E+000 +5.46000000E+033 -6.22000000E+000 +1.18790000E+004 /
PLOG /                           +1.00000000E+001 +2.98000000E+036 -6.97000000E+000 +1.46000000E+004 /
PLOG /                           +3.00000000E+001 +5.58000000E+040 -8.14000000E+000 +1.90400000E+004 /
PLOG /                           +5.00000000E+001 +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 /
IC6D1-1A+HO2=IC6D1-1AOOH                          +5.33000000E+019 -2.70000000E+000 -2.43800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.05000000E+001 +1.24000000E+000 -2.25890000E+004 /
PLOG /                           +1.00000000E-001 +3.69000000E+006 +8.00000000E-002 -1.83310000E+004 /
PLOG /                           +1.00000000E+000 +2.02000000E+013 -1.45000000E+000 -1.17090000E+004 /
PLOG /                           +2.00000000E+000 +1.49000000E+015 -1.87000000E+000 -9.60400000E+003 /
PLOG /                           +5.00000000E+000 +1.85000000E+017 -2.31000000E+000 -6.99100000E+003 /
PLOG /                           +1.00000000E+001 +2.88000000E+018 -2.55000000E+000 -5.26000000E+003 /
PLOG /                           +3.00000000E+001 +3.45000000E+019 -2.71000000E+000 -3.14000000E+003 /
PLOG /                           +5.00000000E+001 +5.33000000E+019 -2.70000000E+000 -2.43800000E+003 /
IC6D1-3+HO2=IC6D1-3OOH                            +5.33000000E+019 -2.70000000E+000 -2.43800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.05000000E+001 +1.24000000E+000 -2.25890000E+004 /
PLOG /                           +1.00000000E-001 +3.69000000E+006 +8.00000000E-002 -1.83310000E+004 /
PLOG /                           +1.00000000E+000 +2.02000000E+013 -1.45000000E+000 -1.17090000E+004 /
PLOG /                           +2.00000000E+000 +1.49000000E+015 -1.87000000E+000 -9.60400000E+003 /
PLOG /                           +5.00000000E+000 +1.85000000E+017 -2.31000000E+000 -6.99100000E+003 /
PLOG /                           +1.00000000E+001 +2.88000000E+018 -2.55000000E+000 -5.26000000E+003 /
PLOG /                           +3.00000000E+001 +3.45000000E+019 -2.71000000E+000 -3.14000000E+003 /
PLOG /                           +5.00000000E+001 +5.33000000E+019 -2.70000000E+000 -2.43800000E+003 /
IC6D3-2+HO2=IC6D3-2OOH                            +5.33000000E+019 -2.70000000E+000 -2.43800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.05000000E+001 +1.24000000E+000 -2.25890000E+004 /
PLOG /                           +1.00000000E-001 +3.69000000E+006 +8.00000000E-002 -1.83310000E+004 /
PLOG /                           +1.00000000E+000 +2.02000000E+013 -1.45000000E+000 -1.17090000E+004 /
PLOG /                           +2.00000000E+000 +1.49000000E+015 -1.87000000E+000 -9.60400000E+003 /
PLOG /                           +5.00000000E+000 +1.85000000E+017 -2.31000000E+000 -6.99100000E+003 /
PLOG /                           +1.00000000E+001 +2.88000000E+018 -2.55000000E+000 -5.26000000E+003 /
PLOG /                           +3.00000000E+001 +3.45000000E+019 -2.71000000E+000 -3.14000000E+003 /
PLOG /                           +5.00000000E+001 +5.33000000E+019 -2.70000000E+000 -2.43800000E+003 /
IC6D4-3+HO2=IC6D4-3OOH                            +5.33000000E+019 -2.70000000E+000 -2.43800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.05000000E+001 +1.24000000E+000 -2.25890000E+004 /
PLOG /                           +1.00000000E-001 +3.69000000E+006 +8.00000000E-002 -1.83310000E+004 /
PLOG /                           +1.00000000E+000 +2.02000000E+013 -1.45000000E+000 -1.17090000E+004 /
PLOG /                           +2.00000000E+000 +1.49000000E+015 -1.87000000E+000 -9.60400000E+003 /
PLOG /                           +5.00000000E+000 +1.85000000E+017 -2.31000000E+000 -6.99100000E+003 /
PLOG /                           +1.00000000E+001 +2.88000000E+018 -2.55000000E+000 -5.26000000E+003 /
PLOG /                           +3.00000000E+001 +3.45000000E+019 -2.71000000E+000 -3.14000000E+003 /
PLOG /                           +5.00000000E+001 +5.33000000E+019 -2.70000000E+000 -2.43800000E+003 /
IC6D1-1A+CH3O2=IC6D1-1AO+CH3O                     +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.90000000E+020 -2.68000000E+000 +2.29000000E+002 /
PLOG /                           +1.00000000E-001 +4.50000000E+022 -3.18000000E+000 +1.76000000E+003 /
PLOG /                           +1.00000000E+000 +8.61000000E+027 -4.63000000E+000 +6.41500000E+003 /
PLOG /                           +2.00000000E+000 +1.92000000E+030 -5.28000000E+000 +8.57800000E+003 /
PLOG /                           +5.00000000E+000 +5.46000000E+033 -6.22000000E+000 +1.18790000E+004 /
PLOG /                           +1.00000000E+001 +2.98000000E+036 -6.97000000E+000 +1.46000000E+004 /
PLOG /                           +3.00000000E+001 +5.58000000E+040 -8.14000000E+000 +1.90400000E+004 /
PLOG /                           +5.00000000E+001 +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 /
IC6D1-3+CH3O2=IC6D1-3O+CH3O                       +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.90000000E+020 -2.68000000E+000 +2.29000000E+002 /
PLOG /                           +1.00000000E-001 +4.50000000E+022 -3.18000000E+000 +1.76000000E+003 /
PLOG /                           +1.00000000E+000 +8.61000000E+027 -4.63000000E+000 +6.41500000E+003 /
PLOG /                           +2.00000000E+000 +1.92000000E+030 -5.28000000E+000 +8.57800000E+003 /
PLOG /                           +5.00000000E+000 +5.46000000E+033 -6.22000000E+000 +1.18790000E+004 /
PLOG /                           +1.00000000E+001 +2.98000000E+036 -6.97000000E+000 +1.46000000E+004 /
PLOG /                           +3.00000000E+001 +5.58000000E+040 -8.14000000E+000 +1.90400000E+004 /
PLOG /                           +5.00000000E+001 +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 /
IC6D3-2+CH3O2=IC6D3-2O+CH3O                       +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.90000000E+020 -2.68000000E+000 +2.29000000E+002 /
PLOG /                           +1.00000000E-001 +4.50000000E+022 -3.18000000E+000 +1.76000000E+003 /
PLOG /                           +1.00000000E+000 +8.61000000E+027 -4.63000000E+000 +6.41500000E+003 /
PLOG /                           +2.00000000E+000 +1.92000000E+030 -5.28000000E+000 +8.57800000E+003 /
PLOG /                           +5.00000000E+000 +5.46000000E+033 -6.22000000E+000 +1.18790000E+004 /
PLOG /                           +1.00000000E+001 +2.98000000E+036 -6.97000000E+000 +1.46000000E+004 /
PLOG /                           +3.00000000E+001 +5.58000000E+040 -8.14000000E+000 +1.90400000E+004 /
PLOG /                           +5.00000000E+001 +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 /
IC6D4-3+CH3O2=IC6D4-3O+CH3O                       +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.90000000E+020 -2.68000000E+000 +2.29000000E+002 /
PLOG /                           +1.00000000E-001 +4.50000000E+022 -3.18000000E+000 +1.76000000E+003 /
PLOG /                           +1.00000000E+000 +8.61000000E+027 -4.63000000E+000 +6.41500000E+003 /
PLOG /                           +2.00000000E+000 +1.92000000E+030 -5.28000000E+000 +8.57800000E+003 /
PLOG /                           +5.00000000E+000 +5.46000000E+033 -6.22000000E+000 +1.18790000E+004 /
PLOG /                           +1.00000000E+001 +2.98000000E+036 -6.97000000E+000 +1.46000000E+004 /
PLOG /                           +3.00000000E+001 +5.58000000E+040 -8.14000000E+000 +1.90400000E+004 /
PLOG /                           +5.00000000E+001 +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 /
IC6D1-1A+C2H5O2=IC6D1-1AO+C2H5O                   +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.90000000E+020 -2.68000000E+000 +2.29000000E+002 /
PLOG /                           +1.00000000E-001 +4.50000000E+022 -3.18000000E+000 +1.76000000E+003 /
PLOG /                           +1.00000000E+000 +8.61000000E+027 -4.63000000E+000 +6.41500000E+003 /
PLOG /                           +2.00000000E+000 +1.92000000E+030 -5.28000000E+000 +8.57800000E+003 /
PLOG /                           +5.00000000E+000 +5.46000000E+033 -6.22000000E+000 +1.18790000E+004 /
PLOG /                           +1.00000000E+001 +2.98000000E+036 -6.97000000E+000 +1.46000000E+004 /
PLOG /                           +3.00000000E+001 +5.58000000E+040 -8.14000000E+000 +1.90400000E+004 /
PLOG /                           +5.00000000E+001 +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 /
IC6D1-3+C2H5O2=IC6D1-3O+C2H5O                     +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.90000000E+020 -2.68000000E+000 +2.29000000E+002 /
PLOG /                           +1.00000000E-001 +4.50000000E+022 -3.18000000E+000 +1.76000000E+003 /
PLOG /                           +1.00000000E+000 +8.61000000E+027 -4.63000000E+000 +6.41500000E+003 /
PLOG /                           +2.00000000E+000 +1.92000000E+030 -5.28000000E+000 +8.57800000E+003 /
PLOG /                           +5.00000000E+000 +5.46000000E+033 -6.22000000E+000 +1.18790000E+004 /
PLOG /                           +1.00000000E+001 +2.98000000E+036 -6.97000000E+000 +1.46000000E+004 /
PLOG /                           +3.00000000E+001 +5.58000000E+040 -8.14000000E+000 +1.90400000E+004 /
PLOG /                           +5.00000000E+001 +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 /
IC6D3-2+C2H5O2=IC6D3-2O+C2H5O                     +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.90000000E+020 -2.68000000E+000 +2.29000000E+002 /
PLOG /                           +1.00000000E-001 +4.50000000E+022 -3.18000000E+000 +1.76000000E+003 /
PLOG /                           +1.00000000E+000 +8.61000000E+027 -4.63000000E+000 +6.41500000E+003 /
PLOG /                           +2.00000000E+000 +1.92000000E+030 -5.28000000E+000 +8.57800000E+003 /
PLOG /                           +5.00000000E+000 +5.46000000E+033 -6.22000000E+000 +1.18790000E+004 /
PLOG /                           +1.00000000E+001 +2.98000000E+036 -6.97000000E+000 +1.46000000E+004 /
PLOG /                           +3.00000000E+001 +5.58000000E+040 -8.14000000E+000 +1.90400000E+004 /
PLOG /                           +5.00000000E+001 +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 /
IC6D4-3+C2H5O2=IC6D4-3O+C2H5O                     +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.90000000E+020 -2.68000000E+000 +2.29000000E+002 /
PLOG /                           +1.00000000E-001 +4.50000000E+022 -3.18000000E+000 +1.76000000E+003 /
PLOG /                           +1.00000000E+000 +8.61000000E+027 -4.63000000E+000 +6.41500000E+003 /
PLOG /                           +2.00000000E+000 +1.92000000E+030 -5.28000000E+000 +8.57800000E+003 /
PLOG /                           +5.00000000E+000 +5.46000000E+033 -6.22000000E+000 +1.18790000E+004 /
PLOG /                           +1.00000000E+001 +2.98000000E+036 -6.97000000E+000 +1.46000000E+004 /
PLOG /                           +3.00000000E+001 +5.58000000E+040 -8.14000000E+000 +1.90400000E+004 /
PLOG /                           +5.00000000E+001 +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 /
IC6D1-3+O2=IC6D13+HO2                             +1.07000000E+000 +3.71000000E+000 +9.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1-4+O2=IC6D13+HO2                             +1.07000000E+000 +3.71000000E+000 +7.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1-4+O2=IC6D14+HO2                             +1.07000000E+000 +3.71000000E+000 +9.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1-5+O2=IC6D14+HO2                             +1.07000000E+000 +3.71000000E+000 +9.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2-5+O2=IC6D24+HO2                             +1.07000000E+000 +3.71000000E+000 +7.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3-1+O2=IC6D13+HO2                             +1.07000000E+000 +3.71000000E+000 +7.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3-2+O2=IC6D13+HO2                             +2.14000000E+000 +3.71000000E+000 +9.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4-1+O2=IC6D14+HO2                             +1.07000000E+000 +3.71000000E+000 +9.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4-2+O2=IC6D14+HO2                             +2.14000000E+000 +3.71000000E+000 +9.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4-2+O2=IC6D24+HO2                             +1.07000000E+000 +3.71000000E+000 +7.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4-3+O2=IC6D24+HO2                             +1.07000000E+000 +3.71000000E+000 +9.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D14+OH=IC6D14-1+H2O                            +3.12000000E+006 +2.00000000E+000 -2.98000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D14+OH=IC6D13-5R+H2O                           +2.76000000E+004 +2.64000000E+000 -1.91900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D14+HO2=IC6D14-1+H2O2                          +3.91000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D14+HO2=IC6D13-5R+H2O2                         +1.81000000E+003 +2.50000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H4-A+C3H5-A=IC6D14-1                            +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1-1AO=>CH2O+C3H4-A+C2H5                       +1.50000000E+015 -1.07000000E+000 +3.04000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1-3O=IC3H5CHO+C2H5                            +3.24000000E+022 -2.59000000E+000 +3.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3-2O=NC52ONE-3+CH3                            +7.18000000E+017 -1.20000000E+000 +2.84000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4-3O=C2H3CHO+IC3H7                            +9.56000000E+016 -1.19000000E+000 +2.34000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1-5=IC6D1-1A                                  +4.17000000E+011 +0.00000000E+000 +2.64000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1=IC4H7+C2H5                                  +1.00000000E+016 +0.00000000E+000 +7.10000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2=CC5H9-B+CH3                                 +1.00000000E+016 +0.00000000E+000 +7.10000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4=C3H5-A+IC3H7                                +1.00000000E+016 +0.00000000E+000 +7.10000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-1+O2=IC6-1O2                                  +6.86300000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2+O2=IC6-2O2                                  +9.75200000E+011 +3.25000000E-001 -4.17300000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3+O2=IC6-3O2                                  +3.48600000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4+O2=IC6-4O2                                  +3.48600000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5+O2=IC6-5O2                                  +6.86300000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-1+HO2=IC6-1O+OH                               +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2+HO2=IC6-2O+OH                               +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3+HO2=IC6-3O+OH                               +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4+HO2=IC6-4O+OH                               +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5+HO2=IC6-5O+OH                               +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-1+CH3O2=IC6-1O+CH3O                           +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2+CH3O2=IC6-2O+CH3O                           +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3+CH3O2=IC6-3O+CH3O                           +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4+CH3O2=IC6-4O+CH3O                           +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5+CH3O2=IC6-5O+CH3O                           +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-1+IC6-1O2=IC6-1O+IC6-1O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2+IC6-1O2=IC6-2O+IC6-1O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3+IC6-1O2=IC6-3O+IC6-1O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4+IC6-1O2=IC6-4O+IC6-1O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5+IC6-1O2=IC6-5O+IC6-1O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-1+IC6-2O2=IC6-1O+IC6-2O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2+IC6-2O2=IC6-2O+IC6-2O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3+IC6-2O2=IC6-3O+IC6-2O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4+IC6-2O2=IC6-4O+IC6-2O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5+IC6-2O2=IC6-5O+IC6-2O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-1+IC6-3O2=IC6-1O+IC6-3O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2+IC6-3O2=IC6-2O+IC6-3O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3+IC6-3O2=IC6-3O+IC6-3O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4+IC6-3O2=IC6-4O+IC6-3O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5+IC6-3O2=IC6-5O+IC6-3O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-1+IC6-4O2=IC6-1O+IC6-4O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2+IC6-4O2=IC6-2O+IC6-4O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3+IC6-4O2=IC6-3O+IC6-4O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4+IC6-4O2=IC6-4O+IC6-4O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5+IC6-4O2=IC6-5O+IC6-4O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-1+IC6-5O2=IC6-1O+IC6-5O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2+IC6-5O2=IC6-2O+IC6-5O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3+IC6-5O2=IC6-3O+IC6-5O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4+IC6-5O2=IC6-4O+IC6-5O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5+IC6-5O2=IC6-5O+IC6-5O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-1O2=IC6OOH1-1A                                +3.56600000E+006 +1.60000000E+000 +2.10000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-1O2=IC6OOH1-2                                 +2.30900000E+009 +8.00000000E-001 +2.71000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-1O2=IC6OOH1-3                                 +1.36000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-1O2=IC6OOH1-4                                 +3.71800000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-1O2=IC6OOH1-5                                 +2.94100000E+005 +1.50000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2O2=IC6OOH2-1                                 +3.01400000E+009 +1.20000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2O2=IC6OOH2-3                                 +6.51300000E+009 +7.00000000E-001 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2O2=IC6OOH2-4                                 +3.51700000E+010 +2.00000000E-001 +1.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2O2=IC6OOH2-5                                 +1.23300000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3O2=IC6OOH3-1                                 +2.87700000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3O2=IC6OOH3-2                                 +7.44900000E+009 +6.00000000E-001 +2.73000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3O2=IC6OOH3-4                                 +1.71600000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3O2=IC6OOH3-5                                 +1.43900000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4O2=IC6OOH4-1                                 +2.46700000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4O2=IC6OOH4-2                                 +6.15400000E+006 +1.20000000E+000 +1.54000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4O2=IC6OOH4-3                                 +1.71600000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4O2=IC6OOH4-5                                 +1.45800000E+009 +1.10000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5O2=IC6OOH5-1                                 +5.88200000E+005 +1.50000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5O2=IC6OOH5-2                                 +1.70800000E+006 +1.20000000E+000 +1.38000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5O2=IC6OOH5-3                                 +1.36000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5O2=IC6OOH5-4                                 +4.00900000E+008 +1.10000000E+000 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-1O2=IC6D1+HO2                                 +2.52000000E+008 +1.32000000E+000 +2.79000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2O2=IC6D1+HO2                                 +3.68000000E+010 +8.90000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2O2=IC6D2+HO2                                 +1.68000000E+011 +5.80000000E-001 +2.96000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3O2=IC6D2+HO2                                 +7.00000000E+010 +7.10000000E-001 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3O2=IC6D3+HO2                                 +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4O2=IC6D3+HO2                                 +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4O2=IC6D4+HO2                                 +3.60500000E+009 +1.13000000E+000 +3.06000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5O2=IC6D4+HO2                                 +3.87000000E+007 +1.58000000E+000 +2.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-1O2+HO2=IC6-1OOH+O2                           +1.75000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2O2+HO2=IC6-2OOH+O2                           +1.75000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3O2+HO2=IC6-3OOH+O2                           +1.75000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4O2+HO2=IC6-4OOH+O2                           +1.75000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5O2+HO2=IC6-5OOH+O2                           +1.75000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-1O2+H2O2=IC6-1OOH+HO2                         +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2O2+H2O2=IC6-2OOH+HO2                         +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3O2+H2O2=IC6-3OOH+HO2                         +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4O2+H2O2=IC6-4OOH+HO2                         +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5O2+H2O2=IC6-5OOH+HO2                         +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-1O2+IC6=IC6-1OOH+IC6-1                        +1.21000000E+013 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2O2+IC6=IC6-2OOH+IC6-1                        +1.21000000E+013 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3O2+IC6=IC6-3OOH+IC6-1                        +1.21000000E+013 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4O2+IC6=IC6-4OOH+IC6-1                        +1.21000000E+013 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5O2+IC6=IC6-5OOH+IC6-1                        +1.21000000E+013 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-1O2+IC6=IC6-1OOH+IC6-2                        +2.02000000E+012 +0.00000000E+000 +1.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2O2+IC6=IC6-2OOH+IC6-2                        +2.02000000E+012 +0.00000000E+000 +1.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3O2+IC6=IC6-3OOH+IC6-2                        +2.02000000E+012 +0.00000000E+000 +1.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4O2+IC6=IC6-4OOH+IC6-2                        +2.02000000E+012 +0.00000000E+000 +1.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5O2+IC6=IC6-5OOH+IC6-2                        +2.02000000E+012 +0.00000000E+000 +1.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-1O2+IC6=IC6-1OOH+IC6-3                        +4.03000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2O2+IC6=IC6-2OOH+IC6-3                        +4.03000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3O2+IC6=IC6-3OOH+IC6-3                        +4.03000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4O2+IC6=IC6-4OOH+IC6-3                        +4.03000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5O2+IC6=IC6-5OOH+IC6-3                        +4.03000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-1O2+IC6=IC6-1OOH+IC6-4                        +4.03000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2O2+IC6=IC6-2OOH+IC6-4                        +4.03000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3O2+IC6=IC6-3OOH+IC6-4                        +4.03000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4O2+IC6=IC6-4OOH+IC6-4                        +4.03000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5O2+IC6=IC6-5OOH+IC6-4                        +4.03000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-1O2+IC6=IC6-1OOH+IC6-5                        +6.05000000E+012 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2O2+IC6=IC6-2OOH+IC6-5                        +6.05000000E+012 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3O2+IC6=IC6-3OOH+IC6-5                        +6.05000000E+012 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4O2+IC6=IC6-4OOH+IC6-5                        +6.05000000E+012 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5O2+IC6=IC6-5OOH+IC6-5                        +6.05000000E+012 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-1O2+CH3O2=>IC6-1O+CH3O+O2                     +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2O2+CH3O2=>IC6-2O+CH3O+O2                     +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3O2+CH3O2=>IC6-3O+CH3O+O2                     +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4O2+CH3O2=>IC6-4O+CH3O+O2                     +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5O2+CH3O2=>IC6-5O+CH3O+O2                     +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-1O2+IC6-1O2=>IC6-1O+IC6-1O+O2                 +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2O2+IC6-1O2=>IC6-2O+IC6-1O+O2                 +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3O2+IC6-1O2=>IC6-3O+IC6-1O+O2                 +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4O2+IC6-1O2=>IC6-4O+IC6-1O+O2                 +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5O2+IC6-1O2=>IC6-5O+IC6-1O+O2                 +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2O2+IC6-2O2=>IC6-2O+IC6-2O+O2                 +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3O2+IC6-2O2=>IC6-3O+IC6-2O+O2                 +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4O2+IC6-2O2=>IC6-4O+IC6-2O+O2                 +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5O2+IC6-2O2=>IC6-5O+IC6-2O+O2                 +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3O2+IC6-3O2=>IC6-3O+IC6-3O+O2                 +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4O2+IC6-3O2=>IC6-4O+IC6-3O+O2                 +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5O2+IC6-3O2=>IC6-5O+IC6-3O+O2                 +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4O2+IC6-4O2=>IC6-4O+IC6-4O+O2                 +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5O2+IC6-4O2=>IC6-5O+IC6-4O+O2                 +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5O2+IC6-5O2=>IC6-5O+IC6-5O+O2                 +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-1OOH=IC6-1O+OH                                +1.50000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2OOH=IC6-2O+OH                                +6.00000000E+015 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3OOH=IC6-3O+OH                                +1.05000000E+016 +0.00000000E+000 +4.12000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4OOH=IC6-4O+OH                                +1.05000000E+016 +0.00000000E+000 +4.12000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5OOH=IC6-5O+OH                                +1.50000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-1O=CH2O+C5H11-2                               +5.50000000E+013 -2.10000000E-001 +1.80000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2O=NC3H7COCH3+CH3                             +2.46000000E+018 -1.28000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-2O=CH3COCH3+NC3H7                             +2.46000000E+018 -1.28000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3O=C2H5CHO+IC3H7                              +7.27000000E+018 -1.46000000E+000 +1.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-3O=IC3H7CHO+C2H5                              +7.27000000E+018 -1.46000000E+000 +1.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4O=DC5H10O+CH3                                +1.28000000E+022 -2.58000000E+000 +2.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-4O=CH3CHO+IC4H9                               +1.28000000E+022 -2.58000000E+000 +2.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6-5O=CH2O+DC5H11                                +1.83000000E+017 -1.28000000E+000 +2.09000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-1A=IC6O1-1A+OH                            +6.34000000E+011 +0.00000000E+000 +1.67337000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-2=IC6O1-2+OH                              +3.55000000E+012 +0.00000000E+000 +9.35870000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-3=IC6O1-3+OH                              +9.51000000E+011 +0.00000000E+000 +1.60117000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-4=IC6O1-4+OH                              +2.77000000E+010 +0.00000000E+000 +9.58900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-5=IC6O1-5+OH                              +1.04000000E+010 +0.00000000E+000 +1.12601000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH2-1=IC6O1-2+OH                              +7.10000000E+012 +0.00000000E+000 +1.26546000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH2-3=IC6O2-3+OH                              +3.55000000E+012 +0.00000000E+000 +1.19846000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH2-4=IC6O2-4+OH                              +6.34000000E+011 +0.00000000E+000 +1.74178000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH2-5=IC6O2-5+OH                              +5.54000000E+010 +0.00000000E+000 +1.27813000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-1=IC6O1-3+OH                              +6.34000000E+011 +0.00000000E+000 +1.67261000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-2=IC6O2-3+OH                              +3.55000000E+012 +0.00000000E+000 +9.34660000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-4=IC6O3-4+OH                              +1.77500000E+012 +0.00000000E+000 +1.17338000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-5=IC6O3-5+OH                              +6.34000000E+011 +0.00000000E+000 +1.67261000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-1=IC6O1-4+OH                              +2.77000000E+010 +0.00000000E+000 +1.06607000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-2=IC6O2-4+OH                              +1.26800000E+012 +0.00000000E+000 +1.53048000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-3=IC6O3-4+OH                              +1.77500000E+012 +0.00000000E+000 +1.17338000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-5=IC6O4-5+OH                              +3.55000000E+012 +0.00000000E+000 +1.14038000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-1=IC6O1-5+OH                              +1.04000000E+010 +0.00000000E+000 +1.12601000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-2=IC6O2-5+OH                              +5.54000000E+010 +0.00000000E+000 +9.54010000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-3=IC6O3-5+OH                              +9.51000000E+011 +0.00000000E+000 +1.60117000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-4=IC6O4-5+OH                              +3.55000000E+012 +0.00000000E+000 +9.74590000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-2=IC6D1+HO2                               +8.38000000E+009 +9.20000000E-001 +1.45000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH2-1=IC6D1+HO2                               +3.89000000E+013 -1.50000000E-001 +1.55000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH2-3=IC6D2+HO2                               +3.01000000E+011 +3.50000000E-001 +1.52000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-2=IC6D2+HO2                               +7.82000000E+009 +9.00000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-4=IC6D3+HO2                               +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-3=IC6D3+HO2                               +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-5=IC6D4+HO2                               +1.78000000E+012 +2.40000000E-001 +1.57000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-4=IC6D4+HO2                               +6.24000000E+010 +7.20000000E-001 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-3=>CH2O+C5H10-2+OH                        +3.08100000E+013 +0.00000000E+000 +2.66205000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH2-4=>CH3COCH3+C3H6+OH                       +3.08100000E+013 +0.00000000E+000 +2.46351000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-1=>C2H5CHO+C3H6+OH                        +3.08100000E+013 +0.00000000E+000 +2.46085000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-5=>IC3H7CHO+C2H4+OH                       +3.08100000E+013 +0.00000000E+000 +2.45415000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-2=>CH3CHO+IC4H8+OH                        +3.08100000E+013 +0.00000000E+000 +2.42629000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-3=>CH2O+CC5H10+OH                         +3.08100000E+013 +0.00000000E+000 +2.64880000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-4=C3H6+C3H6OOH1-2                         +1.39200000E+014 +0.00000000E+000 +2.80403000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH2-5=C2H4+TC4H8O2H-I                         +1.39200000E+014 +0.00000000E+000 +2.95784000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-1=C3H6+C3H6OOH2-1                         +1.39200000E+014 +0.00000000E+000 +2.79567000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-2=IC4H8+C2H4O2H                           +1.39200000E+014 +0.00000000E+000 +2.69554000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-1A+O2=IC6OOH1-1AO2                        +3.43000000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-2+O2=IC6OOH1-2O2                          +4.88000000E+011 +3.25000000E-001 -4.17300000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-3+O2=IC6OOH1-3O2                          +1.74000000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-4+O2=IC6OOH1-4O2                          +1.74000000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-5+O2=IC6OOH1-5O2                          +3.43000000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH2-1+O2=IC6OOH2-1O2                          +3.43000000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH2-3+O2=IC6OOH2-3O2                          +1.74000000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH2-4+O2=IC6OOH2-4O2                          +1.74000000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH2-5+O2=IC6OOH2-5O2                          +3.43000000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-1+O2=IC6OOH3-1O2                          +3.43000000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-2+O2=IC6OOH3-2O2                          +4.88000000E+011 +3.25000000E-001 -4.17300000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-4+O2=IC6OOH3-4O2                          +1.74000000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-5+O2=IC6OOH3-5O2                          +3.43000000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-1+O2=IC6OOH4-1O2                          +3.43000000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-2+O2=IC6OOH4-2O2                          +4.88000000E+011 +3.25000000E-001 -4.17300000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-3+O2=IC6OOH4-3O2                          +1.74000000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-5+O2=IC6OOH4-5O2                          +3.43000000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-1+O2=IC6OOH5-1O2                          +3.43000000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-2+O2=IC6OOH5-2O2                          +4.88000000E+011 +3.25000000E-001 -4.17300000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-3+O2=IC6OOH5-3O2                          +1.74000000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-4+O2=IC6OOH5-4O2                          +1.74000000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-1AO2=IC6KET1-1A+OH                        +5.19000000E+004 +1.90000000E+000 +1.88000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-2O2=IC6KET1-2+OH                          +3.66000000E+007 +1.60000000E+000 +2.79000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-3O2=IC6KET1-3+OH                          +1.10000000E+004 +2.40000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-4O2=IC6KET1-4+OH                          +1.26000000E+003 +2.20000000E+000 +1.74000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-5O2=IC6KET1-5+OH                          +1.11000000E+003 +1.80000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-1O2=IC6KET3-1+OH                          +5.79000000E+001 +2.90000000E+000 +1.70000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-2O2=IC6KET3-2+OH                          +2.62000000E+008 +1.70000000E+000 +2.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-4O2=IC6KET3-4+OH                          +1.75000000E+008 +1.70000000E+000 +2.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-5O2=IC6KET3-5+OH                          +5.79000000E+001 +2.90000000E+000 +1.70000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-1O2=IC6KET4-1+OH                          +3.77000000E+002 +2.20000000E+000 +1.53000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-2O2=IC6KET4-2+OH                          +2.63000000E+002 +3.10000000E+000 +1.65000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-3O2=IC6KET4-3+OH                          +1.75000000E+008 +1.70000000E+000 +2.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-5O2=IC6KET4-5+OH                          +2.76000000E+008 +1.20000000E+000 +2.57000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-1O2=IC6KET5-1+OH                          +1.11000000E+003 +1.80000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-2O2=IC6KET5-2+OH                          +1.88000000E+003 +2.20000000E+000 +1.64000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-3O2=IC6KET5-3+OH                          +1.10000000E+004 +2.40000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-4O2=IC6KET5-4+OH                          +2.44000000E+007 +1.60000000E+000 +2.79000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-1AO2=IC6D1-1AOOH+HO2                      +3.78000000E+008 +1.32000000E+000 +2.79000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-2O2=IC6D1-1AOOH+HO2                       +1.88400000E+010 +8.90000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-2O2=IC6D2-1OOH+HO2                        +1.68000000E+011 +5.80000000E-001 +2.96000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-3O2=IC6D2-1OOH+HO2                        +10.5000000E+010 +7.10000000E-001 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-3O2=IC6D3-1OOH+HO2                        +9.80000000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-4O2=IC6D3-1OOH+HO2                        +9.80000000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-4O2=IC6D4-1OOH+HO2                        +5.40500000E+009 +1.13000000E+000 +3.06000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-5O2=IC6D4-1OOH+HO2                        +5.82000000E+007 +1.58000000E+000 +2.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH2-3O2=IC6D3-2OOH+HO2                        +9.80000000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH2-4O2=IC6D3-2OOH+HO2                        +9.80000000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH2-4O2=IC6D4-2OOH+HO2                        +5.40500000E+009 +1.13000000E+000 +3.06000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH2-5O2=IC6D4-2OOH+HO2                        +5.82000000E+007 +1.58000000E+000 +2.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-1O2=IC6D1-3OOH+HO2                        +3.78000000E+008 +1.32000000E+000 +2.79000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-2O2=IC6D1-3OOH+HO2                        +3.66000000E+010 +8.90000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-4O2=IC6D4-3OOH+HO2                        +5.40500000E+009 +1.13000000E+000 +3.06000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-5O2=IC6D4-3OOH+HO2                        +5.82000000E+007 +1.58000000E+000 +2.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-1O2=IC6D1-4OOH+HO2                        +3.78000000E+008 +1.32000000E+000 +2.79000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-2O2=IC6D1-4OOH+HO2                        +3.66000000E+010 +8.90000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-2O2=IC6D2-4OOH+HO2                        +1.68000000E+011 +5.80000000E-001 +2.96000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-3O2=IC6D2-4OOH+HO2                        +10.5000000E+010 +7.10000000E-001 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-1O2=IC6D1-5OOH+HO2                        +3.78000000E+008 +1.32000000E+000 +2.79000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-2O2=IC6D1-5OOH+HO2                        +3.66000000E+010 +8.90000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-2O2=IC6D2-5OOH+HO2                        +1.68000000E+011 +5.80000000E-001 +2.96000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-3O2=IC6D2-5OOH+HO2                        +10.5000000E+010 +7.10000000E-001 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-3O2=IC6D3-5OOH+HO2                        +9.80000000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-4O2=IC6D3-5OOH+HO2                        +9.80000000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-1AO2=IC6Q11A-2                            +2.30900000E+009 +8.00000000E-001 +2.71000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-1AO2=IC6Q11A-3                            +1.36000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-1AO2=IC6Q11A-4                            +3.71800000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-1AO2=IC6Q11A-5                            +2.94100000E+005 +1.50000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-2O2=IC6Q12-1A                             +1.50700000E+009 +1.20000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-2O2=IC6Q12-3                              +6.51300000E+009 +7.00000000E-001 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-2O2=IC6Q12-4                              +7.03300000E+010 +2.00000000E-001 +1.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-2O2=IC6Q12-5                              +1.23300000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-3O2=IC6Q13-1A                             +1.43900000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-3O2=IC6Q13-2                              +7.44900000E+009 +6.00000000E-001 +2.73000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-3O2=IC6Q13-4                              +1.71600000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-3O2=IC6Q13-5                              +1.43900000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-4O2=IC6Q14-1A                             +1.23300000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-4O2=IC6Q14-2                              +1.23100000E+007 +1.20000000E+000 +1.54000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-4O2=IC6Q14-3                              +1.71600000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-4O2=IC6Q14-5                              +1.45800000E+009 +1.10000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-5O2=IC6Q15-1A                             +2.94100000E+005 +1.50000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-5O2=IC6Q15-2                              +1.70800000E+006 +1.20000000E+000 +1.38000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-5O2=IC6Q15-3                              +1.36000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH1-5O2=IC6Q15-4                              +4.00900000E+008 +1.10000000E+000 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH2-1O2=IC6Q12-1A                             +3.56600000E+006 +1.60000000E+000 +2.10000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH2-1O2=IC6Q12-3                              +1.36000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH2-1O2=IC6Q12-4                              +3.71800000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH2-1O2=IC6Q12-5                              +2.94100000E+005 +1.50000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH2-3O2=IC6Q23-1                              +2.87700000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH2-3O2=IC6Q23-4                              +1.71600000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH2-3O2=IC6Q23-5                              +1.43900000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH2-4O2=IC6Q24-1                              +2.46700000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH2-4O2=IC6Q24-3                              +1.71600000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH2-4O2=IC6Q24-5                              +1.45800000E+009 +1.10000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH2-5O2=IC6Q25-1                              +5.88200000E+005 +1.50000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH2-5O2=IC6Q25-3                              +1.36000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH2-5O2=IC6Q25-4                              +4.00900000E+008 +1.10000000E+000 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-1O2=IC6Q13-1A                             +3.56600000E+006 +1.60000000E+000 +2.10000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-1O2=IC6Q13-2                              +2.30900000E+009 +8.00000000E-001 +2.71000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-1O2=IC6Q13-4                              +3.71800000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-1O2=IC6Q13-5                              +2.94100000E+005 +1.50000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-2O2=IC6Q23-1                              +3.01400000E+009 +1.20000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-2O2=IC6Q23-4                              +7.03300000E+010 +2.00000000E-001 +1.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-2O2=IC6Q23-5                              +1.23300000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-4O2=IC6Q34-1                              +2.46700000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-4O2=IC6Q34-2                              +1.23100000E+007 +1.20000000E+000 +1.54000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-4O2=IC6Q34-5                              +1.45800000E+009 +1.10000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-5O2=IC6Q35-1                              +5.88200000E+005 +1.50000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-5O2=IC6Q35-2                              +1.70800000E+006 +1.20000000E+000 +1.38000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH3-5O2=IC6Q35-4                              +4.00900000E+008 +1.10000000E+000 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-1O2=IC6Q14-1A                             +3.56600000E+006 +1.60000000E+000 +2.10000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-1O2=IC6Q14-2                              +2.30900000E+009 +8.00000000E-001 +2.71000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-1O2=IC6Q14-3                              +1.36000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-1O2=IC6Q14-5                              +2.94100000E+005 +1.50000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-2O2=IC6Q24-1                              +3.01400000E+009 +1.20000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-2O2=IC6Q24-3                              +6.51300000E+009 +7.00000000E-001 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-2O2=IC6Q24-5                              +1.23300000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-3O2=IC6Q34-1                              +2.87700000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-3O2=IC6Q34-2                              +7.44900000E+009 +6.00000000E-001 +2.73000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-3O2=IC6Q34-5                              +1.43900000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-5O2=IC6Q45-1                              +5.88200000E+005 +1.50000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-5O2=IC6Q45-2                              +1.70800000E+006 +1.20000000E+000 +1.38000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH4-5O2=IC6Q45-3                              +1.36000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-1O2=IC6Q15-1A                             +3.56600000E+006 +1.60000000E+000 +2.10000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-1O2=IC6Q15-2                              +2.30900000E+009 +8.00000000E-001 +2.71000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-1O2=IC6Q15-3                              +1.36000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-1O2=IC6Q15-4                              +3.71800000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-2O2=IC6Q25-1                              +3.01400000E+009 +1.20000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-2O2=IC6Q25-3                              +6.51300000E+009 +7.00000000E-001 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-2O2=IC6Q25-4                              +1.36000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-3O2=IC6Q35-1                              +2.87700000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-3O2=IC6Q35-2                              +7.44900000E+009 +6.00000000E-001 +2.73000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-3O2=IC6Q35-4                              +1.71600000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-4O2=IC6Q45-1                              +2.46700000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-4O2=IC6Q45-2                              +1.23100000E+007 +1.20000000E+000 +1.54000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6OOH5-4O2=IC6Q45-3                              +1.71600000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q11A-3=>C5H92-1OOH+CH2O+OH                     +6.16200000E+013 +0.00000000E+000 +2.83803000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q12-4=>C3KET21+C3H6+OH                         +3.08100000E+013 +0.00000000E+000 +2.65433000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q13-1A=>AC3H5OOH+C2H5CHO+OH                    +3.08100000E+013 +0.00000000E+000 +2.57583000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q13-1A=>C5H91-3OOH+CH2O+OH                     +3.08100000E+013 +0.00000000E+000 +2.82266000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q13-5=>IC4KETII+C2H4+OH                        +3.08100000E+013 +0.00000000E+000 +2.40698000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q14-1A=>C5H91-4OOH+CH2O+OH                     +3.08100000E+013 +0.00000000E+000 +2.63873000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q15-1A=>C5H91-5OOH+CH2O+OH                     +3.08100000E+013 +0.00000000E+000 +2.63873000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q15-3=>C5H92-5OOH+CH2O+OH                      +3.08100000E+013 +0.00000000E+000 +2.66205000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q15-3=>C5H9C-AOOH+CH2O+OH                      +3.08100000E+013 +0.00000000E+000 +2.64880000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q23-5=>IC4KETIT+C2H4+OH                        +3.08100000E+013 +0.00000000E+000 +2.57766000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q34-1=>C3KET12+C3H6+OH                         +3.08100000E+013 +0.00000000E+000 +2.37765000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q35-1=>C3KET13+C3H6+OH                         +3.08100000E+013 +0.00000000E+000 +2.40201000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q45-2=>IC4H8+HO2CH2CHO+OH                      +3.08100000E+013 +0.00000000E+000 +2.61794000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q11A-4=C3H52-1,3OOH+C3H6                       +1.39200000E+014 +0.00000000E+000 +2.65802000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q12-5=TIC4H7Q2-I+C2H4                          +1.39200000E+014 +0.00000000E+000 +2.44349000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q14-1A=AC3H5OOH+C3H6OOH2-1                     +1.39200000E+014 +0.00000000E+000 +2.99743000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q15-1A=AC3H5OOH+C3H6OOH1-3                     +1.39200000E+014 +0.00000000E+000 +2.97324000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q45-1=C3H51-2,3OOH+C3H6                        +2.78400000E+014 +0.00000000E+000 +2.55757000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET1-1A=IC6KET1-1AO+OH                         +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET1-2=IC6KET1-2O+OH                           +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET1-3=IC6KET1-3O+OH                           +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET1-4=IC6KET1-4O+OH                           +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET1-5=IC6KET1-5O+OH                           +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET3-1=IC6KET3-1O+OH                           +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET3-2=IC6KET3-2O+OH                           +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET3-4=IC6KET3-4O+OH                           +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET3-5=IC6KET3-5O+OH                           +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET4-1=IC6KET4-1O+OH                           +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET4-2=IC6KET4-2O+OH                           +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET4-3=IC6KET4-3O+OH                           +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET4-5=IC6KET4-5O+OH                           +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET5-1=IC6KET5-1O+OH                           +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET5-2=IC6KET5-2O+OH                           +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET5-3=IC6KET5-3O+OH                           +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET5-4=IC6KET5-4O+OH                           +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET1-1AO=PC4H8CHO-2+CH2O                       +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET1-2O=NC3H7COCH3+HCO                         +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET1-3O=CH3CHCHO+C2H5CHO                       +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET1-4O=IC3H6CHO+CH3CHO                        +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET1-5O=C4H8CHO4-2+CH2O                        +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET3-1O=CH3CHCOC2H5+CH2O                       +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET3-2O=CH3COCH3+C2H5CO                        +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET3-4O=IC3H7CO+CH3CHO                         +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET3-5O=IC3H7COCH2+CH2O                        +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET4-1O=CH3CHCH2COCH3+CH2O                     +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET4-2O=CH3COCH3+CH3COCH2                      +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET4-3O=IC3H7CHO+CH3CO                         +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET4-5O=IC4H9CO+CH2O                           +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET5-1O=PC4H8CHO-4+CH2O                        +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET5-2O=CH3COCH3+CH2CH2CHO                     +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET5-3O=IC3H7CHO+CH2CHO                        +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6KET5-4O=HCO+DC5H10O                            +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q11A-2=IC6D1-1AOOH+HO2                         +8.38000000E+009 +9.20000000E-001 +1.45000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q12-1A=IC6D1-1AOOH+HO2                         +3.89000000E+013 -1.50000000E-001 +1.55000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q12-3=IC6D2-1OOH+HO2                           +3.01000000E+011 +3.50000000E-001 +1.52000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q13-2=IC6D2-1OOH+HO2                           +7.82000000E+009 +9.00000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q13-4=IC6D3-1OOH+HO2                           +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q14-2=IC6D1-4OOH+HO2                           +8.38000000E+009 +9.20000000E-001 +1.45000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q14-3=IC6D3-1OOH+HO2                           +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q14-5=IC6D4-1OOH+HO2                           +1.78000000E+012 +2.40000000E-001 +1.57000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q15-2=IC6D1-5OOH+HO2                           +8.38000000E+009 +9.20000000E-001 +1.45000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q15-4=IC6D4-1OOH+HO2                           +6.24000000E+010 +7.20000000E-001 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q23-1=IC6D1-3OOH+HO2                           +3.89000000E+013 -1.50000000E-001 +1.55000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q23-4=IC6D3-2OOH+HO2                           +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q24-1=IC6D1-4OOH+HO2                           +3.89000000E+013 -1.50000000E-001 +1.55000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q24-3=IC6D2-4OOH+HO2                           +3.01000000E+011 +3.50000000E-001 +1.52000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q24-3=IC6D3-2OOH+HO2                           +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q24-5=IC6D4-2OOH+HO2                           +1.78000000E+012 +2.40000000E-001 +1.57000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q25-1=IC6D1-5OOH+HO2                           +3.89000000E+013 -1.50000000E-001 +1.55000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q25-3=IC6D2-5OOH+HO2                           +3.01000000E+011 +3.50000000E-001 +1.52000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q25-4=IC6D4-2OOH+HO2                           +6.24000000E+010 +7.20000000E-001 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q34-2=IC6D2-4OOH+HO2                           +7.82000000E+009 +9.00000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q34-5=IC6D4-3OOH+HO2                           +1.78000000E+012 +2.40000000E-001 +1.57000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q35-2=IC6D2-5OOH+HO2                           +7.82000000E+009 +9.00000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q35-4=IC6D3-5OOH+HO2                           +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q35-4=IC6D4-3OOH+HO2                           +6.24000000E+010 +7.20000000E-001 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q45-3=IC6D3-5OOH+HO2                           +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1-1AOOH=>C3H4-A+C2H5+CH2O+OH                  +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1-3OOH=>IC3H5CHO+C2H5+OH                      +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1-4OOH=>IC4H7+CH3CHO+OH                       +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1-5OOH=>AC5H9-D+CH2O+OH                       +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2-4OOH=>IC5D2Y4+CH3+OH                        +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D2-5OOH=>IC5D2Y4+CH3+OH                        +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3-1OOH=>C5H92-4+CH2O+OH                       +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D3-2OOH=>NC52ONE-3+CH3+OH                      +6.00000000E+015 +0.00000000E+000 +4.13000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4-1OOH=>C5H91-4+CH2O+OH                       +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4-2OOH=>CH3COCH3+C3H5-A+OH                    +6.00000000E+015 +0.00000000E+000 +4.13000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4-3OOH=>IC3H7+C2H3CHO+OH                      +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q11A-2=IC6O12-1AOOH+OH                         +7.10000000E+012 +0.00000000E+000 +9.35870000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q11A-3=IC6O13-1AOOH+OH                         +1.90200000E+012 +0.00000000E+000 +1.60117000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q11A-4=IC6O14-1AOOH+OH                         +5.54000000E+010 +0.00000000E+000 +9.58900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q11A-5=IC6O15-1AOOH+OH                         +2.08000000E+010 +0.00000000E+000 +1.12601000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q12-1A=IC6O12-1AOOH+OH                         +7.10000000E+012 +0.00000000E+000 +1.26546000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q12-1A=IC6O11A-2OOH+OH                         +6.34000000E+011 +0.00000000E+000 +1.67717000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q12-3=IC6O13-2OOH+OH                           +9.51000000E+011 +0.00000000E+000 +1.57228000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q12-3=IC6O23-1OOH+OH                           +3.55000000E+012 +0.00000000E+000 +1.19846000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q12-4=IC6O14-2OOH+OH                           +2.77000000E+010 +0.00000000E+000 +9.58900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q12-4=IC6O24-1OOH+OH                           +6.34000000E+011 +0.00000000E+000 +1.74178000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q12-5=IC6O15-2OOH+OH                           +1.04000000E+010 +0.00000000E+000 +1.12601000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q12-5=IC6O25-1OOH+OH                           +5.54000000E+010 +0.00000000E+000 +1.27813000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q13-1A=IC6O13-1AOOH+OH                         +6.34000000E+011 +0.00000000E+000 +1.67261000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q13-1A=IC6O11A-3OOH+OH                         +6.34000000E+011 +0.00000000E+000 +1.67337000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q13-2=IC6O12-3OOH+OH                           +3.55000000E+012 +0.00000000E+000 +9.35870000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q13-2=IC6O23-1OOH+OH                           +3.55000000E+012 +0.00000000E+000 +9.34660000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q13-4=IC6O14-3OOH+OH                           +2.77000000E+010 +0.00000000E+000 +9.15570000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q13-4=IC6O24-1OOH+OH                           +6.34000000E+011 +0.00000000E+000 +1.38378000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q13-5=IC6O15-3OOH+OH                           +1.04000000E+010 +0.00000000E+000 +1.12601000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q13-5=IC6O35-1OOH+OH                           +6.34000000E+011 +0.00000000E+000 +1.67261000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q14-1A=IC6O14-1AOOH+OH                         +2.77000000E+010 +0.00000000E+000 +1.06607000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q14-1A=IC6O11A-4OOH+OH                         +6.34000000E+011 +0.00000000E+000 +1.67337000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q14-2=IC6O12-4OOH+OH                           +3.55000000E+012 +0.00000000E+000 +9.35870000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q14-2=IC6O24-1OOH+OH                           +1.26800000E+012 +0.00000000E+000 +1.54720000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q14-3=IC6O13-4OOH+OH                           +9.51000000E+011 +0.00000000E+000 +1.57228000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q14-3=IC6O34-1OOH+OH                           +1.77500000E+012 +0.00000000E+000 +1.17338000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q14-5=IC6O15-4OOH+OH                           +1.04000000E+010 +0.00000000E+000 +1.13011000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q14-5=IC6O45-1OOH+OH                           +3.55000000E+012 +0.00000000E+000 +1.14038000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q15-1A=IC6O15-1AOOH+OH                         +1.04000000E+010 +0.00000000E+000 +1.12601000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q15-1A=IC6O11A-5OOH+OH                         +6.34000000E+011 +0.00000000E+000 +1.67337000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q15-2=IC6O12-5OOH+OH                           +3.55000000E+012 +0.00000000E+000 +9.35870000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q15-2=IC6O25-1OOH+OH                           +5.54000000E+010 +0.00000000E+000 +9.79090000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q15-3=IC6O13-5OOH+OH                           +9.51000000E+011 +0.00000000E+000 +1.60117000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q15-3=IC6O35-1OOH+OH                           +9.51000000E+011 +0.00000000E+000 +1.60117000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q15-4=IC6O14-5OOH+OH                           +2.77000000E+010 +0.00000000E+000 +9.15570000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q15-4=IC6O45-1OOH+OH                           +3.55000000E+012 +0.00000000E+000 +9.74590000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q23-1=IC6O12-3OOH+OH                           +7.10000000E+012 +0.00000000E+000 +1.26546000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q23-1=IC6O13-2OOH+OH                           +6.34000000E+011 +0.00000000E+000 +1.67641000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q23-4=IC6O24-3OOH+OH                           +6.34000000E+011 +0.00000000E+000 +1.71290000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q23-4=IC6O34-2OOH+OH                           +1.77500000E+012 +0.00000000E+000 +1.17338000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q23-5=IC6O25-3OOH+OH                           +5.54000000E+010 +0.00000000E+000 +1.27813000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q23-5=IC6O35-2OOH+OH                           +6.34000000E+011 +0.00000000E+000 +1.67261000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q24-1=IC6O12-4OOH+OH                           +7.10000000E+012 +0.00000000E+000 +1.26546000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q24-1=IC6O14-2OOH+OH                           +2.77000000E+010 +0.00000000E+000 +1.07177000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q24-3=IC6O23-4OOH+OH                           +3.55000000E+012 +0.00000000E+000 +1.19846000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q24-3=IC6O34-2OOH+OH                           +1.77500000E+012 +0.00000000E+000 +1.17338000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q24-5=IC6O25-4OOH+OH                           +5.54000000E+010 +0.00000000E+000 +1.28383000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q24-5=IC6O45-2OOH+OH                           +3.55000000E+012 +0.00000000E+000 +1.14038000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q25-1=IC6O12-5OOH+OH                           +7.10000000E+012 +0.00000000E+000 +1.26546000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q25-1=IC6O15-2OOH+OH                           +1.04000000E+010 +0.00000000E+000 +1.13011000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q25-3=IC6O23-5OOH+OH                           +3.55000000E+012 +0.00000000E+000 +1.19846000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q25-3=IC6O35-2OOH+OH                           +9.51000000E+011 +0.00000000E+000 +1.57228000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q25-4=IC6O24-5OOH+OH                           +6.34000000E+011 +0.00000000E+000 +1.71290000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q25-4=IC6O45-2OOH+OH                           +3.55000000E+012 +0.00000000E+000 +9.74590000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q34-1=IC6O13-4OOH+OH                           +6.34000000E+011 +0.00000000E+000 +1.67261000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q34-1=IC6O14-3OOH+OH                           +2.77000000E+010 +0.00000000E+000 +1.06607000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q34-2=IC6O23-4OOH+OH                           +3.55000000E+012 +0.00000000E+000 +9.34660000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q34-2=IC6O24-3OOH+OH                           +1.26800000E+012 +0.00000000E+000 +1.54720000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q34-5=IC6O35-4OOH+OH                           +6.34000000E+011 +0.00000000E+000 +1.67641000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q34-5=IC6O45-3OOH+OH                           +3.55000000E+012 +0.00000000E+000 +1.14038000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q35-1=IC6O13-5OOH+OH                           +6.34000000E+011 +0.00000000E+000 +1.67261000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q35-1=IC6O15-3OOH+OH                           +1.04000000E+010 +0.00000000E+000 +1.12601000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q35-2=IC6O23-5OOH+OH                           +3.55000000E+012 +0.00000000E+000 +9.34660000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q35-2=IC6O25-3OOH+OH                           +5.54000000E+010 +0.00000000E+000 +9.79090000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q35-4=IC6O34-5OOH+OH                           +1.77500000E+012 +0.00000000E+000 +1.17338000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q35-4=IC6O45-3OOH+OH                           +3.55000000E+012 +0.00000000E+000 +9.74590000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q45-1=IC6O14-5OOH+OH                           +2.77000000E+010 +0.00000000E+000 +1.06607000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q45-1=IC6O15-4OOH+OH                           +1.04000000E+010 +0.00000000E+000 +1.12601000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q45-2=IC6O24-5OOH+OH                           +1.26800000E+012 +0.00000000E+000 +1.53048000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q45-2=IC6O25-4OOH+OH                           +5.54000000E+010 +0.00000000E+000 +9.54010000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q45-3=IC6O34-5OOH+OH                           +1.77500000E+012 +0.00000000E+000 +1.17338000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6Q45-3=IC6O35-4OOH+OH                           +9.51000000E+011 +0.00000000E+000 +1.57228000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O11A-2OOH=>NC3H7COCH2+CH2O+OH                  +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O11A-3OOH=>C2H5CHO+C3H5O+OH                    +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O11A-4OOH=>CH3CHO+CC4H7O-IJ+OH                 +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!DONG 0423!IC6O11A-5OOH=>CH2O+A-AC5H10O-DJ+OH                +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O11A-5OOH=>CH2O+C2H4+C3H5O+OH                +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

IC6O12-1AOOH=>CH2O+NC3H7COCH2+OH                  +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O12-3OOH=>CH3COCH2+C2H5CHO+OH                  +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O12-4OOH=>IC4H7O+CH3CHO+OH                     +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O12-4OOH=>CH3COCH2+CH2CHO+CH3+OH               +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O12-5OOH=>A-BC5H10O-DJ+CH2O+OH                 +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O13-1AOOH=>C5H9O1-3+CH2O+OH                    +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O13-2OOH=>CH3COCH2+C2H5CHO+OH                  +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O13-4OOH=>IC3H6CHO+CH3CHO+OH                   +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O13-5OOH=>CH2O+CC5H9-AO+OH                     +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O14-1AOOH=>CH2O+C5H91-4O+OH                    +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O14-2OOH=>CH3CHCH2COCH3+CH2O+OH                +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O14-3OOH=>IC3H6CHO+CH3CHO+OH                   +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O14-5OOH=>DC5H9O-A+CH2O+OH                     +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O15-1AOOH=>CH2O+C5H91-5O+OH                    +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O15-2OOH=>CH2CH2CH2COCH3+CH2O+OH               +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O15-3OOH=>CHOIC3H6O+C2H4+OH                    +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O15-4OOH=>DC5H9O-A+CH2O+OH                     +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O23-1OOH=>CH3CH2CHCOCH3+CH2O+OH                +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O23-4OOH=>TC3H6CHO+CH3CHO+OH                   +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!DONG 0423!IC6O23-5OOH=>IC5O23-4J+CH2O+OH                    +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O23-5OOH=>C2H3+CH3COCH3+CH2O+OH                +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

IC6O24-1OOH=>CH3CHCH2COCH3+CH2O+OH                +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O24-3OOH=>CH3COCH3+CH3CHCHO+OH                 +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O24-3OOH=>TC3H6CHO+CH3CHO+OH                   +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O24-5OOH=>DC5H9O-B+CH2O+OH                     +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O25-1OOH=>CH2CH2CH2COCH3+CH2O+OH               +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O25-3OOH=>CH2CH2CHO+CH3COCH3+OH                +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O25-4OOH=>DC5H9O-B+CH2O+OH                     +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O34-1OOH=>C5H9O23-4+CH2O+OH                    +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O34-2OOH=>CH3CHCHO+CH3COCH3+OH                 +1.00000000E+015 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O34-5OOH=>DC5H9O-C+CH2O+OH                     +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O35-1OOH=>C5H92-5O+CH2O+OH                     +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O35-2OOH=>CH3COCH3+CH2CH2CHO+OH                +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O35-4OOH=>IC3H7CHO+CH2CHO+OH                   +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O35-4OOH=>DC5H9O-C+CH2O+OH                     +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O45-1OOH=>C5H9O12-4+CH2O+OH                    +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O45-2OOH=>CH3COCH3+C3H5O+OH                    +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O45-3OOH=>IC3H7CHO+CH2CHO+OH                   +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O1-1A+OH=>C2H3CHO+NC3H7+H2O                    +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O1-1A+OH=>HCO+C5H10-1+H2O                      +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O1-2+OH=>IC3H5CHO+C2H5+H2O                     +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O1-3+OH=>HCO+C5H10-2+H2O                       +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O1-3+OH=>C2H5CO+C3H6+H2O                       +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O1-4+OH=>CH3CHCHO+C3H6+H2O                     +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O1-4+OH=>CH3COCH2+C3H6+H2O                     +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O1-5+OH=>CH2CH2CHO+C3H6+H2O                    +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O1-5+OH=>IC3H6CHO+C2H4+H2O                     +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O2-3+OH=>IC3H6CO+C2H5+H2O                      +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O2-4+OH=>CH3CO+IC4H8+H2O                       +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O2-5+OH=>CH2CHO+IC4H8+H2O                      +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O3-4+OH=>CH3CHCO+IC3H7+H2O                     +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O3-4+OH=>IC3H7CHCO+CH3+H2O                     +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O3-5+OH=>IC3H7CO+C2H4+H2O                      +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O3-5+OH=>HCO+CC5H10+H2O                        +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O4-5+OH=>C2H3CHO+IC3H7+H2O                     +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O4-5+OH=>CH2CO+IC4H9+H2O                       +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O1-1A+HO2=>C2H3CHO+NC3H7+H2O2                  +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O1-1A+HO2=>HCO+C5H10-1+H2O2                    +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O1-2+HO2=>IC3H5CHO+C2H5+H2O2                   +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O1-3+HO2=>HCO+C5H10-2+H2O2                     +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O1-3+HO2=>C2H5CO+C3H6+H2O2                     +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O1-4+HO2=>CH3CHCHO+C3H6+H2O2                   +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O1-4+HO2=>CH3COCH2+C3H6+H2O2                   +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O1-5+HO2=>CH2CH2CHO+C3H6+H2O2                  +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O1-5+HO2=>IC3H6CHO+C2H4+H2O2                   +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O2-3+HO2=>IC3H6CO+C2H5+H2O2                    +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O2-4+HO2=>CH3CO+IC4H8+H2O2                     +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O2-5+HO2=>CH2CHO+IC4H8+H2O2                    +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O3-4+HO2=>CH3CHCO+IC3H7+H2O2                   +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O3-4+HO2=>IC3H7CHCO+CH3+H2O2                   +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!DONG 0423
IC3H7CHCO+OH=>PC4H9+CO2                            3.00E+12    0.000       0 

IC6O3-5+HO2=>IC3H7CO+C2H4+H2O2                    +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O3-5+HO2=>HCO+CC5H10+H2O2                      +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O4-5+HO2=>C2H3CHO+IC3H7+H2O2                   +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6O4-5+HO2=>CH2CO+IC4H9+H2O2                     +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H9O12-4=CH2CHO+C3H6                             +1.33000000E+021 -2.30000000E+000 +2.50840000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H9O23-4=CH3+SC3H5CHO                            +1.33000000E+021 -2.30000000E+000 +2.50840000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H8CHO4-2=CH3CHCHO+C2H4                          +1.33000000E+021 -2.30000000E+000 +2.50840000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CC4H7O-IJ=C3H5-A+CH2O                             +1.33000000E+021 -2.30000000E+000 +2.50840000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
A-BC5H10O-DJ=CH3COCH2+C2H4                        +1.33000000E+021 -2.30000000E+000 +2.50840000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CC5H9-AO=C4H71-3+CH2O                             +1.33000000E+021 -2.30000000E+000 +2.50840000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H91-4O=C3H5-A+CH3CHO                            +1.33000000E+021 -2.30000000E+000 +2.50840000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H92-5O=C4H71-3+CH2O                             +1.33000000E+021 -2.30000000E+000 +2.50840000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D13+H=IC6D13-1AR+H2                            +6.02000000E+005 +2.40000000E+000 +2.58300000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D13+O=IC6D13-1AR+OH                            +3.97000000E+005 +2.40000000E+000 +1.15000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D13+OH=IC6D13-1AR+H2O                          +4.84000000E+006 +1.80000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D13+O2=IC6D13-1AR+HO2                          +7.00000000E+012 +0.00000000E+000 +4.80000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D13+HO2=IC6D13-1AR+H2O2                        +6.50000000E+002 +3.00000000E+000 +1.20900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D13+H=IC6D13-5R+H2                             +6.02000000E+005 +2.40000000E+000 +2.58300000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D13+O=IC6D13-5R+OH                             +3.97000000E+005 +2.40000000E+000 +1.15000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D13+OH=IC6D13-5R+H2O                           +4.84000000E+006 +1.80000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D13+O2=IC6D13-5R+HO2                           +7.00000000E+012 +0.00000000E+000 +4.80000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D13+HO2=IC6D13-5R+H2O2                         +6.50000000E+002 +3.00000000E+000 +1.20900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H4-A+C3H5-S=IC6D13-1AR                          +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC5D124+CH3=IC6D13-5R                             +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D1-4=IC6D13+H                                  +1.32000000E+005 +2.28000000E+000 +3.32460000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D24+OH=IC6D13-5R+H2O                           +3.12000000E+006 +2.00000000E+000 -2.98000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D24+H=IC6D13-5R+H2                             +1.73000000E+005 +2.50000000E+000 +2.49200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D24+O=IC6D13-5R+OH                             +4.41000000E+005 +2.42000000E+000 +3.15000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D24+O2=IC6D13-5R+HO2                           +3.30000000E+012 +0.00000000E+000 +3.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D24+HO2=IC6D13-5R+H2O2                         +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC6D4-2=IC6D24+H                                  +1.32000000E+005 +2.28000000E+000 +3.32460000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC5D124+H=NC5D124-5R+H2                           +6.65000000E+005 +2.53000000E+000 +1.22400000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC5D124+O=NC5D124-5R+OH                           +3.75000000E+006 +1.90000000E+000 +3.74000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC5D124+OH=NC5D124-5R+H2O                         +3.10000000E+006 +2.00000000E+000 +3.43000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H2+C3H3=NC5D124-5R                              +3.16000000E+011 +0.00000000E+000 +6.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-1+H=I3C6                                     +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-2+H=I3C6                                     +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-3+H=I3C6                                     +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-4+H=I3C6                                     +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
AC5H11+CH3=I3C6                                   +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
SC4H9+C2H5=I3C6                                   +8.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H11-3+CH3=I3C6                                  +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+H=I3C6-1+H2                                  +3.49000000E+005 +2.69000000E+000 +6.45000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+H=I3C6-2+H2                                  +2.60000000E+006 +2.40000000E+000 +4.47100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+H=I3C6-3+H2                                  +6.02000000E+005 +2.40000000E+000 +2.58300000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+H=I3C6-4+H2                                  +1.74500000E+005 +2.69000000E+000 +6.45000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+O=I3C6-1+OH                                  +1.13000000E+014 +0.00000000E+000 +7.85000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+O=I3C6-2+OH                                  +5.62000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+O=I3C6-3+OH                                  +3.97000000E+005 +2.40100000E+000 +1.15000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+O=I3C6-4+OH                                  +5.65000000E+013 +0.00000000E+000 +7.85000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+OH=I3C6-1+H2O                                +2.73100000E+007 +1.81300000E+000 +8.68400000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+OH=I3C6-2+H2O                                +1.41000000E+010 +9.35000000E-001 +5.04700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+OH=I3C6-3+H2O                                +7.00000000E+010 +5.76000000E-001 -6.96000000E+001 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+OH=I3C6-4+H2O                                +1.67500000E+006 +2.08000000E+000 +3.75600000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+CH3=I3C6-1+CH4                               +9.04000000E-001 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+CH3=I3C6-2+CH4                               +3.02000000E+000 +3.46000000E+000 +5.48100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+CH3=I3C6-3+CH4                               +6.01000000E-010 +6.36000000E+000 +8.93000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+CH3=I3C6-4+CH4                               +4.52000000E-001 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+HO2=I3C6-1+H2O2                              +2.08000000E+001 +3.59000000E+000 +1.56000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+HO2=I3C6-2+H2O2                              +1.26000000E+002 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+HO2=I3C6-3+H2O2                              +6.50000000E+002 +3.01000000E+000 +1.20900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+HO2=I3C6-4+H2O2                              +1.04000000E+001 +3.59000000E+000 +1.56000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+CH3O2=I3C6-1+CH3O2H                          +1.39000000E+000 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+CH3O2=I3C6-2+CH3O2H                          +2.04000000E+001 +3.58000000E+000 +1.48100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+CH3O2=I3C6-3+CH3O2H                          +2.62000000E+002 +3.12000000E+000 +1.11000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+CH3O2=I3C6-4+CH3O2H                          +6.95000000E-001 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+CH3O=I3C6-1+CH3OH                            +4.34000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+CH3O=I3C6-2+CH3OH                            +2.90000000E+011 +0.00000000E+000 +4.57100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+CH3O=I3C6-3+CH3OH                            +1.90000000E+010 +0.00000000E+000 +2.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+CH3O=I3C6-4+CH3OH                            +2.17000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+O2=I3C6-1+HO2                                +4.20000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+O2=I3C6-2+HO2                                +2.80000000E+013 +0.00000000E+000 +5.01600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+O2=I3C6-3+HO2                                +7.00000000E+012 +0.00000000E+000 +4.80000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+O2=I3C6-4+HO2                                +2.10000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+C2H5=I3C6-1+C2H6                             +1.00000000E+011 +0.00000000E+000 +1.34000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+C2H5=I3C6-2+C2H6                             +1.00000000E+011 +0.00000000E+000 +1.04000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+C2H5=I3C6-3+C2H6                             +1.00000000E+011 +0.00000000E+000 +7.90000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+C2H5=I3C6-4+C2H6                             +5.00000000E+010 +0.00000000E+000 +1.34000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+C2H3=I3C6-1+C2H4                             +1.00000000E+012 +0.00000000E+000 +1.80000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+C2H3=I3C6-2+C2H4                             +8.00000000E+011 +0.00000000E+000 +1.68000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+C2H3=I3C6-3+C2H4                             +2.00000000E+011 +0.00000000E+000 +1.43000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+C2H3=I3C6-4+C2H4                             +5.00000000E+011 +0.00000000E+000 +1.80000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+O2CHO=I3C6-1+HO2CHO                          +1.39000000E+000 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+O2CHO=I3C6-2+HO2CHO                          +2.04000000E+001 +3.58000000E+000 +1.48100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+O2CHO=I3C6-3+HO2CHO                          +2.62000000E+002 +3.12000000E+000 +1.11000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6+O2CHO=I3C6-4+HO2CHO                          +6.95000000E-001 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-1=C2H4+SC4H9                                 +3.07700000E+015 -5.60000000E-001 +2.65373000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-2=C5H10-2+CH3                                +5.79500000E+011 +6.60000000E-001 +3.03193000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-2=C4H8-2+C2H5                                +1.20600000E+013 +3.00000000E-002 +2.84306000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-3=AC5H10+CH3                                 +1.04900000E+010 +1.34000000E+000 +2.89300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-4=C4H8-1+C2H5                                +2.07500000E+014 -2.70000000E-001 +2.89319000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-1+O2=I3C6D1+HO2                              +8.04700000E+000 +3.32000000E+000 +1.28572000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-2+O2=I3C6D1+HO2                              +2.64500000E+001 +3.23000000E+000 +1.05918000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-2+O2=I3C6D2+HO2                              +4.02400000E+000 +3.32000000E+000 +1.08570000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-3+O2=I3C6D2+HO2                              +1.60900000E+001 +3.32000000E+000 +1.28572000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-3+O2=I3C6D3+HO2                              +2.64500000E+001 +3.23000000E+000 +1.05918000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-4+O2=I3C6D3+HO2                              +4.02400000E+000 +3.32000000E+000 +1.08570000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-1=I3C6-4                                     +3.00000000E+011 +0.00000000E+000 +2.11000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-1=I3C6-2                                     +2.00000000E+011 +0.00000000E+000 +1.81000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+OH=I3C6D1-3+H2O                            +6.14000000E+002 +3.20000000E+000 -3.50000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+OH=I3C6D1-4+H2O                            +1.67500000E+006 +2.08000000E+000 +3.75600000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+OH=I3C6D1-5+H2O                            +7.05000000E+009 +9.35000000E-001 +5.04700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+OH=I3C6D1-6+H2O                            +1.36600000E+007 +1.81300000E+000 +8.68400000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+OH=I3C6D1-3+H2O                            +3.12000000E+006 +2.00000000E+000 -2.98000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+OH=I3C6D3-2+H2O                            +3.12000000E+006 +2.00000000E+000 -2.98000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+OH=I3C6D2-5+H2O                            +2.76000000E+004 +2.64000000E+000 -1.91900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+OH=I3C6D2-6+H2O                            +1.36600000E+007 +1.81300000E+000 +8.68400000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D3+OH=I3C6D3-1+H2O                            +2.73100000E+007 +1.81300000E+000 +8.68400000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D3+OH=I3C6D3-2+H2O                            +5.52000000E+004 +2.64000000E+000 -1.91900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+H=I3C6D1-3+H2                              +2.65000000E+006 +2.20000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+H=I3C6D1-4+H2                              +1.74500000E+005 +2.69000000E+000 +6.45000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+H=I3C6D1-5+H2                              +1.30000000E+006 +2.40000000E+000 +4.47100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+H=I3C6D1-6+H2                              +1.74500000E+005 +2.69000000E+000 +6.45000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+H=I3C6D1-3+H2                              +1.73000000E+005 +2.50000000E+000 +2.49200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+H=I3C6D3-2+H2                              +1.73000000E+005 +2.50000000E+000 +2.49200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+H=I3C6D2-5+H2                              +3.38000000E+005 +2.36000000E+000 +2.07000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+H=I3C6D2-6+H2                              +1.74500000E+005 +2.69000000E+000 +6.45000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D3+H=I3C6D3-1+H2                              +3.49000000E+005 +2.69000000E+000 +6.45000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D3+H=I3C6D3-2+H2                              +6.76000000E+005 +2.36000000E+000 +2.07000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+O=I3C6D1-3+OH                              +3.30000000E+005 +2.43000000E+000 -7.90000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+O=I3C6D1-4+OH                              +5.65000000E+013 +0.00000000E+000 +7.85000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+O=I3C6D1-5+OH                              +2.81000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+O=I3C6D1-6+OH                              +5.65000000E+013 +0.00000000E+000 +7.85000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+O=I3C6D1-3+OH                              +4.41000000E+005 +2.42000000E+000 +3.15000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+O=I3C6D3-2+OH                              +4.41000000E+005 +2.42000000E+000 +3.15000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+O=I3C6D2-5+OH                              +6.60000000E+005 +2.43000000E+000 +1.21000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+O=I3C6D2-6+OH                              +5.65000000E+013 +0.00000000E+000 +7.85000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D3+O=I3C6D3-1+OH                              +1.13000000E+014 +0.00000000E+000 +7.85000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D3+O=I3C6D3-2+OH                              +1.32000000E+006 +2.43000000E+000 +1.21000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+O2=I3C6D1-3+HO2                            +1.10000000E+012 +0.00000000E+000 +3.52200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+O2=I3C6D1-4+HO2                            +2.10000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+O2=I3C6D1-5+HO2                            +1.40000000E+013 +0.00000000E+000 +5.01600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+O2=I3C6D1-6+HO2                            +2.10000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+O2=I3C6D1-3+HO2                            +3.30000000E+012 +0.00000000E+000 +3.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+O2=I3C6D3-2+HO2                            +3.30000000E+012 +0.00000000E+000 +3.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+O2=I3C6D2-5+HO2                            +2.20000000E+012 +0.00000000E+000 +3.72200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+O2=I3C6D2-6+HO2                            +2.10000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D3+O2=I3C6D3-1+HO2                            +4.20000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D3+O2=I3C6D3-2+HO2                            +4.40000000E+012 +0.00000000E+000 +3.72200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+HO2=I3C6D1-3+H2O2                          +1.81000000E+003 +2.50000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+HO2=I3C6D1-4+H2O2                          +2.04000000E+001 +3.59000000E+000 +1.71600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+HO2=I3C6D1-5+H2O2                          +9.48000000E+001 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+HO2=I3C6D1-6+H2O2                          +2.04000000E+001 +3.59000000E+000 +1.71600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+HO2=I3C6D1-3+H2O2                          +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+HO2=I3C6D3-2+H2O2                          +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+HO2=I3C6D2-5+H2O2                          +4.82000000E+003 +2.55000000E+000 +1.05300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+HO2=I3C6D2-6+H2O2                          +2.04000000E+001 +3.59000000E+000 +1.71600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D3+HO2=I3C6D3-1+H2O2                          +4.08000000E+001 +3.59000000E+000 +1.71600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D3+HO2=I3C6D3-2+H2O2                          +9.64000000E+003 +2.55000000E+000 +1.05300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+CH3=I3C6D1-3+CH4                           +4.61000000E+000 +3.10000000E+000 +2.33000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+CH3=I3C6D1-4+CH4                           +4.52000000E-001 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+CH3=I3C6D1-5+CH4                           +1.51000000E+000 +3.46000000E+000 +5.48100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+CH3=I3C6D1-6+CH4                           +4.52000000E-001 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+CH3=I3C6D1-3+CH4                           +2.21000000E+000 +3.50000000E+000 +5.67500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+CH3=I3C6D3-2+CH4                           +2.21000000E+000 +3.50000000E+000 +5.67500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+CH3=I3C6D2-5+CH4                           +3.69000000E+000 +3.31000000E+000 +4.00200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+CH3=I3C6D2-6+CH4                           +4.52000000E-001 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D3+CH3=I3C6D3-1+CH4                           +9.04000000E-001 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D3+CH3=I3C6D3-2+CH4                           +7.38000000E+000 +3.31000000E+000 +4.00200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+CH3O=I3C6D1-3+CH3OH                        +1.00000000E+001 +2.85000000E+000 +5.23100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+CH3O=I3C6D1-4+CH3OH                        +2.17000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+CH3O=I3C6D1-5+CH3OH                        +1.45000000E+011 +0.00000000E+000 +4.57100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+CH3O=I3C6D1-6+CH3OH                        +2.17000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+CH3O=I3C6D1-3+CH3OH                        +9.00000000E+001 +2.95000000E+000 +1.19900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+CH3O=I3C6D3-2+CH3OH                        +9.00000000E+001 +2.95000000E+000 +1.19900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+CH3O=I3C6D2-5+CH3OH                        +4.00000000E+001 +2.90000000E+000 +8.60900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+CH3O=I3C6D2-6+CH3OH                        +2.17000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D3+CH3O=I3C6D3-1+CH3OH                        +4.34000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D3+CH3O=I3C6D3-2+CH3OH                        +8.00000000E+001 +2.90000000E+000 +8.60900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+CH3O2=I3C6D1-3+CH3O2H                      +1.81000000E+003 +2.50000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+CH3O2=I3C6D1-4+CH3O2H                      +6.95000000E-001 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+CH3O2=I3C6D1-5+CH3O2H                      +1.02000000E+001 +3.58000000E+000 +1.48100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+CH3O2=I3C6D1-6+CH3O2H                      +6.95000000E-001 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+CH3O2=I3C6D1-3+CH3O2H                      +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+CH3O2=I3C6D3-2+CH3O2H                      +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+CH3O2=I3C6D2-5+CH3O2H                      +4.82000000E+003 +2.55000000E+000 +1.05300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+CH3O2=I3C6D2-6+CH3O2H                      +6.95000000E-001 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D3+CH3O2=I3C6D3-1+CH3O2H                      +1.39000000E+000 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D3+CH3O2=I3C6D3-2+CH3O2H                      +9.64000000E+003 +2.55000000E+000 +1.05300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+O2CHO=I3C6D1-3+HO2CHO                      +1.81000000E+003 +2.50000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+O2CHO=I3C6D1-4+HO2CHO                      +6.95000000E-001 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+O2CHO=I3C6D1-5+HO2CHO                      +1.02000000E+001 +3.58000000E+000 +1.48100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+O2CHO=I3C6D1-6+HO2CHO                      +6.95000000E-001 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+O2CHO=I3C6D1-3+HO2CHO                      +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+O2CHO=I3C6D3-2+HO2CHO                      +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+O2CHO=I3C6D2-5+HO2CHO                      +4.82000000E+003 +2.55000000E+000 +1.05300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+O2CHO=I3C6D2-6+HO2CHO                      +6.95000000E-001 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D3+O2CHO=I3C6D3-1+HO2CHO                      +1.39000000E+000 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D3+O2CHO=I3C6D3-2+HO2CHO                      +9.64000000E+003 +2.55000000E+000 +1.05300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-1=I3C6D1+H                                   +4.00000000E+012 +0.00000000E+000 +3.86000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-2=I3C6D1+H                                   +2.00000000E+013 +0.00000000E+000 +4.04000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-2=I3C6D2+H                                   +5.00000000E+013 +0.00000000E+000 +3.90000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-3=I3C6D2+H                                   +5.00000000E+012 +0.00000000E+000 +4.26000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-3=I3C6D3+H                                   +5.00000000E+012 +0.00000000E+000 +4.36000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-4=I3C6D3+H                                   +5.00000000E+012 +0.00000000E+000 +3.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+OH=CH2O+AC5H11                             +2.00000000E+010 +0.00000000E+000 +4.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+OH=SC4H9CHO+CH3                            +2.00000000E+010 +0.00000000E+000 +4.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+OH=CH3CHO+SC4H9                            +2.00000000E+010 +0.00000000E+000 +4.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+OH=C2H5COCH3+C2H5                          +2.00000000E+010 +0.00000000E+000 +4.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D3+OH=CH2O+C5H11-3                            +2.00000000E+010 +0.00000000E+000 +4.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D3+OH=C2H5COC2H5+CH3                          +2.00000000E+010 +0.00000000E+000 +4.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D3+OH=C2H5COCH3+C2H5                          +2.00000000E+010 +0.00000000E+000 +4.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+OH=I3C6OH1-2J                              +1.00000000E+012 +0.00000000E+000 -1.04200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1+OH=I3C6OH2-1J                              +1.00000000E+012 +0.00000000E+000 -1.04200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+OH=I3C6OH2-3J                              +1.00000000E+012 +0.00000000E+000 -1.04200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2+OH=I3C6OH3-2J                              +1.00000000E+012 +0.00000000E+000 -1.04200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D3+OH=I3C6OH3-4J                              +1.00000000E+012 +0.00000000E+000 -1.04200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D3+OH=I3C6OH4-3J                              +1.00000000E+012 +0.00000000E+000 -1.04200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OH1-2J+O2=I3C6OH1-2O2                         +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OH2-1J+O2=I3C6OH2-1O2                         +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OH2-3J+O2=I3C6OH2-3O2                         +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OH3-2J+O2=I3C6OH3-2O2                         +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OH3-4J+O2=I3C6OH3-4O2                         +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OH4-3J+O2=I3C6OH4-3O2                         +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OH1-2O2=>SC4H9CHO+CH2O+OH                     +2.50000000E+010 +0.00000000E+000 +1.88600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OH2-1O2=>SC4H9CHO+CH2O+OH                     +2.50000000E+010 +0.00000000E+000 +1.88600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OH2-3O2=>CH3CHO+C2H5COCH3+OH                  +2.50000000E+010 +0.00000000E+000 +1.88600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OH3-2O2=>CH3CHO+C2H5COCH3+OH                  +2.50000000E+010 +0.00000000E+000 +1.88600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OH3-4O2=>C2H5COC2H5+CH2O+OH                   +2.50000000E+010 +0.00000000E+000 +1.88600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OH4-3O2=>C2H5COC2H5+CH2O+OH                   +2.50000000E+010 +0.00000000E+000 +1.88600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH3+B13DE2M=I3C6D1-3                              +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H5+C4H61-3=I3C6D1-4                                +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH3+C5H81-3=I3C6D1-5                              +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H4+C4H71-3=I3C6D1-6                             +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H72-2+C2H4=I3C6D2-6                             +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H71-2+C2H4=I3C6D3-1                             +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1-3+O2=I3C6D13+HO2                           +1.07000000E+000 +3.71000000E+000 +7.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1-3+O2=I3C6D25+HO2                           +1.07000000E+000 +3.71000000E+000 +7.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1-4+O2=I3C6D13+HO2                           +1.07000000E+000 +3.71000000E+000 +9.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1-5+O2=I3C6D25+HO2                           +1.07000000E+000 +3.71000000E+000 +9.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1-5+O2=I3C6D15+HO2                           +1.07000000E+000 +3.71000000E+000 +7.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1-6+O2=I3C6D15+HO2                           +1.07000000E+000 +3.71000000E+000 +7.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2-5+O2=I3C6D25+HO2                           +1.07000000E+000 +3.71000000E+000 +7.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2-6+O2=I3C6D25+HO2                           +1.07000000E+000 +3.71000000E+000 +9.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D3-1+O2=I3C6D13+HO2                           +1.07000000E+000 +3.71000000E+000 +9.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D3-2+O2=I3C6D13+HO2                           +1.07000000E+000 +3.71000000E+000 +7.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D13+OH=I3C6D13-5+H2O                          +2.76000000E+004 +2.64000000E+000 -1.91900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D13+OH=I3C6D13-6+H2O                          +1.37000000E+007 +1.81300000E+000 +8.68000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D15+OH=I3C6D15-3+H2O                          +6.14000000E+002 +3.20000000E+000 -3.50000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D15+OH=I3C6D15-4+H2O                          +1.37000000E+007 +1.81300000E+000 +8.68000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D25+OH=I3C6D15-3+H2O                          +3.12000000E+006 +2.00000000E+000 -2.98000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D25+OH=I3C6D13-5+H2O                          +3.12000000E+006 +2.00000000E+000 -2.98000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D13+HO2=I3C6D13-5+H2O2                        +3.91000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D13+HO2=I3C6D13-6+H2O2                        +2.04000000E+001 +3.59000000E+000 +1.71600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D15+HO2=I3C6D15-3+H2O2                        +1.81000000E+003 +2.50000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D15+HO2=I3C6D15-4+H2O2                        +2.04000000E+001 +3.59000000E+000 +1.71600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D25+HO2=I3C6D15-3+H2O2                        +1.73000000E-001 +4.00000000E+000 +1.21030000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D25+HO2=I3C6D13-5+H2O2                        +1.73000000E-001 +4.00000000E+000 +1.21030000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H612+C2H3=I3C6D13-5                             +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H5-I+C2H4=I3C6D13-6                             +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D15-3+O2=C2H3COCH3+CH2CHO                     +1.20000000E+036 -7.25000000E+000 +3.36000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H61-3+C2H3=I3C6D15-4                               +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1-3+HO2=I3C6D1-3O+OH                         +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.10000000E+012 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +2.49000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +3.89000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +1.47000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 /
I3C6D2-5+HO2=I3C6D2-5O+OH                         +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.10000000E+012 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +2.49000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +3.89000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +1.47000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 /
I3C6D3-2+HO2=I3C6D3-2O+OH                         +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.10000000E+012 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +2.49000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +3.89000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +1.47000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 /
I3C6D1-3+HO2=I3C6D1-3OOH                          +2.67000000E+019 -2.70000000E+000 -2.43800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.03000000E+001 +1.24000000E+000 -2.25890000E+004 /
PLOG /                           +1.00000000E-001 +1.85000000E+006 +8.00000000E-002 -1.83310000E+004 /
PLOG /                           +1.00000000E+000 +1.01000000E+013 -1.45000000E+000 -1.17090000E+004 /
PLOG /                           +2.00000000E+000 +7.45000000E+014 -1.87000000E+000 -9.60400000E+003 /
PLOG /                           +5.00000000E+000 +9.25000000E+016 -2.31000000E+000 -6.99100000E+003 /
PLOG /                           +1.00000000E+001 +1.44000000E+018 -2.55000000E+000 -5.26000000E+003 /
PLOG /                           +3.00000000E+001 +1.73000000E+019 -2.71000000E+000 -3.14000000E+003 /
PLOG /                           +5.00000000E+001 +2.67000000E+019 -2.70000000E+000 -2.43800000E+003 /
I3C6D2-5+HO2=I3C6D2-5OOH                          +5.33000000E+019 -2.70000000E+000 -2.43800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.05000000E+001 +1.24000000E+000 -2.25890000E+004 /
PLOG /                           +1.00000000E-001 +3.69000000E+006 +8.00000000E-002 -1.83310000E+004 /
PLOG /                           +1.00000000E+000 +2.02000000E+013 -1.45000000E+000 -1.17090000E+004 /
PLOG /                           +2.00000000E+000 +1.49000000E+015 -1.87000000E+000 -9.60400000E+003 /
PLOG /                           +5.00000000E+000 +1.85000000E+017 -2.31000000E+000 -6.99100000E+003 /
PLOG /                           +1.00000000E+001 +2.88000000E+018 -2.55000000E+000 -5.26000000E+003 /
PLOG /                           +3.00000000E+001 +3.45000000E+019 -2.71000000E+000 -3.14000000E+003 /
PLOG /                           +5.00000000E+001 +5.33000000E+019 -2.70000000E+000 -2.43800000E+003 /
I3C6D3-2+HO2=I3C6D3-2OOH                          +2.67000000E+019 -2.70000000E+000 -2.43800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.03000000E+001 +1.24000000E+000 -2.25890000E+004 /
PLOG /                           +1.00000000E-001 +1.85000000E+006 +8.00000000E-002 -1.83310000E+004 /
PLOG /                           +1.00000000E+000 +1.01000000E+013 -1.45000000E+000 -1.17090000E+004 /
PLOG /                           +2.00000000E+000 +7.45000000E+014 -1.87000000E+000 -9.60400000E+003 /
PLOG /                           +5.00000000E+000 +9.25000000E+016 -2.31000000E+000 -6.99100000E+003 /
PLOG /                           +1.00000000E+001 +1.44000000E+018 -2.55000000E+000 -5.26000000E+003 /
PLOG /                           +3.00000000E+001 +1.73000000E+019 -2.71000000E+000 -3.14000000E+003 /
PLOG /                           +5.00000000E+001 +2.67000000E+019 -2.70000000E+000 -2.43800000E+003 /
I3C6D1-3+CH3O2=I3C6D1-3O+CH3O                     +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.10000000E+012 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +2.49000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +3.89000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +1.47000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 /
I3C6D2-5+CH3O2=I3C6D2-5O+CH3O                     +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.10000000E+012 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +2.49000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +3.89000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +1.47000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 /
I3C6D3-2+CH3O2=I3C6D3-2O+CH3O                     +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.10000000E+012 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +2.49000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +3.89000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +1.47000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 /
I3C6D1-3+C2H5O2=I3C6D1-3O+C2H5O                   +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.10000000E+012 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +2.49000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +3.89000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +1.47000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 /
I3C6D2-5+C2H5O2=I3C6D2-5O+C2H5O                   +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.10000000E+012 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +2.49000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +3.89000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +1.47000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 /
I3C6D3-2+C2H5O2=I3C6D3-2O+C2H5O                   +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.10000000E+012 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +2.49000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +3.89000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +1.47000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 /

I3C6D1-3O=C2H5COCH3+C2H3                          +7.81300000E+013 -2.50000000E-001 +2.23300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1-4O=C5H91-3+CH2O                            +4.47000000E+015 -1.13000000E+000 +4.14000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1-5O=C4H71-3+CH3CHO                          +4.47000000E+015 -1.13000000E+000 +4.14000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CC5H9-A+CH2O=I3C6D1-6O                            +6.25000000E+010 +0.00000000E+000 +1.19000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2-5O=C4H72-2+CH3CHO                          +3.24000000E+022 -2.59000000E+000 +3.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2-6O=AC5H9-C+CH2O                            +6.88000000E+014 -8.90000000E-001 +7.26000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D3-1O=AC5H9-A2+CH2O                           +6.88000000E+014 -8.90000000E-001 +7.26000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D3-2O=C4H71-2+CH3CHO                          +3.23100000E+022 -2.63000000E+000 +3.03100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

I3C6D1=C4H71-3+C2H5                               +1.30200000E+021 -1.63900000E+000 +7.61400000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2=AC5H9-C+CH3                                +1.90000000E+020 -1.58200000E+000 +7.59300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D3=AC5H9-A2+CH3                               +3.80000000E+020 -1.58200000E+000 +7.59300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-1+O2=I3C6-1O2                                +6.86300000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-2+O2=I3C6-2O2                                +3.48600000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-3+O2=I3C6-3O2                                +9.75200000E+011 +3.25000000E-001 -4.17300000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-4+O2=I3C6-4O2                                +6.86300000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-1+HO2=I3C6-1O+OH                             +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-2+HO2=I3C6-2O+OH                             +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-3+HO2=I3C6-3O+OH                             +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-4+HO2=I3C6-4O+OH                             +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-1+CH3O2=I3C6-1O+CH3O                         +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-2+CH3O2=I3C6-2O+CH3O                         +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-3+CH3O2=I3C6-3O+CH3O                         +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-4+CH3O2=I3C6-4O+CH3O                         +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-1+I3C6-1O2=I3C6-1O+I3C6-1O                   +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-2+I3C6-1O2=I3C6-2O+I3C6-1O                   +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-3+I3C6-1O2=I3C6-3O+I3C6-1O                   +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-4+I3C6-1O2=I3C6-4O+I3C6-1O                   +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-1+I3C6-2O2=I3C6-1O+I3C6-2O                   +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-2+I3C6-2O2=I3C6-2O+I3C6-2O                   +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-3+I3C6-2O2=I3C6-3O+I3C6-2O                   +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-4+I3C6-2O2=I3C6-4O+I3C6-2O                   +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-1+I3C6-3O2=I3C6-1O+I3C6-3O                   +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-2+I3C6-3O2=I3C6-2O+I3C6-3O                   +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-3+I3C6-3O2=I3C6-3O+I3C6-3O                   +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-4+I3C6-3O2=I3C6-4O+I3C6-3O                   +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-1+I3C6-4O2=I3C6-1O+I3C6-4O                   +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-2+I3C6-4O2=I3C6-2O+I3C6-4O                   +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-3+I3C6-4O2=I3C6-3O+I3C6-4O                   +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-4+I3C6-4O2=I3C6-4O+I3C6-4O                   +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-1O2=I3C6OOH1-2                               +4.01000000E+008 +1.10000000E+000 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-1O2=I3C6OOH1-3                               +1.23000000E+007 +1.20000000E+000 +1.54000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-1O2=I3C6OOH1-4                               +1.23000000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-1O2=I3C6OOH1-5                               +3.72000000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-1O2=I3C6OOH1-6                               +2.94000000E+005 +1.50000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-2O2=I3C6OOH2-1                               +1.46000000E+009 +1.10000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-2O2=I3C6OOH2-3                               +7.45000000E+009 +6.00000000E-001 +2.73000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-2O2=I3C6OOH2-4                               +1.44000000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-2O2=I3C6OOH2-5                               +7.03000000E+010 +2.00000000E-001 +1.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-2O2=I3C6OOH2-6                               +1.23000000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-3O2=I3C6OOH3-1                               +3.01000000E+008 +1.10000000E+000 +2.19000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-3O2=I3C6OOH3-2                               +1.30000000E+010 +7.00000000E-001 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-3O2=I3C6OOH3-4                               +3.01000000E+009 +1.20000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-4O2=I3C6OOH4-1                               +2.47000000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-4O2=I3C6OOH4-2                               +2.72000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-4O2=I3C6OOH4-3                               +4.62000000E+009 +8.00000000E-001 +2.71000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-1O2=I3C6D1+HO2                               +3.87000000E+007 +1.58000000E+000 +2.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-2O2=I3C6D1+HO2                               +3.60500000E+009 +1.13000000E+000 +3.06000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-2O2=I3C6D2+HO2                               +7.00000000E+010 +7.10000000E-001 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-3O2=I3C6D2+HO2                               +3.36000000E+011 +5.80000000E-001 +2.96000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-3O2=I3C6D3+HO2                               +1.84000000E+010 +8.90000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-4O2=I3C6D3+HO2                               +2.52000000E+008 +1.32000000E+000 +2.79000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-1O2+HO2=I3C6-1OOH+O2                         +1.75000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-2O2+HO2=I3C6-2OOH+O2                         +1.75000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-3O2+HO2=I3C6-3OOH+O2                         +1.75000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-4O2+HO2=I3C6-4OOH+O2                         +1.75000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-1O2+H2O2=I3C6-1OOH+HO2                       +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-2O2+H2O2=I3C6-2OOH+HO2                       +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-3O2+H2O2=I3C6-3OOH+HO2                       +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-4O2+H2O2=I3C6-4OOH+HO2                       +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-1O2+I3C6=I3C6-1OOH+I3C6-1                    +1.21000000E+013 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-2O2+I3C6=I3C6-2OOH+I3C6-1                    +1.21000000E+013 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-3O2+I3C6=I3C6-3OOH+I3C6-1                    +1.21000000E+013 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-4O2+I3C6=I3C6-4OOH+I3C6-1                    +1.21000000E+013 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-1O2+I3C6=I3C6-1OOH+I3C6-2                    +2.01600000E+012 +0.00000000E+000 +1.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-2O2+I3C6=I3C6-2OOH+I3C6-2                    +2.01600000E+012 +0.00000000E+000 +1.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-3O2+I3C6=I3C6-3OOH+I3C6-2                    +2.01600000E+012 +0.00000000E+000 +1.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-4O2+I3C6=I3C6-4OOH+I3C6-2                    +2.01600000E+012 +0.00000000E+000 +1.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-1O2+I3C6=I3C6-1OOH+I3C6-3                    +4.03200000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-2O2+I3C6=I3C6-2OOH+I3C6-3                    +4.03200000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-3O2+I3C6=I3C6-3OOH+I3C6-3                    +4.03200000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-4O2+I3C6=I3C6-4OOH+I3C6-3                    +4.03200000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-1O2+I3C6=I3C6-1OOH+I3C6-4                    +6.04800000E+012 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-2O2+I3C6=I3C6-2OOH+I3C6-4                    +6.04800000E+012 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-3O2+I3C6=I3C6-3OOH+I3C6-4                    +6.04800000E+012 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-4O2+I3C6=I3C6-4OOH+I3C6-4                    +6.04800000E+012 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-1O2+CH3O2=>I3C6-1O+CH3O+O2                   +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-2O2+CH3O2=>I3C6-2O+CH3O+O2                   +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-3O2+CH3O2=>I3C6-3O+CH3O+O2                   +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-4O2+CH3O2=>I3C6-4O+CH3O+O2                   +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-1O2+I3C6-1O2=>I3C6-1O+I3C6-1O+O2             +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-2O2+I3C6-1O2=>I3C6-2O+I3C6-1O+O2             +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-3O2+I3C6-1O2=>I3C6-3O+I3C6-1O+O2             +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-4O2+I3C6-1O2=>I3C6-4O+I3C6-1O+O2             +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-2O2+I3C6-2O2=>I3C6-2O+I3C6-2O+O2             +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-3O2+I3C6-2O2=>I3C6-3O+I3C6-2O+O2             +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-4O2+I3C6-2O2=>I3C6-4O+I3C6-2O+O2             +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-3O2+I3C6-3O2=>I3C6-3O+I3C6-3O+O2             +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-4O2+I3C6-3O2=>I3C6-4O+I3C6-3O+O2             +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-4O2+I3C6-4O2=>I3C6-4O+I3C6-4O+O2             +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-1OOH=I3C6-1O+OH                              +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-2OOH=I3C6-2O+OH                              +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-3OOH=I3C6-3O+OH                              +6.00000000E+015 +0.00000000E+000 +4.12000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6-4OOH=I3C6-4O+OH                              +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH2O+AC5H11=I3C6-1O                               +6.25000000E+010 +0.00000000E+000 +1.19000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
SC4H9CHO+CH3=I3C6-2O                              +7.50000000E+010 +0.00000000E+000 +1.19000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH3CHO+SC4H9=I3C6-2O                              +7.50000000E+010 +0.00000000E+000 +1.19000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H5COC2H5+CH3=I3C6-3O                            +8.50000000E+010 +0.00000000E+000 +1.19000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H5COCH3+C2H5=I3C6-3O                            +8.50000000E+010 +0.00000000E+000 +1.19000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H11-3+CH2O=I3C6-4O                              +6.25000000E+010 +0.00000000E+000 +1.19000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-2=I3C6O1-2+OH                            +3.55000000E+012 +0.00000000E+000 +8.77780000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-3=I3C6O1-3+OH                            +1.26800000E+012 +0.00000000E+000 +1.47043000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-4=I3C6O1-4+OH                            +5.54000000E+010 +0.00000000E+000 +8.76000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-5=I3C6O1-5+OH                            +2.77000000E+010 +0.00000000E+000 +8.67690000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-6=I3C6O1-6+OH                            +1.04000000E+010 +0.00000000E+000 +1.06040000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-1=I3C6O1-2+OH                            +3.55000000E+012 +0.00000000E+000 +1.04357000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-3=I3C6O2-3+OH                            +3.55000000E+012 +0.00000000E+000 +8.37850000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-4=I3C6O2-4+OH                            +6.34000000E+011 +0.00000000E+000 +1.61181000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-5=I3C6O2-5+OH                            +6.34000000E+011 +0.00000000E+000 +1.63960000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-6=I3C6O1-5+OH                            +2.77000000E+010 +0.00000000E+000 +9.74860000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH3-1=I3C6O1-3+OH                            +6.34000000E+011 +0.00000000E+000 +1.75318000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH3-2=I3C6O2-3+OH                            +3.55000000E+012 +0.00000000E+000 +1.10165000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH3-4=I3C6O3-4+OH                            +7.10000000E+012 +0.00000000E+000 +1.16865000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH4-1=I3C6O1-4+OH                            +5.54000000E+010 +0.00000000E+000 +8.76000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH4-2=I3C6O2-4+OH                            +9.51000000E+011 +0.00000000E+000 +1.54036000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH4-3=I3C6O3-4+OH                            +3.55000000E+012 +0.00000000E+000 +8.39060000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-2=I3C6D1+HO2                             +6.24000000E+010 +7.20000000E-001 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-1=I3C6D1+HO2                             +1.78000000E+012 +2.40000000E-001 +1.57000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-3=I3C6D2+HO2                             +7.82000000E+009 +9.00000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH3-2=I3C6D2+HO2                             +3.01000000E+011 +3.50000000E-001 +1.52000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH3-4=I3C6D3+HO2                             +3.89000000E+013 -1.50000000E-001 +1.55000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH4-3=I3C6D3+HO2                             +8.38000000E+009 +9.20000000E-001 +1.45000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-3=>AC5H10+CH2O+OH                        +3.08100000E+013 +0.00000000E+000 +2.62971000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-4=>CH3CHO+C4H8-1+OH                      +3.08100000E+013 +0.00000000E+000 +2.35420000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-5=>CH3CHO+C4H8-2+OH                      +3.08100000E+013 +0.00000000E+000 +2.37381000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH3-1=>C2H5COCH3+C2H4+OH                     +3.08100000E+013 +0.00000000E+000 +2.32163000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH4-2=>C5H10-2+CH2O+OH                       +3.08100000E+013 +0.00000000E+000 +2.61964000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-4=C4H8-1+C2H4O2H                         +1.39200000E+014 +0.00000000E+000 +2.56905000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-5=C4H8-2+C2H4O2H                         +1.39200000E+014 +0.00000000E+000 +2.60346000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-6=C2H4+C4H8OOH2-3                        +1.39200000E+014 +0.00000000E+000 +2.61369000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH4-1=C2H4+C4H8OOH1-2                        +1.39200000E+014 +0.00000000E+000 +2.61369000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-2+O2=I3C6OOH1-2O2                        +1.74300000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-3+O2=I3C6OOH1-3O2                        +4.87600000E+011 +3.25000000E-001 -4.17300000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-4+O2=I3C6OOH1-4O2                        +3.43100000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-5+O2=I3C6OOH1-5O2                        +1.74300000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-6+O2=I3C6OOH1-6O2                        +3.43100000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-1+O2=I3C6OOH2-1O2                        +3.43100000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-3+O2=I3C6OOH2-3O2                        +4.87600000E+011 +3.25000000E-001 -4.17300000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-4+O2=I3C6OOH2-4O2                        +3.43100000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-5+O2=I3C6OOH2-5O2                        +1.74300000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-6+O2=I3C6OOH2-6O2                        +3.43100000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH3-1+O2=I3C6OOH3-1O2                        +3.43100000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH3-2+O2=I3C6OOH3-2O2                        +1.74300000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH3-4+O2=I3C6OOH3-4O2                        +3.43100000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH4-1+O2=I3C6OOH4-1O2                        +3.43100000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH4-2+O2=I3C6OOH4-2O2                        +1.74300000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH4-3+O2=I3C6OOH4-3O2                        +4.87600000E+011 +3.25000000E-001 -4.17300000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-2O2=I3C6KET1-2+OH                        +2.44000000E+007 +1.60000000E+000 +2.79000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-3O2=I3C6KET1-3+OH                        +1.65000000E+004 +2.40000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-4O2=I3C6KET1-4+OH                        +4.77000000E+003 +1.70000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-5O2=I3C6KET1-5+OH                        +1.26000000E+003 +2.20000000E+000 +1.74000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-6O2=I3C6KET1-6+OH                        +1.11000000E+003 +1.80000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-1O2=I3C6KET2-1+OH                        +2.76000000E+008 +1.20000000E+000 +2.57000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-3O2=I3C6KET2-3+OH                        +2.62000000E+008 +1.70000000E+000 +2.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-4O2=I3C6KET2-4+OH                        +5.79000000E+001 +2.90000000E+000 +1.70000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-5O2=I3C6KET2-5+OH                        +1.75000000E+002 +3.10000000E+000 +1.75000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-6O2=I3C6KET2-6+OH                        +3.77000000E+002 +2.20000000E+000 +1.53000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH4-1O2=I3C6KET4-1+OH                        +4.77000000E+003 +1.70000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH4-2O2=I3C6KET4-2+OH                        +1.10000000E+004 +2.40000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH4-3O2=I3C6KET4-3+OH                        +3.66000000E+007 +1.60000000E+000 +2.79000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH3-1O2=I3C6D1-3OOH+HO2                      +5.82000000E+007 +1.58000000E+000 +2.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH3-2O2=I3C6D1-3OOH+HO2                      +5.40500000E+009 +1.13000000E+000 +3.06000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH4-1O2=I3C6D1-4OOH+HO2                      +5.82000000E+007 +1.58000000E+000 +2.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH4-2O2=I3C6D1-4OOH+HO2                      +5.40500000E+009 +1.13000000E+000 +3.06000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-5O2=I3C6D1-5OOH+HO2                      +5.40500000E+009 +1.13000000E+000 +3.06000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-6O2=I3C6D1-5OOH+HO2                      +5.82000000E+007 +1.58000000E+000 +2.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-5O2=I3C6D1-6OOH+HO2                      +5.40500000E+009 +1.13000000E+000 +3.06000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-6O2=I3C6D1-6OOH+HO2                      +5.82000000E+007 +1.58000000E+000 +2.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-2O2=I3C6D2-1OOH+HO2                      +10.5000000E+010 +7.10000000E-001 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-3O2=I3C6D2-1OOH+HO2                      +3.26000000E+011 +5.80000000E-001 +2.96000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH4-2O2=I3C6D2-4OOH+HO2                      +10.5000000E+010 +7.10000000E-001 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH4-3O2=I3C6D2-4OOH+HO2                      +3.26000000E+011 +5.80000000E-001 +2.96000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-3O2=I3C6D2-5OOH+HO2                      +1.68000000E+011 +5.80000000E-001 +2.96000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-5O2=I3C6D2-5OOH+HO2                      +10.5000000E+010 +7.10000000E-001 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-3O2=I3C6D2-6OOH+HO2                      +3.26000000E+011 +5.80000000E-001 +2.96000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-5O2=I3C6D2-6OOH+HO2                      +10.5000000E+010 +7.10000000E-001 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-3O2=I3C6D3-1OOH+HO2                      +1.88400000E+010 +8.90000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-4O2=I3C6D3-1OOH+HO2                      +3.78000000E+008 +1.32000000E+000 +2.79000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-3O2=I3C6D3-2OOH+HO2                      +1.88400000E+010 +8.90000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-4O2=I3C6D3-2OOH+HO2                      +3.78000000E+008 +1.32000000E+000 +2.79000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-2O2=I3C6Q12-3                            +7.45000000E+009 +6.00000000E-001 +2.73000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-2O2=I3C6Q12-4                            +1.44000000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-2O2=I3C6Q12-5                            +7.03000000E+010 +2.00000000E-001 +1.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-2O2=I3C6Q12-6                            +1.23000000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-3O2=I3C6Q13-2                            +6.51000000E+009 +7.00000000E-001 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-3O2=I3C6Q13-4                            +1.51000000E+009 +1.20000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-3O2=I3C6Q13-5                            +6.51000000E+009 +7.00000000E-001 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-3O2=I3C6Q13-6                            +1.50000000E+008 +1.10000000E+000 +2.19000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-4O2=I3C6Q14-2                            +1.36000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-4O2=I3C6Q14-3                            +2.31000000E+009 +8.00000000E-001 +2.71000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-4O2=I3C6Q14-5                            +1.36000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-4O2=I3C6Q14-6                            +1.23000000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-5O2=I3C6Q15-2                            +7.03000000E+010 +2.00000000E-001 +1.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-5O2=I3C6Q15-3                            +7.45000000E+009 +6.00000000E-001 +2.73000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-5O2=I3C6Q15-4                            +1.44000000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-5O2=I3C6Q15-6                            +1.46000000E+009 +1.10000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-6O2=I3C6Q16-2                            +3.72000000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
I3C6OOH1-6O2=I3C6Q16-2                            +4.01000000E+008 +1.10000000E+000 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
I3C6OOH1-6O2=I3C6Q16-3                            +1.23000000E+007 +1.20000000E+000 +1.54000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH1-6O2=I3C6Q16-4                            +1.23000000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-1O2=I3C6Q12-3                            +1.23000000E+007 +1.20000000E+000 +1.54000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-1O2=I3C6Q12-4                            +1.23000000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-1O2=I3C6Q12-5                            +3.72000000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-1O2=I3C6Q12-6                            +2.94000000E+005 +1.50000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-3O2=I3C6Q23-1                            +1.50000000E+008 +1.10000000E+000 +2.19000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-3O2=I3C6Q23-4                            +1.51000000E+009 +1.20000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-3O2=I3C6Q23-5                            +6.51000000E+009 +7.00000000E-001 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-3O2=I3C6Q23-6                            +1.50000000E+008 +1.10000000E+000 +2.19000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-4O2=I3C6Q24-1                            +1.23000000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-4O2=I3C6Q24-3                            +2.31000000E+009 +8.00000000E-001 +2.71000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-4O2=I3C6Q24-5                            +1.36000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-4O2=I3C6Q24-6                            +1.23000000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-5O2=I3C6Q25-1                            +1.23000000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
I3C6OOH2-5O2=I3C6Q25-1                            +1.46000000E+009 +1.10000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
I3C6OOH2-5O2=I3C6Q25-3                            +7.45000000E+009 +6.00000000E-001 +2.73000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-5O2=I3C6Q25-4                            +1.44000000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-6O2=I3C6Q15-6                            +2.94000000E+005 +1.50000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-6O2=I3C6Q15-3                            +1.23000000E+007 +1.20000000E+000 +1.54000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-6O2=I3C6Q15-4                            +1.23000000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH2-6O2=I3C6Q15-2                            +4.01000000E+008 +1.10000000E+000 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH3-1O2=I3C6Q13-2                            +4.01000000E+008 +1.10000000E+000 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH3-1O2=I3C6Q13-4                            +1.23000000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH3-1O2=I3C6Q13-5                            +3.72000000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH3-1O2=I3C6Q13-6                            +2.94000000E+005 +1.50000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH3-2O2=I3C6Q23-1                            +1.46000000E+009 +1.10000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH3-2O2=I3C6Q23-4                            +1.44000000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH3-2O2=I3C6Q23-5                            +7.03000000E+010 +2.00000000E-001 +1.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH3-2O2=I3C6Q23-6                            +1.23000000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH3-4O2=I3C6Q34-1                            +2.47000000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH3-4O2=I3C6Q34-2                            +2.72000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH4-1O2=I3C6Q14-2                            +4.01000000E+008 +1.10000000E+000 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH4-1O2=I3C6Q14-3                            +1.23000000E+007 +1.20000000E+000 +1.54000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH4-1O2=I3C6Q14-5                            +3.72000000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH4-1O2=I3C6Q14-6                            +2.94000000E+005 +1.50000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH4-2O2=I3C6Q24-1                            +1.46000000E+009 +1.10000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH4-2O2=I3C6Q24-3                            +7.45000000E+009 +6.00000000E-001 +2.73000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH4-2O2=I3C6Q24-5                            +7.03000000E+010 +2.00000000E-001 +1.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH4-2O2=I3C6Q24-6                            +1.23000000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH4-3O2=I3C6Q34-1                            +3.01000000E+008 +1.10000000E+000 +2.19000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6OOH4-3O2=I3C6Q34-2                            +1.30000000E+010 +7.00000000E-001 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q12-4=>HO2CH2CHO+C4H8-1+OH                    +3.08100000E+013 +0.00000000E+000 +2.54586000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q12-5=>HO2CH2CHO+C4H8-2+OH                    +3.08100000E+013 +0.00000000E+000 +2.56547000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q13-6=>NC4KET24+C2H4+OH                       +3.08100000E+013 +0.00000000E+000 +2.34337000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q14-5=>C5H92-5OOH+CH2O+OH                     +3.08100000E+013 +0.00000000E+000 +3.06224000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q15-4=>C4H71-4OOH+CH3CHO+OH                   +3.08100000E+013 +0.00000000E+000 +2.35420000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q16-3=>C5H9A-DOOH+CH2O+OH                     +6.16200000E+013 +0.00000000E+000 +2.62972000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q23-6=>NC4KET23+C2H4+OH                       +3.08100000E+013 +0.00000000E+000 +2.34337000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q24-5=>C4H72-1OOH+CH3CHO+OH                   +3.08100000E+013 +0.00000000E+000 +2.54979000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q24-5=>C5H92-4OOH+CH2O+OH                     +3.08100000E+013 +0.00000000E+000 +2.80357000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q25-4=>C4H71-3OOH+CH3CHO+OH                   +6.16200000E+013 +0.00000000E+000 +2.53601000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q34-1=>NC4KET21+C2H4+OH                       +3.08100000E+013 +0.00000000E+000 +2.53154000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q14-5=C4H72-1OOH+C2H4O2H                      +1.39200000E+014 +0.00000000E+000 +3.68889000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q12-6=C4H72-3,4OOH+C2H4                       +1.39200000E+014 +0.00000000E+000 +2.61369000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q14-6=C4H72-1,4OOH+C2H4                       +1.39200000E+014 +0.00000000E+000 +3.39032000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q16-4=C4H71-4OOH+C2H4O2H                      +2.78400000E+014 +0.00000000E+000 +2.56905000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q24-6=C4H72-1,3OOH+C2H4                       +1.39200000E+014 +0.00000000E+000 +2.61369000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6KET1-2=I3C6KET1-2O+OH                         +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6KET1-3=I3C6KET1-3O+OH                         +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6KET1-4=I3C6KET1-4O+OH                         +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6KET1-5=I3C6KET1-5O+OH                         +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6KET1-6=I3C6KET1-6O+OH                         +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6KET2-1=I3C6KET2-1O+OH                         +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6KET2-3=I3C6KET2-3O+OH                         +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6KET2-4=I3C6KET2-4O+OH                         +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6KET2-5=I3C6KET2-5O+OH                         +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6KET2-6=I3C6KET2-6O+OH                         +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6KET4-1=I3C6KET4-1O+OH                         +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6KET4-2=I3C6KET4-2O+OH                         +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6KET4-3=I3C6KET4-3O+OH                         +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6KET1-2O=HCO+SC4H9CHO                          +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6KET1-3O=CH2CHO+C2H5COCH3                      +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6KET1-4O=PC4H8CHO-2+CH2O                       +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6KET1-5O=C3H6CHO-2+CH3CHO                      +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6KET1-6O=DC5H9O-A+CH2O                         +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6KET2-1O=SC4H9CO+CH2O                          +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6KET2-3O=CH3CO+C2H5COCH3                       +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6KET2-4O=CH3CH2CHCOCH3+CH2O                    +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6KET2-5O=CH3CHCOCH3+CH3CHO                     +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6KET2-6O=IC5Y3-1J+CH2O                         +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6KET4-1O=SC4H8CHO-1+CH2O                       +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6KET4-2O=C3H6CHO-1+CH3CHO                      +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6KET4-3O=HCO+C2H5COC2H5                        +5.80000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q12-3=I3C6D2-1OOH+HO2                         +7.82000000E+009 +9.00000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q13-2=I3C6D2-1OOH+HO2                         +3.01000000E+011 +3.50000000E-001 +1.52000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q13-2=I3C6D1-3OOH+HO2                         +6.24000000E+010 +7.20000000E-001 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q13-4=I3C6D3-1OOH+HO2                         +3.89000000E+013 -1.50000000E-001 +1.55000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q13-5=I3C6D2-6OOH+HO2                         +3.01000000E+011 +3.50000000E-001 +1.52000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q14-2=I3C6D1-4OOH+HO2                         +6.24000000E+010 +7.20000000E-001 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q14-3=I3C6D3-1OOH+HO2                         +8.38000000E+009 +9.20000000E-001 +1.45000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q15-2=I3C6D1-5OOH+HO2                         +6.24000000E+010 +7.20000000E-001 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q15-3=I3C6D2-6OOH+HO2                         +7.82000000E+009 +9.00000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q15-6=I3C6D1-6OOH+HO2                         +1.78000000E+012 +2.40000000E-001 +1.57000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q16-2=I3C6D1-6OOH+HO2                         +6.24000000E+010 +7.20000000E-001 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q23-1=I3C6D1-3OOH+HO2                         +1.78000000E+012 +2.40000000E-001 +1.57000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q23-4=I3C6D3-2OOH+HO2                         +3.89000000E+013 -1.50000000E-001 +1.55000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q23-5=I3C6D2-5OOH+HO2                         +3.01000000E+011 +3.50000000E-001 +1.52000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q24-1=I3C6D1-4OOH+HO2                         +1.78000000E+012 +2.40000000E-001 +1.57000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q24-3=I3C6D2-4OOH+HO2                         +7.82000000E+009 +9.00000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q24-3=I3C6D3-2OOH+HO2                         +8.38000000E+009 +9.20000000E-001 +1.45000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q25-1=I3C6D1-5OOH+HO2                         +1.78000000E+012 +2.40000000E-001 +1.57000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q25-3=I3C6D2-5OOH+HO2                         +7.82000000E+009 +9.00000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q34-2=I3C6D2-4OOH+HO2                         +3.01000000E+011 +3.50000000E-001 +1.52000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1-3OOH=>C2H3COCH3+C2H5+OH                    +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1-3OOH=>C2H3+C2H5COCH3+OH                    +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!DONG 0423!I3C6D3-1OOH=>AC5H9-A2+CH2O+OH                     +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D3-1OOH=>I3C6D3-1O+OH                         +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!DONG 0423!I3C6D2-6OOH=>AC5H9-C+CH2O+OH                      +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2-6OOH=>I3C6D2-6O+OH                         +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!DONG 0423!I3C6D1-4OOH=>C5H91-3+CH2O+OH                      +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1-4OOH=>I3C6D1-4O+OH                         +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!DONG 0423!I3C6D1-5OOH=>C4H71-3+CH3CHO+OH                    +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1-5OOH=>I3C6D1-5O+OH                         +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!DONG 0423!I3C6D1-6OOH=>CC5H9-A+CH2O+OH                      +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D1-6OOH=>I3C6D1-6O+OH                         +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!DONG 0423!I3C6D3-2OOH=>C4H71-2+CH3CHO+OH                    +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D3-2OOH=>I3C6D3-2O+OH                         +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!DONG 0423!I3C6D2-5OOH=>C4H72-2+CH3CHO+OH                    +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6D2-5OOH=>I3C6D2-5O+OH                         +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

I3C6Q12-3=I3C6O23-1OOH+OH                         +3.55000000E+012 +0.00000000E+000 +8.37850000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q12-3=I3C6O13-2OOH+OH                         +1.26800000E+012 +0.00000000E+000 +1.48715000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q12-4=I3C6O24-1OOH+OH                         +6.34000000E+011 +0.00000000E+000 +1.61181000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q12-4=I3C6O14-2OOH+OH                         +5.54000000E+010 +0.00000000E+000 +8.76000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q12-5=I3C6O25-1OOH+OH                         +6.34000000E+011 +0.00000000E+000 +1.63960000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q12-5=I3C6O15-2OOH+OH                         +2.77000000E+010 +0.00000000E+000 +8.67690000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q12-6=I3C6O15-6OOH+OH                         +2.77000000E+010 +0.00000000E+000 +9.74860000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q12-6=I3C6O16-2OOH+OH                         +1.04000000E+010 +0.00000000E+000 +1.06040000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q13-2=I3C6O23-1OOH+OH                         +3.55000000E+012 +0.00000000E+000 +1.10165000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q13-2=I3C6O12-3OOH+OH                         +3.55000000E+012 +0.00000000E+000 +8.77780000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q13-4=I3C6O34-1OOH+OH                         +7.10000000E+012 +0.00000000E+000 +1.16865000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q13-4=I3C6O14-3OOH+OH                         +5.54000000E+010 +0.00000000E+000 +8.81700000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q13-5=I3C6O23-6OOH+OH                         +3.55000000E+012 +0.00000000E+000 +1.14764000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q13-5=I3C6O15-3OOH+OH                         +2.77000000E+010 +0.00000000E+000 +8.67690000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q13-6=I3C6O13-6OOH+OH                         +6.34000000E+011 +0.00000000E+000 +1.75318000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q13-6=I3C6O16-3OOH+OH                         +1.04000000E+010 +0.00000000E+000 +1.06040000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q14-2=I3C6O24-1OOH+OH                         +9.51000000E+011 +0.00000000E+000 +2.14614000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q14-2=I3C6O12-4OOH+OH                         +3.55000000E+012 +0.00000000E+000 +1.88823000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q14-3=I3C6O34-1OOH+OH                         +3.55000000E+012 +0.00000000E+000 +1.84951000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q14-3=I3C6O13-4OOH+OH                         +1.26800000E+012 +0.00000000E+000 +2.12182000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q14-5=I3C6O24-6OOH+OH                         +9.51000000E+011 +0.00000000E+000 +2.17502000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q14-5=I3C6O15-4OOH+OH                         +2.77000000E+010 +0.00000000E+000 +1.81968000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q14-6=I3C6O14-6OOH+OH                         +5.54000000E+010 +0.00000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q14-6=I3C6O16-4OOH+OH                         +1.04000000E+010 +0.00000000E+000 +1.74517000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q15-2=I3C6O25-1OOH+OH                         +6.34000000E+011 +0.00000000E+000 +1.61072000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q15-2=I3C6O12-5OOH+OH                         +3.55000000E+012 +0.00000000E+000 +8.77780000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q15-3=I3C6O23-6OOH+OH                         +3.55000000E+012 +0.00000000E+000 +8.37850000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q15-3=I3C6O13-5OOH+OH                         +1.26800000E+012 +0.00000000E+000 +1.48715000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q15-4=I3C6O24-6OOH+OH                         +6.34000000E+011 +0.00000000E+000 +1.61181000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q15-4=I3C6O14-5OOH+OH                         +5.54000000E+010 +0.00000000E+000 +8.76000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q15-6=I3C6O12-6OOH+OH                         +3.55000000E+012 +0.00000000E+000 +1.04357000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q15-6=I3C6O16-2OOH+OH                         +1.04000000E+010 +0.00000000E+000 +1.06450000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q16-2=I3C6O15-6OOH+OH                         +2.77000000E+010 +0.00000000E+000 +8.24360000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q16-2=I3C6O12-6OOH+OH                         +3.55000000E+012 +0.00000000E+000 +8.77780000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q16-3=I3C6O13-6OOH+OH                         +2.53600000E+012 +0.00000000E+000 +1.47043000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q16-4=I3C6O14-6OOH+OH                         +1.10800000E+011 +0.00000000E+000 +8.76000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q23-1=I3C6O13-2OOH+OH                         +6.34000000E+011 +0.00000000E+000 +1.75698000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q23-1=I3C6O12-3OOH+OH                         +3.55000000E+012 +0.00000000E+000 +1.04357000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q23-4=I3C6O34-2OOH+OH                         +7.10000000E+012 +0.00000000E+000 +1.16260000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q23-4=I3C6O24-3OOH+OH                         +6.34000000E+011 +0.00000000E+000 +1.61181000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q23-5=I3C6O23-5OOH+OH                         +3.55000000E+012 +0.00000000E+000 +1.10165000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q23-5=I3C6O25-3OOH+OH                         +6.34000000E+011 +0.00000000E+000 +1.61072000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q23-6=I3C6O13-5OOH+OH                         +6.34000000E+011 +0.00000000E+000 +1.75318000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q23-6=I3C6O15-3OOH+OH                         +2.77000000E+010 +0.00000000E+000 +9.74860000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q24-1=I3C6O14-2OOH+OH                         +5.54000000E+010 +0.00000000E+000 +8.81700000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q24-1=I3C6O12-4OOH+OH                         +3.55000000E+012 +0.00000000E+000 +1.04357000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q24-3=I3C6O34-2OOH+OH                         +3.55000000E+012 +0.00000000E+000 +8.39060000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q24-3=I3C6O23-4OOH+OH                         +3.55000000E+012 +0.00000000E+000 +8.37850000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q24-5=I3C6O24-5OOH+OH                         +9.51000000E+011 +0.00000000E+000 +1.54036000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q24-5=I3C6O25-4OOH+OH                         +6.34000000E+011 +0.00000000E+000 +1.63960000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q24-6=I3C6O14-5OOH+OH                         +5.54000000E+010 +0.00000000E+000 +8.76000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q24-6=I3C6O15-4OOH+OH                         +2.77000000E+010 +0.00000000E+000 +9.74860000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q25-1=I3C6O15-2OOH+OH                         +2.77000000E+010 +0.00000000E+000 +9.74860000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q25-1=I3C6O12-5OOH+OH                         +3.55000000E+012 +0.00000000E+000 +1.03752000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q25-3=I3C6O23-5OOH+OH                         +7.10000000E+012 +0.00000000E+000 +8.37850000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q25-4=I3C6O24-5OOH+OH                         +1.26800000E+012 +0.00000000E+000 +1.61181000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q34-1=I3C6O14-3OOH+OH                         +5.54000000E+010 +0.00000000E+000 +8.76000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q34-1=I3C6O13-4OOH+OH                         +6.34000000E+011 +0.00000000E+000 +1.75318000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q34-2=I3C6O24-3OOH+OH                         +9.51000000E+011 +0.00000000E+000 +1.51148000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6Q34-2=I3C6O23-4OOH+OH                         +3.55000000E+012 +0.00000000E+000 +1.10165000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O12-3OOH=>CH2CHO+C2H5COCH3+OH                 +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O12-4OOH=>C5H9O2-1+CH2O+OH                    +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O12-5OOH=>CH3CHO+C4H7O2-1+OH                  +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!DONG 0423!I3C6O12-6OOH=>IC5O34-1J+CH2O+OH                   +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O12-6OOH=>C3H6+C2H3O1-2+CH2O+OH               +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

I3C6O13-2OOH=>C2H5COCH3+CH2CHO+OH                 +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O13-4OOH=>CH2CH2COC2H5+CH2O+OH                +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O13-5OOH=>CH2CH2COCH3+CH3CHO+OH               +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O13-6OOH=>AC5H9O-D+CH2O+OH                    +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!DONG 0423
I3C6O16-3OOH=>C2H4+CH2O+CH3COCH2+OH               +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 


I3C6O14-2OOH=>C4H8-1+CH2OCHO+OH                   +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O14-3OOH=>CH2CH2COC2H5+CH2O+OH                +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O14-5OOH=>C4H7O1-4+CH3CHO+OH                  +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O14-6OOH=>C4H71-4+2CH2O+OH                    +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O15-2OOH=>SC4H8CHO-3+CH2O+OH                  +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O15-3OOH=>CH2CH2COCH3+CH3CHO+OH               +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

!DONG 0423!I3C6O15-4OOH=>C5H9O2-5+CH2O+OH                    +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O15-4OOH=>C5H92-5O+CH2O+OH                    +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 

I3C6O15-6OOH=>C4H8CHO4-2+CH2O+OH                  +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O16-2OOH=>C4H8CHO4-2+CH2O+OH                  +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O16-4OOH=>C5H9O15-3+CH2O+OH                   +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O23-1OOH=>SC4H8CHO-2+CH2O+OH                  +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O23-4OOH=>CH3CHCOC2H5+CH2O+OH                 +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O23-5OOH=>CH3CHCOCH3+CH3CHO+OH                +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O23-6OOH=>AC5H9O-C+CH2O+OH                    +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O24-1OOH=>SC4H8CHO-1+CH2O+OH                  +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O24-3OOH=>CH3CHO+C2H5COCH2+OH                 +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O24-5OOH=>C4H7O2-1+CH3CHO+OH                  +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O24-6OOH=>C4H71-3+2CH2O+OH                    +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O25-1OOH=>SC4H8CHO-3+CH2O+OH                  +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O25-3OOH=>CH3CHCOCH3+CH3CHO+OH                +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O25-4OOH=>C5H9O2-4+CH2O+OH                    +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O34-1OOH=>AC5H9O-A2+CH2O+OH                   +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O34-2OOH=>CH3CHO+C2H5COCH2+OH                 +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O1-2+OH=>SC3H5CHO+C2H5+H2O                    +5.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O1-2+OH=>SC4H9+CH2CO+H2O                      +5.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O1-3+OH=>AC5H10+HCO+H2O                       +5.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O1-4+OH=>CH2CHO+C4H8-1+H2O                    +5.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O1-4+OH=>C2H4+C3H6CHO-1+H2O                   +5.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O1-5+OH=>CH2CHO+C4H8-2+H2O                    +5.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O1-5+OH=>CH3CHCOCH3+C2H4+H2O                  +5.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O1-6+OH=>C2H4+C3H6CHO-2+H2O                   +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O2-3+OH=>IC3H5COCH3+CH3+H2O                   +5.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O2-4+OH=>CH3CO+C4H8-1+H2O                     +5.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O2-4+OH=>SC3H5CHO+C2H5+H2O                    +5.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O2-5+OH=>CH3CO+C4H8-2+H2O                     +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O1-2+HO2=>SC3H5CHO+C2H5+H2O2                  +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O1-2+HO2=>SC4H9+CH2CO+H2O2                    +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O1-3+HO2=>AC5H10+HCO+H2O2                     +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O1-4+HO2=>CH2CHO+C4H8-1+H2O2                  +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O1-4+HO2=>C2H4+C3H6CHO-1+H2O2                 +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O1-5+HO2=>CH2CHO+C4H8-2+H2O2                  +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O1-5+HO2=>CH3CHCOCH3+C2H4+H2O2                +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O1-6+HO2=>C2H4+C3H6CHO-2+H2O2                 +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O2-3+HO2=>IC3H5COCH3+CH3+H2O2                 +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O2-4+HO2=>CH3CO+C4H8-1+H2O2                   +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O2-4+HO2=>SC3H5CHO+C2H5+H2O2                  +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
I3C6O2-5+HO2=>CH3CO+C4H8-2+H2O2                   +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6+CH2CHO=DC5H9O-A                              +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH2O+C4H71-4=C5H9O15-3                            +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
SC4H9CHO+O2=SC4H9CO+HO2                           +1.20000000E+005 +2.50000000E+000 +3.75600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
SC4H9CHO+OH=SC4H9CO+H2O                           +2.00000000E+006 +1.80000000E+000 -1.30000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
SC4H9CHO+H=SC4H9CO+H2                             +4.14000000E+009 +1.12000000E+000 +2.32000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
SC4H9CHO+O=SC4H9CO+OH                             +5.94000000E+012 +0.00000000E+000 +1.86800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
SC4H9CHO+HO2=SC4H9CO+H2O2                         +4.09000000E+004 +2.50000000E+000 +1.02000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
SC4H9CHO+CH3=SC4H9CO+CH4                          +2.89000000E-003 +4.62000000E+000 +3.21000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
SC4H9CHO+CH3O=SC4H9CO+CH3OH                       +1.00000000E+012 +0.00000000E+000 +3.30000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
SC4H9CHO+CH3O2=SC4H9CO+CH3O2H                     +4.09000000E+004 +2.50000000E+000 +1.02000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
SC4H9CHO+OH=SC4H8CHO-1+H2O                        +5.28000000E+009 +9.70000000E-001 +1.58600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
SC4H9CHO+OH=SC4H8CHO-2+H2O                        +5.52000000E+002 +3.12000000E+000 -1.17600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
SC4H9CHO+OH=SC4H8CHO-3+H2O                        +4.68000000E+007 +1.61000000E+000 -3.50000000E+001 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
SC4H9CHO+OH=C4H8CHO4-2+H2O                        +5.28000000E+009 +9.70000000E-001 +1.58600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
SC4H9CHO+HO2=SC4H8CHO-1+H2O2                      +2.37900000E+004 +2.55000000E+000 +1.64900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
SC4H9CHO+HO2=SC4H8CHO-2+H2O2                      +3.44000000E+012 +5.00000000E-002 +1.78800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
SC4H9CHO+HO2=SC4H8CHO-3+H2O2                      +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
SC4H9CHO+HO2=C4H8CHO4-2+H2O2                      +2.37900000E+004 +2.55000000E+000 +1.64900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
SC4H9CHO+CH3O2=SC4H8CHO-1+CH3O2H                  +2.37900000E+004 +2.55000000E+000 +1.64900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
SC4H9CHO+CH3O2=SC4H8CHO-2+CH3O2H                  +3.44000000E+012 +5.00000000E-002 +1.78800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
SC4H9CHO+CH3O2=SC4H8CHO-3+CH3O2H                  +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
SC4H9CHO+CH3O2=C4H8CHO4-2+CH3O2H                  +2.37900000E+004 +2.55000000E+000 +1.64900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
SC4H9+HCO=SC4H9CHO                                +1.81000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
SC4H9CO=SC4H9+CO                                  +1.00000000E+011 +0.00000000E+000 +9.60000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H3CHO+C2H5=SC4H8CHO-1                           +1.00000000E+011 +0.00000000E+000 +6.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
HCO+C4H8-1=SC4H8CHO-1                             +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH3+IC3H5CHO=SC4H8CHO-2                           +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
HCO+C4H8-2=SC4H8CHO-3                             +1.00000000E+011 +0.00000000E+000 +6.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
SC3H5CHO+CH3=SC4H8CHO-3                           +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H5COC2H5+CH3O2=CH2CH2COC2H5+CH3O2H              +2.37900000E+004 +2.55000000E+000 +1.64900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C2H5COC2H5+CH3O2=CH3CHCOC2H5+CH3O2H               +3.44000000E+012 +5.00000000E-002 +1.78800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
B13DE2M+O=B13DE2MJ+OH                             +1.05000000E+012 +7.00000000E-001 +5.88400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-1+H=NEC6                                     +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-3+H=NEC6                                     +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-4+H=NEC6                                     +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
BC5H11+CH3=NEC6                                   +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TC4H9+C2H5=NEC6                                   +8.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEOC5H11+CH3=NEC6                                 +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+H=NEC6-1+H2                                  +5.23500000E+005 +2.69000000E+000 +6.45000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+H=NEC6-3+H2                                  +1.30000000E+006 +2.40000000E+000 +4.47100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+H=NEC6-4+H2                                  +1.74500000E+005 +2.69000000E+000 +6.45000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+O=NEC6-1+OH                                  +1.69500000E+014 +0.00000000E+000 +7.85000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+O=NEC6-3+OH                                  +2.81000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+O=NEC6-4+OH                                  +5.65000000E+013 +0.00000000E+000 +7.85000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+OH=NEC6-1+H2O                                +4.92000000E+007 +1.76000000E+000 +7.43000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+OH=NEC6-3+H2O                                +5.72000000E+006 +1.81100000E+000 -1.01550000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+OH=NEC6-4+H2O                                +1.36500000E+007 +1.81300000E+000 +8.68400000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+CH3=NEC6-1+CH4                               +1.35600000E+000 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+CH3=NEC6-3+CH4                               +1.51000000E+000 +3.46000000E+000 +5.48100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+CH3=NEC6-4+CH4                               +4.52000000E-001 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+HO2=NEC6-1+H2O2                              +3.12000000E+001 +3.59000000E+000 +1.56000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+HO2=NEC6-3+H2O2                              +6.30000000E+001 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+HO2=NEC6-4+H2O2                              +1.04000000E+001 +3.59000000E+000 +1.56000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+CH3O2=NEC6-1+CH3O2H                          +2.08500000E+000 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+CH3O2=NEC6-3+CH3O2H                          +1.02000000E+001 +3.58000000E+000 +1.48100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+CH3O2=NEC6-4+CH3O2H                          +6.95000000E-001 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+CH3O=NEC6-1+CH3OH                            +6.51000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+CH3O=NEC6-3+CH3OH                            +1.45000000E+011 +0.00000000E+000 +4.57100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+CH3O=NEC6-4+CH3OH                            +2.17000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+O2=NEC6-1+HO2                                +6.30000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+O2=NEC6-3+HO2                                +1.40000000E+013 +0.00000000E+000 +5.01600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+O2=NEC6-4+HO2                                +2.10000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+C2H5=NEC6-1+C2H6                             +1.50000000E+011 +0.00000000E+000 +1.34000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+C2H5=NEC6-3+C2H6                             +5.00000000E+010 +0.00000000E+000 +1.04000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+C2H5=NEC6-4+C2H6                             +5.00000000E+010 +0.00000000E+000 +1.34000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+C2H3=NEC6-1+C2H4                             +1.50000000E+012 +0.00000000E+000 +1.80000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+C2H3=NEC6-3+C2H4                             +4.00000000E+011 +0.00000000E+000 +1.68000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+C2H3=NEC6-4+C2H4                             +5.00000000E+011 +0.00000000E+000 +1.80000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+O2CHO=NEC6-1+HO2CHO                          +2.08500000E+000 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+O2CHO=NEC6-3+HO2CHO                          +1.02000000E+001 +3.58000000E+000 +1.48100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6+O2CHO=NEC6-4+HO2CHO                          +6.95000000E-001 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-1=IC4H8+C2H5                                 +1.92600000E+017 -1.25000000E+000 +2.95063000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-1=AC5H10+CH3                                 +1.75000000E+015 -3.10000000E-001 +3.16195000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-3=BC5H10+CH3                                 +1.89600000E+016 -5.60000000E-001 +3.27235000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-4=TC4H9+C2H4                                 +1.10000000E+020 -1.87000000E+000 +2.54287000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-3+O2=NEC6D3+HO2                              +2.64500000E+001 +3.23000000E+000 +1.05918000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-4+O2=NEC6D3+HO2                              +8.04700000E+000 +3.32000000E+000 +1.28572000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6D3+OH=NEC6D3-1+H2O                            +4.92000000E+007 +1.76000000E+000 +7.43000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6D3+O=NEC6D3-1+OH                              +1.69500000E+014 +0.00000000E+000 +7.85000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6D3+H=NEC6D3-1+H2                              +5.23500000E+005 +2.69000000E+000 +6.45000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6D3+CH3=NEC6D3-1+CH4                           +1.35600000E+000 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6D3+HO2=NEC6D3-1+H2O2                          +6.12000000E+001 +3.59000000E+000 +1.71600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6D3+CH3O=NEC6D3-1+CH3OH                        +6.51000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6D3+CH3O2=NEC6D3-1+CH3O2H                      +2.08500000E+000 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6D3+O2=NEC6D3-1+HO2                            +6.30000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6D3+O2CHO=NEC6D3-1+HO2CHO                      +2.08500000E+000 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-3=NEC6D3+H                                   +2.00000000E+013 +0.00000000E+000 +4.04000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-4=NEC6D3+H                                   +1.29000000E+013 +0.00000000E+000 +3.86000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6D3+OH=CH3+TC4H9CHO                            +2.00000000E+010 +0.00000000E+000 +4.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6D3+OH=NEOC5H11+CH2O                           +2.00000000E+010 +0.00000000E+000 +4.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6D3+OH=NEC6OH3-4J                              +1.00000000E+012 +0.00000000E+000 -1.04200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6D3+OH=NEC6OH4-3J                              +1.00000000E+012 +0.00000000E+000 -1.04200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OH3-4J+O2=NEC6OH3-4O2                         +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OH4-3J+O2=NEC6OH4-3O2                         +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OH3-4O2=>TC4H9CHO+CH2O+OH                     +2.50000000E+010 +0.00000000E+000 +1.88600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OH4-3O2=>TC4H9CHO+CH2O+OH                     +2.50000000E+010 +0.00000000E+000 +1.88600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6D3-1=CH3+B13DE2M                              +4.79200000E+017 -1.23000000E+000 +2.96400000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6D3-1=C2H3+IC4H8                               +2.50000000E+013 +0.00000000E+000 +4.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6D3=CC5H9-B+CH3                                +1.00000000E+016 +0.00000000E+000 +7.10000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-1+O2=NEC6-1O2                                +6.86300000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-3+O2=NEC6-3O2                                +3.48600000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-4+O2=NEC6-4O2                                +9.75200000E+011 +3.25000000E-001 -4.17300000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-1+HO2=NEC6-1O+OH                             +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-3+HO2=NEC6-3O+OH                             +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-4+HO2=NEC6-4O+OH                             +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-1+CH3O2=NEC6-1O+CH3O                         +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-3+CH3O2=NEC6-3O+CH3O                         +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-4+CH3O2=NEC6-4O+CH3O                         +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-1+NEC6-1O2=NEC6-1O+NEC6-1O                   +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-3+NEC6-1O2=NEC6-3O+NEC6-1O                   +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-4+NEC6-1O2=NEC6-4O+NEC6-1O                   +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-1+NEC6-3O2=NEC6-1O+NEC6-3O                   +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-3+NEC6-3O2=NEC6-3O+NEC6-3O                   +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-4+NEC6-3O2=NEC6-4O+I3C6-3O                   +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-1+NEC6-4O2=NEC6-1O+NEC6-4O                   +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-3+NEC6-4O2=NEC6-3O+NEC6-4O                   +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-4+NEC6-4O2=NEC6-4O+NEC6-4O                   +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-1O2=NEC6OOH1-1A                              +7.13000000E+006 +1.60000000E+000 +2.10000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-1O2=NEC6OOH1-3                               +1.36000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-1O2=NEC6OOH1-4                               +1.23000000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-3O2=NEC6OOH3-1                               +4.32000000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-3O2=NEC6OOH3-4                               +1.46000000E+009 +1.10000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-4O2=NEC6OOH4-1                               +3.70000000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-4O2=NEC6OOH4-3                               +4.01000000E+008 +1.10000000E+000 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-3O2=NEC6D3+HO2                               +5.40500000E+009 +1.13000000E+000 +3.06000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-4O2=NEC6D3+HO2                               +5.82000000E+007 +1.58000000E+000 +2.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-1O2+HO2=NEC6-1OOH+O2                         +1.75000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-3O2+HO2=NEC6-3OOH+O2                         +1.75000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-4O2+HO2=NEC6-4OOH+O2                         +1.75000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-1O2+H2O2=NEC6-1OOH+HO2                       +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-3O2+H2O2=NEC6-3OOH+HO2                       +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-4O2+H2O2=NEC6-4OOH+HO2                       +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-1O2+NEC6=NEC6-1OOH+NEC6-1                    +1.81400000E+013 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-3O2+NEC6=NEC6-3OOH+NEC6-1                    +1.81400000E+013 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-4O2+NEC6=NEC6-4OOH+NEC6-1                    +1.81400000E+013 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-1O2+NEC6=NEC6-1OOH+NEC6-3                    +4.03200000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-3O2+NEC6=NEC6-3OOH+NEC6-3                    +4.03200000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-4O2+NEC6=NEC6-4OOH+NEC6-3                    +4.03200000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-1O2+NEC6=NEC6-1OOH+NEC6-4                    +6.04800000E+012 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-3O2+NEC6=NEC6-3OOH+NEC6-4                    +6.04800000E+012 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-4O2+NEC6=NEC6-4OOH+NEC6-4                    +6.04800000E+012 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-1O2+CH3O2=>NEC6-1O+CH3O+O2                   +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-3O2+CH3O2=>NEC6-3O+CH3O+O2                   +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-4O2+CH3O2=>NEC6-4O+CH3O+O2                   +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-1O2+NEC6-1O2=>NEC6-1O+NEC6-1O+O2             +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-3O2+NEC6-1O2=>NEC6-3O+NEC6-1O+O2             +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-4O2+NEC6-1O2=>NEC6-4O+NEC6-1O+O2             +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-3O2+NEC6-3O2=>NEC6-3O+NEC6-3O+O2             +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-4O2+NEC6-3O2=>NEC6-4O+NEC6-3O+O2             +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-4O2+NEC6-4O2=>NEC6-4O+NEC6-4O+O2             +1.40000000E+016 -1.61000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-1OOH=NEC6-1O+OH                              +1.50000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-3OOH=NEC6-3O+OH                              +1.05000000E+016 +0.00000000E+000 +4.12000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-4OOH=NEC6-4O+OH                              +1.50000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-1O=CH2O+BC5H11                               +5.50000000E+013 -2.10000000E-001 +1.80000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-3O=TC4H9CHO+CH3                              +1.28000000E+022 -2.58000000E+000 +2.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-3O=TC4H9+CH3CHO                              +7.27000000E+018 -1.46000000E+000 +1.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6-4O=NEOC5H11+CH2O                             +1.83000000E+017 -1.28000000E+000 +2.09000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH1-1A=NEC6O1-1A+OH                          +9.51000000E+011 +0.00000000E+000 +1.61257000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH1-3=NEC6O1-3+OH                            +9.51000000E+011 +0.00000000E+000 +1.54036000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH1-4=NEC6O1-4+OH                            +8.31000000E+010 +0.00000000E+000 +8.76000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH3-1=NEC6O1-3+OH                            +9.51000000E+011 +0.00000000E+000 +1.61181000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH3-4=NEC6O3-4+OH                            +3.55000000E+012 +0.00000000E+000 +1.04357000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH4-1=NEC6O1-4+OH                            +8.31000000E+010 +0.00000000E+000 +8.76000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH4-3=NEC6O3-4+OH                            +3.55000000E+012 +0.00000000E+000 +8.77780000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH3-4=NEC6D3+HO2                             +1.78000000E+012 +2.40000000E-001 +1.57000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH4-3=NEC6D3+HO2                             +6.24000000E+010 +7.20000000E-001 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH1-1A=>AC5H10+CH2O+OH                       +3.08100000E+013 +0.00000000E+000 +2.53378000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH1-3=>BC5H10+CH2O+OH                        +3.08100000E+013 +0.00000000E+000 +2.55551000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH3-1=>IC4H8+CH3CHO+OH                       +3.08100000E+013 +0.00000000E+000 +2.28794000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH1-4=IC4H8O2H-T+C2H4                        +1.39200000E+014 +0.00000000E+000 +2.42301000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH4-1=IC4H8+C2H4O2H                          +1.39200000E+014 +0.00000000E+000 +2.45279000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH1-1A+O2=NEC6OOH1-1AO2                      +3.43000000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH1-3+O2=NEC6OOH1-3O2                        +1.74000000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH1-4+O2=NEC6OOH1-4O2                        +3.43000000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH3-1+O2=NEC6OOH3-1O2                        +3.43000000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH3-4+O2=NEC6OOH3-4O2                        +3.43000000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH4-1+O2=NEC6OOH4-1O2                        +3.43000000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH4-3+O2=NEC6OOH4-3O2                        +1.74000000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH1-1AO2=NEC6KET1-1A+OH                      +5.19000000E+004 +1.90000000E+000 +1.88000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH1-3O2=NEC6KET1-3+OH                        +1.10000000E+004 +2.40000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH1-4O2=NEC6KET1-4+OH                        +4.77000000E+003 +1.70000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH3-1O2=NEC6KET3-1+OH                        +5.79000000E+001 +2.90000000E+000 +1.70000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH3-4O2=NEC6KET3-4+OH                        +2.76000000E+008 +1.20000000E+000 +2.57000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH4-1O2=NEC6KET4-1+OH                        +4.77000000E+003 +1.70000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH4-3O2=NEC6KET4-3+OH                        +2.44000000E+007 +1.60000000E+000 +2.79000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH1-3O2=NEC6D3-1OOH+HO2                      +5.40500000E+009 +1.13000000E+000 +3.06000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH1-4O2=NEC6D3-1OOH+HO2                      +5.82000000E+007 +1.58000000E+000 +2.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH1-1AO2=NEC6Q11A-1B                         +3.57000000E+006 +1.60000000E+000 +2.10000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH1-1AO2=NEC6Q11A-3                          +1.36000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH1-1AO2=NEC6Q11A-4                          +1.23000000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH1-3O2=NEC6Q13-1A                           +2.88000000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH1-3O2=NEC6Q13-4                            +1.46000000E+009 +1.10000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH1-4O2=NEC6Q14-1A                           +2.47000000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH1-4O2=NEC6Q14-3                            +4.01000000E+008 +1.10000000E+000 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH3-1O2=NEC6Q13-1A                           +7.13000000E+006 +1.60000000E+000 +2.10000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH3-1O2=NEC6Q13-4                            +1.23000000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH3-4O2=NEC6Q34-1                            +3.70000000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH4-1O2=NEC6Q14-1A                           +7.13000000E+006 +1.60000000E+000 +2.10000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH4-1O2=NEC6Q14-3                            +1.36000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6OOH4-3O2=NEC6Q34-1                            +4.32000000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6Q11A-1B=>C5H9A-AOOH+CH2O+OH                   +6.16200000E+013 +0.00000000E+000 +2.70976000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6Q11A-3=>C5H9B-AOOH+CH2O+OH                    +6.16200000E+013 +0.00000000E+000 +2.73149000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6Q13-1A=>C5H9A-COOH+CH2O+OH                    +3.08100000E+013 +0.00000000E+000 +2.71771000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6Q13-1A=>IC4H7OOH+CH3CHO+OH                    +3.08100000E+013 +0.00000000E+000 +2.46393000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6Q14-1A=>C5H9A-DOOH+CH2O+OH                    +3.08100000E+013 +0.00000000E+000 +2.53378000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6Q34-1=>IC4H8+HO2CH2CHO+OH                     +3.08100000E+013 +0.00000000E+000 +2.47960000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6Q11A-4=IIC4H7Q2-T+C2H4                        +1.39200000E+014 +0.00000000E+000 +1.96541000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6Q14-1A=IC4H7OOH+C2H4O2H                       +1.39200000E+014 +0.00000000E+000 +2.76159000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6KET1-1A=NEC6KET1-1AO+OH                       +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6KET1-3=NEC6KET1-3O+OH                         +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6KET1-4=NEC6KET1-4O+OH                         +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6KET3-1=NEC6KET3-1O+OH                         +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6KET3-4=NEC6KET3-4O+OH                         +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6KET4-1=NEC6KET4-1O+OH                         +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6KET4-3=NEC6KET4-3O+OH                         +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6KET1-1AO=SC4H8CHO-2+CH2O                      +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6KET1-3O=IC3H6CHO+CH3CHO                       +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6KET1-4O=TC4H8CHO+CH2O                         +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6KET3-1O=IC5Y3-2J+CH2O                         +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6KET3-4O=TC4H9CO+CH2O                          +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6KET4-1O=>IC4H8+CH2O+HCO                       +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6KET4-3O=TC4H9CHO+HCO                          +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6Q13-4=NEC6D3-1OOH+HO2                         +1.78000000E+012 +2.40000000E-001 +1.57000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6Q14-3=NEC6D3-1OOH+HO2                         +6.24000000E+010 +7.20000000E-001 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6D3-1OOH=>CC5H9-B+CH2O+OH                      +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6Q11A-1B=NEC6O11A-1BOOH+OH                     +1.26800000E+012 +0.00000000E+000 +1.61257000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6Q11A-3=NEC6O13-1AOOH+OH                       +1.90200000E+012 +0.00000000E+000 +1.60117000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6Q11A-4=NEC6O14-1AOOH+OH                       +1.10800000E+011 +0.00000000E+000 +8.76000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6Q13-1A=NEC6O11A-3OOH+OH                       +9.51000000E+011 +0.00000000E+000 +1.61257000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6Q13-1A=NEC6O13-1AOOH+OH                       +9.51000000E+011 +0.00000000E+000 +1.67261000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6Q13-4=NEC6O34-1OOH+OH                         +3.55000000E+012 +0.00000000E+000 +1.04357000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6Q13-4=NEC6O14-3OOH+OH                         +8.31000000E+010 +0.00000000E+000 +8.81700000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6Q14-1A=NEC6O11A-4OOH+OH                       +9.51000000E+011 +0.00000000E+000 +1.61257000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6Q14-1A=NEC6O14-1AOOH+OH                       +8.31000000E+010 +0.00000000E+000 +8.76000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6Q14-3=NEC6O13-4OOH+OH                         +9.51000000E+011 +0.00000000E+000 +1.57228000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6Q14-3=NEC6O34-1OOH+OH                         +3.55000000E+012 +0.00000000E+000 +8.77780000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6Q34-1=NEC6O13-4OOH+OH                         +9.51000000E+011 +0.00000000E+000 +1.67261000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6Q34-1=NEC6O14-3OOH+OH                         +8.31000000E+010 +0.00000000E+000 +8.76000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6O11A-1BOOH=>AC5H9O-A2+CH2O+OH                 +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6O11A-3OOH=>IC4H7O+CH3CHO+OH                   +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6O11A-4OOH=>IC4H7+2CH2O+OH                     +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6O13-1AOOH=>AC5H9O-C+CH2O+OH                   +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6O13-4OOH=>TC4H8CHO+CH2O+OH                    +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6O14-1AOOH=>AC5H9O-D+CH2O+OH                   +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6O14-3OOH=>TC4H8CHO+CH2O+OH                    +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6O34-1OOH=>B2E3M1OJ+CH2O+OH                    +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6O1-1A+OH=>AC5H10+HCO+H2O                      +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6O1-1A+OH=>SC3H5CHO+C2H5+H2O                   +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6O1-3+OH=>AC5H10+HCO+H2O                       +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6O1-3+OH=>IC4H8+CH3CO+H2O                      +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6O1-4+OH=>IC3H6CHO+C2H4+H2O                    +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6O1-4+OH=>IC4H8+CH2CHO+H2O                     +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6O3-4+OH=>IC5D2Y4+CH3+H2O                      +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6O3-4+OH=>TC4H9+CH2CO+H2O                      +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6O1-1A+HO2=>AC5H10+HCO+H2O2                    +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6O1-1A+HO2=>SC3H5CHO+C2H5+H2O2                 +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6O1-3+HO2=>AC5H10+HCO+H2O2                     +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6O1-3+HO2=>IC4H8+CH3CO+H2O2                    +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6O1-4+HO2=>IC3H6CHO+C2H4+H2O2                  +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6O1-4+HO2=>IC4H8+CH2CHO+H2O2                   +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6O3-4+HO2=>IC5D2Y4+CH3+H2O2                    +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NEC6O3-4+HO2=>TC4H9+CH2CO+H2O2                    +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H7+CH2O=AC5H9O-D                               +6.88000000E+014 -8.90000000E-001 +7.26000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TC4H9CHO+O2=TC4H9CO+HO2                           +1.20000000E+005 +2.50000000E+000 +3.75600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TC4H9CHO+OH=TC4H9CO+H2O                           +2.00000000E+006 +1.80000000E+000 -1.30000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TC4H9CHO+H=TC4H9CO+H2                             +4.14000000E+009 +1.12000000E+000 +2.32000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TC4H9CHO+O=TC4H9CO+OH                             +5.94000000E+012 +0.00000000E+000 +1.86800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TC4H9CHO+HO2=TC4H9CO+H2O2                         +4.09000000E+004 +2.50000000E+000 +1.02000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TC4H9CHO+CH3=TC4H9CO+CH4                          +2.89000000E-003 +4.62000000E+000 +3.21000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TC4H9CHO+CH3O=TC4H9CO+CH3OH                       +1.00000000E+012 +0.00000000E+000 +3.30000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TC4H9CHO+CH3O2=TC4H9CO+CH3O2H                     +4.09000000E+004 +2.50000000E+000 +1.02000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TC4H9CHO+OH=TC4H8CHO+H2O                          +1.58400000E+010 +9.70000000E-001 +1.58600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TC4H9CHO+HO2=TC4H8CHO+H2O2                        +7.13700000E+004 +2.55000000E+000 +1.64900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TC4H9CHO+CH3O2=TC4H8CHO+CH3O2H                    +7.13700000E+004 +2.55000000E+000 +1.64900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
TC4H9CO=TC4H9+CO                                  +1.00000000E+011 +0.00000000E+000 +9.60000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-1A+O2=XC6D1-1AOOH+HO2                     +4.02500000E+000 +3.32000000E+000 +4.47000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-2+O2=XC6D1-1AOOH+HO2                      +2.65000000E+001 +3.23000000E+000 +5.33000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-2+O2=XC6D2-1OOH+HO2                       +4.02500000E+000 +3.32000000E+000 +4.47000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-3+O2=XC6D1-4OOH+HO2                       +5.30000000E+001 +3.23000000E+000 +5.33000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-3+O2=XC6D2-1OOH+HO2                       +4.02500000E+000 +3.32000000E+000 +4.47000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-4+O2=XC6D1-4OOH+HO2                       +4.02500000E+000 +3.32000000E+000 +4.47000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH2-3+O2=XC6D1-3OOH+HO2                       +5.30000000E+001 +3.23000000E+000 +5.33000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH2-4+O2=XC6D1-3OOH+HO2                       +4.02500000E+000 +3.32000000E+000 +4.47000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-1+H=XC6                                       +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-2+H=XC6                                       +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CC5H11+CH3=XC6                                    +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC3H7+IC3H7=XC6                                   +8.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6+H=XC6-1+H2                                    +6.98000000E+005 +2.69000000E+000 +6.45000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6+H=XC6-2+H2                                    +1.20400000E+006 +2.40000000E+000 +2.58300000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6+O=XC6-1+OH                                    +2.26000000E+014 +0.00000000E+000 +7.85000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6+O=XC6-2+OH                                    +7.94000000E+005 +2.40100000E+000 +1.15000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6+OH=XC6-1+H2O                                  +6.69400000E+006 +2.07800000E+000 +3.75600000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6+OH=XC6-2+H2O                                  +14.0000000E+010 +5.76000000E-001 -6.96000000E+001 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6+CH3=XC6-1+CH4                                 +1.80800000E+000 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6+CH3=XC6-2+CH4                                 +1.20200000E-009 +6.36000000E+000 +8.93000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6+HO2=XC6-1+H2O2                                +4.16000000E+001 +3.59000000E+000 +1.56000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6+HO2=XC6-2+H2O2                                +1.30000000E+003 +3.01000000E+000 +1.20900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6+CH3O2=XC6-1+CH3O2H                            +4.16000000E+001 +3.59000000E+000 +1.76000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6+CH3O2=XC6-2+CH3O2H                            +1.30000000E+003 +3.01000000E+000 +1.41000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6+CH3O=XC6-1+CH3OH                              +8.68000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6+CH3O=XC6-2+CH3OH                              +3.80000000E+010 +0.00000000E+000 +2.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6+O2=XC6-1+HO2                                  +8.40000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6+O2=XC6-2+HO2                                  +1.40000000E+013 +0.00000000E+000 +4.80000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6+C2H5=XC6-1+C2H6                               +2.00000000E+011 +0.00000000E+000 +1.34000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6+C2H5=XC6-2+C2H6                               +2.00000000E+011 +0.00000000E+000 +7.90000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6+C2H3=XC6-1+C2H4                               +2.00000000E+012 +0.00000000E+000 +1.80000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6+C2H3=XC6-2+C2H4                               +4.00000000E+011 +0.00000000E+000 +1.43000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6+O2CHO=XC6-1+HO2CHO                            +2.78000000E+000 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6+O2CHO=XC6-2+HO2CHO                            +5.24000000E+002 +3.12000000E+000 +1.11000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-1=CC5H10+CH3                                  +2.88700000E+012 +5.10000000E-001 +2.98264000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-2=BC5H10+CH3                                  +1.59000000E+013 +3.50000000E-001 +3.06492000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-1+O2=XC6D1+HO2                                +4.02400000E+000 +3.32000000E+000 +1.08570000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-2+O2=XC6D1+HO2                                +5.28900000E+001 +3.23000000E+000 +1.05918000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-2+O2=XC6D2+HO2                                +4.02400000E+000 +3.32000000E+000 +1.08570000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1+OH=XC6D1-1A+H2O                             +3.12000000E+006 +2.00000000E+000 -2.98000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1+OH=XC6D1-3+H2O                              +6.14000000E+002 +3.20000000E+000 -3.50000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1+OH=XC6D1-4+H2O                              +3.34700000E+006 +2.07800000E+000 +3.75600000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D2+OH=XC6D1-3+H2O                              +1.24800000E+007 +2.00000000E+000 -2.98000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1+H=XC6D1-1A+H2                               +1.73000000E+005 +2.50000000E+000 +2.49200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1+H=XC6D1-3+H2                                +2.65000000E+006 +2.20000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1+H=XC6D1-4+H2                                +3.49000000E+005 +2.69000000E+000 +6.45000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D2+H=XC6D1-3+H2                                +6.92000000E+005 +2.50000000E+000 +2.49200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1+CH3=XC6D1-1A+CH4                            +2.21000000E+000 +3.50000000E+000 +5.67500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1+CH3=XC6D1-3+CH4                             +4.61000000E+000 +3.10000000E+000 +2.33000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1+CH3=XC6D1-4+CH4                             +9.04000000E-001 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D2+CH3=XC6D1-3+CH4                             +8.84000000E+000 +3.50000000E+000 +5.67500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1+HO2=XC6D1-1A+H2O2                           +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1+HO2=XC6D1-3+H2O2                            +1.81000000E+003 +2.50000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1+HO2=XC6D1-4+H2O2                            +4.08000000E+001 +3.59000000E+000 +1.71600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D2+HO2=XC6D1-3+H2O2                            +3.85600000E+004 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1+CH3O=XC6D1-1A+CH3OH                         +9.00000000E+001 +2.95000000E+000 +1.19900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1+CH3O=XC6D1-3+CH3OH                          +1.00000000E+001 +2.85000000E+000 +5.23100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1+CH3O=XC6D1-4+CH3OH                          +4.34000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D2+CH3O=XC6D1-3+CH3OH                          +3.60000000E+002 +2.95000000E+000 +1.19900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1+CH3O2=XC6D1-1A+CH3O2H                       +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1+CH3O2=XC6D1-3+CH3O2H                        +1.81000000E+003 +2.50000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1+CH3O2=XC6D1-4+CH3O2H                        +1.39000000E+000 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D2+CH3O2=XC6D1-3+CH3O2H                        +3.85600000E+004 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1+O2=XC6D1-1A+HO2                             +3.30000000E+012 +0.00000000E+000 +3.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1+O2=XC6D1-3+HO2                              +1.10000000E+012 +0.00000000E+000 +3.52200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1+O2=XC6D1-4+HO2                              +4.20000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D2+O2=XC6D1-3+HO2                              +1.32000000E+013 +0.00000000E+000 +3.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1+O=XC6D1-1A+OH                               +4.41000000E+005 +2.42000000E+000 +3.15000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1+O=XC6D1-3+OH                                +3.30000000E+005 +2.43000000E+000 -7.90000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1+O=XC6D1-4+OH                                +1.13000000E+014 +0.00000000E+000 +7.85000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D2+O=XC6D1-3+OH                                +1.76400000E+006 +2.42000000E+000 +3.15000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1+O2CHO=XC6D1-1A+HO2CHO                       +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1+O2CHO=XC6D1-3+HO2CHO                        +1.81000000E+003 +2.50000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1+O2CHO=XC6D1-4+HO2CHO                        +1.39000000E+000 +3.97000000E+000 +1.82800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D2+O2CHO=XC6D1-3+HO2CHO                        +3.85600000E+004 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
B13DE2M+CH3=XC6D1-4                               +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-1=XC6D1+H                                     +1.00000000E+013 +0.00000000E+000 +3.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-2=XC6D1+H                                     +5.00000000E+012 +0.00000000E+000 +4.36000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1+OH=XC6OH1-2J                                +1.00000000E+012 +0.00000000E+000 -1.04200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1+OH=XC6OH2-1J                                +1.00000000E+012 +0.00000000E+000 -1.04200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D2+OH=XC6OH2-3J                                +2.00000000E+012 +0.00000000E+000 -1.04200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OH1-2J+O2=XC6OH1-2O2                           +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OH2-1J+O2=XC6OH2-1O2                           +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OH2-3J+O2=XC6OH2-3O2                           +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OH1-2O2=>IC5Y3+CH2O+OH                         +2.50000000E+010 +0.00000000E+000 +1.88600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OH2-1O2=>IC5Y3+CH2O+OH                         +2.50000000E+010 +0.00000000E+000 +1.88600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OH2-3O2=>CH3COCH3+CH3COCH3+OH                  +2.50000000E+010 +0.00000000E+000 +1.88600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H4-A+IC3H7=XC6D1-1A                             +2.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1-1A+HO2=XC6D1-1AO+OH                         +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.90000000E+020 -2.68000000E+000 +2.29000000E+002 /
PLOG /                           +1.00000000E-001 +4.50000000E+022 -3.18000000E+000 +1.76000000E+003 /
PLOG /                           +1.00000000E+000 +8.61000000E+027 -4.63000000E+000 +6.41500000E+003 /
PLOG /                           +2.00000000E+000 +1.92000000E+030 -5.28000000E+000 +8.57800000E+003 /
PLOG /                           +5.00000000E+000 +5.46000000E+033 -6.22000000E+000 +1.18790000E+004 /
PLOG /                           +1.00000000E+001 +2.98000000E+036 -6.97000000E+000 +1.46000000E+004 /
PLOG /                           +3.00000000E+001 +5.58000000E+040 -8.14000000E+000 +1.90400000E+004 /
PLOG /                           +5.00000000E+001 +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 /
XC6D1-3+HO2=XC6D1-3O+OH                           +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.90000000E+020 -2.68000000E+000 +2.29000000E+002 /
PLOG /                           +1.00000000E-001 +4.50000000E+022 -3.18000000E+000 +1.76000000E+003 /
PLOG /                           +1.00000000E+000 +8.61000000E+027 -4.63000000E+000 +6.41500000E+003 /
PLOG /                           +2.00000000E+000 +1.92000000E+030 -5.28000000E+000 +8.57800000E+003 /
PLOG /                           +5.00000000E+000 +5.46000000E+033 -6.22000000E+000 +1.18790000E+004 /
PLOG /                           +1.00000000E+001 +2.98000000E+036 -6.97000000E+000 +1.46000000E+004 /
PLOG /                           +3.00000000E+001 +5.58000000E+040 -8.14000000E+000 +1.90400000E+004 /
PLOG /                           +5.00000000E+001 +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 /
XC6D1-1A+HO2=XC6D1-1AOOH                          +5.33000000E+019 -2.70000000E+000 -2.43800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.05000000E+001 +1.24000000E+000 -2.25890000E+004 /
PLOG /                           +1.00000000E-001 +3.69000000E+006 +8.00000000E-002 -1.83310000E+004 /
PLOG /                           +1.00000000E+000 +2.02000000E+013 -1.45000000E+000 -1.17090000E+004 /
PLOG /                           +2.00000000E+000 +1.49000000E+015 -1.87000000E+000 -9.60400000E+003 /
PLOG /                           +5.00000000E+000 +1.85000000E+017 -2.31000000E+000 -6.99100000E+003 /
PLOG /                           +1.00000000E+001 +2.88000000E+018 -2.55000000E+000 -5.26000000E+003 /
PLOG /                           +3.00000000E+001 +3.45000000E+019 -2.71000000E+000 -3.14000000E+003 /
PLOG /                           +5.00000000E+001 +5.33000000E+019 -2.70000000E+000 -2.43800000E+003 /
XC6D1-3+HO2=XC6D1-3OOH                            +5.33000000E+019 -2.70000000E+000 -2.43800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.05000000E+001 +1.24000000E+000 -2.25890000E+004 /
PLOG /                           +1.00000000E-001 +3.69000000E+006 +8.00000000E-002 -1.83310000E+004 /
PLOG /                           +1.00000000E+000 +2.02000000E+013 -1.45000000E+000 -1.17090000E+004 /
PLOG /                           +2.00000000E+000 +1.49000000E+015 -1.87000000E+000 -9.60400000E+003 /
PLOG /                           +5.00000000E+000 +1.85000000E+017 -2.31000000E+000 -6.99100000E+003 /
PLOG /                           +1.00000000E+001 +2.88000000E+018 -2.55000000E+000 -5.26000000E+003 /
PLOG /                           +3.00000000E+001 +3.45000000E+019 -2.71000000E+000 -3.14000000E+003 /
PLOG /                           +5.00000000E+001 +5.33000000E+019 -2.70000000E+000 -2.43800000E+003 /
XC6D1-1A+CH3O2=XC6D1-1AO+CH3O                     +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.90000000E+020 -2.68000000E+000 +2.29000000E+002 /
PLOG /                           +1.00000000E-001 +4.50000000E+022 -3.18000000E+000 +1.76000000E+003 /
PLOG /                           +1.00000000E+000 +8.61000000E+027 -4.63000000E+000 +6.41500000E+003 /
PLOG /                           +2.00000000E+000 +1.92000000E+030 -5.28000000E+000 +8.57800000E+003 /
PLOG /                           +5.00000000E+000 +5.46000000E+033 -6.22000000E+000 +1.18790000E+004 /
PLOG /                           +1.00000000E+001 +2.98000000E+036 -6.97000000E+000 +1.46000000E+004 /
PLOG /                           +3.00000000E+001 +5.58000000E+040 -8.14000000E+000 +1.90400000E+004 /
PLOG /                           +5.00000000E+001 +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 /
XC6D1-3+CH3O2=XC6D1-3O+CH3O                       +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.90000000E+020 -2.68000000E+000 +2.29000000E+002 /
PLOG /                           +1.00000000E-001 +4.50000000E+022 -3.18000000E+000 +1.76000000E+003 /
PLOG /                           +1.00000000E+000 +8.61000000E+027 -4.63000000E+000 +6.41500000E+003 /
PLOG /                           +2.00000000E+000 +1.92000000E+030 -5.28000000E+000 +8.57800000E+003 /
PLOG /                           +5.00000000E+000 +5.46000000E+033 -6.22000000E+000 +1.18790000E+004 /
PLOG /                           +1.00000000E+001 +2.98000000E+036 -6.97000000E+000 +1.46000000E+004 /
PLOG /                           +3.00000000E+001 +5.58000000E+040 -8.14000000E+000 +1.90400000E+004 /
PLOG /                           +5.00000000E+001 +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 /
XC6D1-1A+C2H5O2=XC6D1-1AO+C2H5O                   +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.90000000E+020 -2.68000000E+000 +2.29000000E+002 /
PLOG /                           +1.00000000E-001 +4.50000000E+022 -3.18000000E+000 +1.76000000E+003 /
PLOG /                           +1.00000000E+000 +8.61000000E+027 -4.63000000E+000 +6.41500000E+003 /
PLOG /                           +2.00000000E+000 +1.92000000E+030 -5.28000000E+000 +8.57800000E+003 /
PLOG /                           +5.00000000E+000 +5.46000000E+033 -6.22000000E+000 +1.18790000E+004 /
PLOG /                           +1.00000000E+001 +2.98000000E+036 -6.97000000E+000 +1.46000000E+004 /
PLOG /                           +3.00000000E+001 +5.58000000E+040 -8.14000000E+000 +1.90400000E+004 /
PLOG /                           +5.00000000E+001 +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 /
XC6D1-3+C2H5O2=XC6D1-3O+C2H5O                     +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.90000000E+020 -2.68000000E+000 +2.29000000E+002 /
PLOG /                           +1.00000000E-001 +4.50000000E+022 -3.18000000E+000 +1.76000000E+003 /
PLOG /                           +1.00000000E+000 +8.61000000E+027 -4.63000000E+000 +6.41500000E+003 /
PLOG /                           +2.00000000E+000 +1.92000000E+030 -5.28000000E+000 +8.57800000E+003 /
PLOG /                           +5.00000000E+000 +5.46000000E+033 -6.22000000E+000 +1.18790000E+004 /
PLOG /                           +1.00000000E+001 +2.98000000E+036 -6.97000000E+000 +1.46000000E+004 /
PLOG /                           +3.00000000E+001 +5.58000000E+040 -8.14000000E+000 +1.90400000E+004 /
PLOG /                           +5.00000000E+001 +4.44000000E+042 -8.67000000E+000 +2.10710000E+004 /
XC6D1-4+O2=XC6D13+HO2                             +2.14000000E+000 +3.71000000E+000 +7.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1-3+O2=XC6D13+HO2                             +2.14000000E+000 +3.71000000E+000 +9.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D13+OH=XC6D13-1AR+H2O                          +6.24000000E+006 +2.00000000E+000 -2.98000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D13+HO2=XC6D13-1AR+H2O2                        +3.46000000E-001 +4.00000000E+000 +1.21030000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H4-A+C3H5-S=XC6D13-1AR                          +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1-3O=CH3+IC3H5COCH3                           +1.19600000E+016 -1.10000000E+000 +9.94100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1=AC5H9-C+CH3                                 +1.00000000E+016 +0.00000000E+000 +7.10000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-1+O2=XC6-1O2                                  +6.86300000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-2+O2=XC6-2O2                                  +9.75200000E+011 +3.25000000E-001 -4.17300000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-1+HO2=XC6-1O+OH                               +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-2+HO2=XC6-2O+OH                               +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-1+CH3O2=XC6-1O+CH3O                           +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-2+CH3O2=XC6-2O+CH3O                           +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-1+XC6-1O2=XC6-1O+XC6-1O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-2+XC6-1O2=XC6-2O+XC6-1O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-1+XC6-2O2=XC6-1O+XC6-2O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-2+XC6-2O2=XC6-2O+XC6-2O                       +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-1O2=XC6OOH1-1A                                +3.57000000E+006 +1.60000000E+000 +2.10000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-1O2=XC6OOH1-2                                 +2.31000000E+009 +8.00000000E-001 +2.71000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-1O2=XC6OOH1-3                                 +1.23000000E+007 +1.20000000E+000 +1.54000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-1O2=XC6OOH1-4                                 +2.47000000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-2O2=XC6OOH2-1                                 +3.01000000E+009 +1.20000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-2O2=XC6OOH2-3                                 +3.47000000E+010 +4.00000000E-001 +2.64000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-2O2=XC6OOH2-4                                 +3.01000000E+008 +1.10000000E+000 +2.19000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-1O2=XC6D1+HO2                                 +2.52000000E+008 +1.32000000E+000 +2.79000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-2O2=XC6D1+HO2                                 +3.68000000E+010 +8.90000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-2O2=XC6D2+HO2                                 +1.25000000E+013 +2.00000000E-002 +2.97000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-1O2+HO2=XC6-1OOH+O2                           +1.75000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-2O2+HO2=XC6-2OOH+O2                           +1.75000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-1O2+H2O2=XC6-1OOH+HO2                         +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-2O2+H2O2=XC6-2OOH+HO2                         +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-1O2+XC6=XC6-1OOH+XC6-1                        +2.42000000E+013 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-2O2+XC6=XC6-2OOH+XC6-1                        +2.42000000E+013 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-1O2+XC6=XC6-1OOH+XC6-2                        +4.04000000E+012 +0.00000000E+000 +1.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-2O2+XC6=XC6-2OOH+XC6-2                        +4.04000000E+012 +0.00000000E+000 +1.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-1O2+CH3O2=>XC6-1O+CH3O+O2                     +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-2O2+CH3O2=>XC6-2O+CH3O+O2                     +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-1O2+XC6-1O2=>XC6-1O+XC6-1O+O2                 +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-2O2+XC6-1O2=>XC6-2O+XC6-1O+O2                 +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-2O2+XC6-2O2=>XC6-2O+XC6-2O+O2                 +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-1OOH=XC6-1O+OH                                +1.50000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-2OOH=XC6-2O+OH                                +6.00000000E+015 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-1O=CH2O+CC5H11                                +5.50000000E+013 -2.10000000E-001 +1.80000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-2O=CH3COCH3+IC3H7                             +2.46000000E+018 -1.28000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6-2O=CH3+IC5Y3                                  +4.92000000E+018 -1.28000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-1A=XC6O1-1A+OH                            +6.34000000E+011 +0.00000000E+000 +1.61257000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-2=XC6O1-2+OH                              +3.55000000E+012 +0.00000000E+000 +8.39060000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-3=XC6O1-3+OH                              +1.26800000E+012 +0.00000000E+000 +1.47043000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-4=XC6O1-4+OH                              +5.54000000E+010 +0.00000000E+000 +8.76000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH2-1=XC6O1-2+OH                              +7.10000000E+012 +0.00000000E+000 +1.16865000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH2-3=XC6O2-3+OH                              +3.55000000E+012 +0.00000000E+000 +1.06293000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH2-4=XC6O1-3+OH                              +6.34000000E+011 +0.00000000E+000 +1.75318000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-2=XC6D1+HO2                               +8.38000000E+009 +9.20000000E-001 +1.45000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH2-1=XC6D1+HO2                               +3.89000000E+013 -1.50000000E-001 +1.55000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH2-3=XC6D2+HO2                               +3.01000000E+011 +3.50000000E-001 +1.52000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-3=C5H9B-AOOH+CH3                          +7.95000000E+012 +3.50000000E-001 +3.06492000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-1A=>CC5H10+CH2O+OH                        +3.08100000E+013 +0.00000000E+000 +2.55445000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-3=>BC5H10+CH2O+OH                         +3.08100000E+013 +0.00000000E+000 +2.59950000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH2-4=>C3H6+CH3COCH3+OH                       +3.08100000E+013 +0.00000000E+000 +2.36916000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-4=C3H6OOH1-2+C3H6                         +1.39200000E+014 +0.00000000E+000 +2.63847000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-4=C5H9C-AOOH+CH3                          +7.95000000E+012 +3.50000000E-001 +3.06492000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-1A+O2=XC6OOH1-1AO2                        +3.43000000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-2+O2=XC6OOH1-2O2                          +4.88000000E+011 +3.25000000E-001 -4.17300000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-3+O2=XC6OOH1-3O2                          +4.88000000E+011 +3.25000000E-001 -4.17300000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-4+O2=XC6OOH1-4O2                          +3.43000000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH2-1+O2=XC6OOH2-1O2                          +3.43000000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH2-3+O2=XC6OOH2-3O2                          +4.88000000E+011 +3.25000000E-001 -4.17300000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH2-4+O2=XC6OOH2-4O2                          +3.43000000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-1AO2=XC6KET1-1A+OH                        +5.19000000E+004 +1.90000000E+000 +1.88000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-2O2=XC6KET1-2+OH                          +3.66000000E+007 +1.60000000E+000 +2.69000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-3O2=XC6KET1-3+OH                          +1.65000000E+004 +2.40000000E+000 +1.89000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-4O2=XC6KET1-4+OH                          +4.77000000E+003 +1.70000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-1AO2=XC6D1-1AOOH+HO2                      +2.52000000E+008 +1.32000000E+000 +2.79000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-2O2=XC6D1-1AOOH+HO2                       +1.22400000E+010 +8.90000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-2O2=XC6D2-1OOH+HO2                        +1.25000000E+013 +2.00000000E-002 +2.97000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-3O2=XC6D2-1OOH+HO2                        +1.25000000E+013 +2.00000000E-002 +2.97000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-3O2=XC6D1-4OOH+HO2                        +2.44800000E+010 +8.90000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-4O2=XC6D1-4OOH+HO2                        +2.52000000E+008 +1.32000000E+000 +2.79000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH2-3O2=XC6D1-3OOH+HO2                        +2.44800000E+010 +8.90000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH2-4O2=XC6D1-3OOH+HO2                        +2.52000000E+008 +1.32000000E+000 +2.79000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-1AO2=XC6Q11A-2                            +2.31000000E+009 +8.00000000E-001 +2.71000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-1AO2=XC6Q11A-3                            +1.23000000E+007 +1.20000000E+000 +1.54000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-1AO2=XC6Q11A-4                            +2.47000000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-2O2=XC6Q12-1A                             +1.51000000E+009 +1.20000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-2O2=XC6Q12-3                              +1.04000000E+011 +4.00000000E-001 +2.64000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-2O2=XC6Q12-4                              +3.01000000E+008 +1.10000000E+000 +2.19000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-3O2=XC6Q13-1A                             +1.50000000E+008 +1.10000000E+000 +2.19000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-3O2=XC6Q13-2                              +3.47000000E+010 +4.00000000E-001 +2.64000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-3O2=XC6Q13-4                              +3.01000000E+009 +1.20000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH1-4O2=XC6Q14-1A                             +1.23000000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
XC6OOH1-4O2=XC6Q14-1A                             +3.57000000E+006 +1.60000000E+000 +2.10000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
XC6OOH1-4O2=XC6Q14-2                              +1.23000000E+007 +1.20000000E+000 +1.54000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
XC6OOH1-4O2=XC6Q14-2                              +2.31000000E+009 +8.00000000E-001 +2.71000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
XC6OOH2-1O2=XC6Q12-1A                             +3.57000000E+006 +1.60000000E+000 +2.10000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH2-1O2=XC6Q12-3                              +1.23000000E+007 +1.20000000E+000 +1.54000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH2-1O2=XC6Q12-4                              +2.47000000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH2-3O2=XC6Q23-1                              +3.01000000E+008 +1.10000000E+000 +2.19000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
XC6OOH2-3O2=XC6Q23-1                              +3.01000000E+009 +1.20000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
XC6OOH2-4O2=XC6Q13-4                              +2.47000000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH2-4O2=XC6Q13-2                              +2.31000000E+009 +8.00000000E-001 +2.71000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6OOH2-4O2=XC6Q13-1A                             +3.57000000E+006 +1.60000000E+000 +2.10000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q11A-3=>C5H9B-DOOH+CH2O+OH                     +6.16200000E+013 +0.00000000E+000 +2.77548000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q12-4=>C3KET21+C3H6+OH                         +3.08100000E+013 +0.00000000E+000 +2.55998000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q13-1A=>AC3H5OOH+CH3COCH3+OH                   +3.08100000E+013 +0.00000000E+000 +2.48414000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q13-1A=>C5H9C-BOOH+CH2O+OH                     +3.08100000E+013 +0.00000000E+000 +2.69280000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q14-1A=>C5H9C-AOOH+CH2O+OH                     +3.08100000E+013 +0.00000000E+000 +2.55445000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q11A-4=C3H52-1,3OOH+C3H6                       +1.39200000E+014 +0.00000000E+000 +2.49246000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q14-1A=C3H6OOH1-2+AC3H5OOH                     +1.39200000E+014 +0.00000000E+000 +2.84023000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6KET1-1A=>XC6KET1-1AO+OH                        +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6KET1-2=>XC6KET1-2O+OH                          +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6KET1-3=>XC6KET1-3O+OH                          +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6KET1-4=>XC6KET1-4O+OH                          +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6KET1-1AO=>DC5H9O-C+CH2O                        +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6KET1-2O=>IC5Y3+HCO                             +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6KET1-3O=>CH3CHCHO+CH3COCH3                     +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6KET1-4O=>SC4H8CHO-3+CH2O                       +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q11A-2=XC6D1-1AOOH+HO2                         +1.67600000E+010 +9.20000000E-001 +1.45000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q12-1A=XC6D1-1AOOH+HO2                         +1.35000000E+003 +2.67000000E+000 +7.90000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q12-3=XC6D2-1OOH+HO2                           +1.86000000E+002 +2.95000000E+000 +5.40000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q13-2=XC6D1-3OOH+HO2                           +8.38000000E+009 +9.20000000E-001 +1.45000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q13-2=XC6D2-1OOH+HO2                           +1.86000000E+002 +2.95000000E+000 +5.40000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q13-4=XC6D1-4OOH+HO2                           +3.89000000E+013 -1.50000000E-001 +1.55000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q14-2=XC6D1-4OOH+HO2                           +8.38000000E+009 +9.20000000E-001 +1.45000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q23-1=XC6D1-3OOH+HO2                           +3.89000000E+013 -1.50000000E-001 +1.55000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1-1AOOH=>C3H4-A+C2H5+CH2O+OH                  +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1-4OOH=>AC5H9-C+CH2O+OH                       +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1-3OOH=>IC3H5COCH3+CH3+OH                     +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D2-1OOH=>C4H6-2+CH2O2H+CH3                     +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6D1-3OOH=>C3H5-S+CH3COCH3+OH                    +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q11A-2=XC6O12-1AOOH+OH                         +7.10000000E+012 +0.00000000E+000 +8.39060000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q11A-3=XC6O13-1AOOH+OH                         +2.53600000E+012 +0.00000000E+000 +1.47043000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q11A-4=XC6O14-1AOOH+OH                         +1.10800000E+011 +0.00000000E+000 +8.76000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q12-1A=XC6O11A-2OOH+OH                         +6.34000000E+011 +0.00000000E+000 +1.61637000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q12-1A=XC6O12-1AOOH+OH                         +7.10000000E+012 +0.00000000E+000 +1.16865000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q12-3=XC6O13-2OOH+OH                           +1.26800000E+012 +0.00000000E+000 +1.48715000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q12-3=XC6O23-1OOH+OH                           +3.55000000E+012 +0.00000000E+000 +1.06293000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q12-4=XC6O14-2OOH+OH                           +5.54000000E+010 +0.00000000E+000 +8.76000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q12-4=XC6O13-4OOH+OH                           +6.34000000E+011 +0.00000000E+000 +1.75318000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q13-1A=XC6O11A-3OOH+OH                         +6.34000000E+011 +0.00000000E+000 +1.61257000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q13-1A=XC6O13-1AOOH+OH                         +6.34000000E+011 +0.00000000E+000 +1.75318000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q13-2=XC6O12-3OOH+OH                           +3.55000000E+012 +0.00000000E+000 +8.39060000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q13-2=XC6O23-1OOH+OH                           +3.55000000E+012 +0.00000000E+000 +1.06293000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q13-4=XC6O14-2OOH+OH                           +5.54000000E+010 +0.00000000E+000 +8.81700000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q13-4=XC6O12-4OOH+OH                           +7.10000000E+012 +0.00000000E+000 +1.16865000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q14-1A=XC6O11A-4OOH+OH                         +6.34000000E+011 +0.00000000E+000 +1.61257000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q14-1A=XC6O14-1AOOH+OH                         +5.54000000E+010 +0.00000000E+000 +8.76000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q14-2=XC6O12-4OOH+OH                           +3.55000000E+012 +0.00000000E+000 +8.39060000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q14-2=XC6O13-4OOH+OH                           +1.26800000E+012 +0.00000000E+000 +1.48715000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q23-1=XC6O12-3OOH+OH                           +7.10000000E+012 +0.00000000E+000 +1.16865000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6Q23-1=XC6O13-2OOH+OH                           +6.34000000E+011 +0.00000000E+000 +1.75698000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6O11A-2OOH=>IC3H7COCH2+CH2O+OH                  +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6O11A-3OOH=>C3H5O+CH3COCH3+OH                   +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6O11A-4OOH=>C4H71-3+2CH2O+OH                    +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6O12-1AOOH=>IC3H7COCH2+CH2O+OH                  +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6O12-3OOH=>CH3COCH2+CH3COCH3+OH                 +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6O12-4OOH=>B2E2M1OJ+CH2O+OH                     +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6O13-1AOOH=>B2E3M1OJ+CH2O+OH                    +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6O13-2OOH=>CH3CHCOC2H5+CH2O+OH                  +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6O13-2OOH=>CH3COCH2+CH3COCH3+OH                 +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6O13-4OOH=>CH2CH2COC2H5+CH2O+OH                 +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6O14-1AOOH=>CC5H9-AO+CH2O+OH                    +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6O14-2OOH=>CH2CH2COC2H5+CH2O+OH                 +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6O23-1OOH=>CH3CHCOC2H5+CH2O+OH                  +1.00000000E+016 +0.00000000E+000 +4.23000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6O1-1A+OH=>AC5H10+HCO+H2O                       +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6O1-2+OH=>C4H72-2CHO+CH3+H2O                    +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6O1-3+OH=>BC5H10+HCO+H2O                        +2.50000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6O1-4+OH=>CH3CHCHO+C3H6+H2O                     +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6O2-3+OH=>IC3H5COCH3+CH3+H2O                    +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6O1-1A+HO2=>AC5H10+HCO+H2O2                     +1.00000000E+013 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6O1-2+HO2=>C4H72-2CHO+CH3+H2O2                  +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6O1-3+HO2=>BC5H10+HCO+H2O2                      +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6O1-4+HO2=>CH3CHCHO+C3H6+H2O2                   +1.00000000E+013 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
XC6O2-3+HO2=>IC3H5COCH3+CH3+H2O2                  +1.00000000E+013 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5Y3+OH=IC5Y3-1J+H2O                             +5.52000000E+002 +3.12000000E+000 -1.17600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5Y3+OH=IC5Y3-2J+H2O                             +4.68000000E+007 +1.61000000E+000 -3.50000000E+001 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5Y3+OH=IC3H7COCH2+H2O                           +5.28000000E+009 +9.70000000E-001 +1.58600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5Y3+HO2=IC5Y3-1J+H2O2                           +3.44000000E+012 +5.00000000E-002 +1.78800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5Y3+HO2=IC5Y3-2J+H2O2                           +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5Y3+HO2=IC3H7COCH2+H2O2                         +2.37900000E+004 +2.55000000E+000 +1.64900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5Y3+CH3O2=IC5Y3-1J+CH3O2H                       +3.44000000E+012 +5.00000000E-002 +1.78800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5Y3+CH3O2=IC5Y3-2J+CH3O2H                       +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5Y3+CH3O2=IC3H7COCH2+CH3O2H                     +2.37900000E+004 +2.55000000E+000 +1.64900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6+CH3CO=IC5Y3-1J                               +1.00000000E+011 +0.00000000E+000 +6.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC3H7+CH2CO=IC3H7COCH2                            +1.00000000E+011 +0.00000000E+000 +6.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DC5H10O+OH=DC5H9O-C+H2O                           +4.68000000E+007 +1.61000000E+000 -3.50000000E+001 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DC5H10O+OH=DC5H9O-B+H2O                           +5.28000000E+009 +9.70000000E-001 +1.58600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DC5H10O+HO2=DC5H9O-C+H2O2                         +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DC5H10O+HO2=DC5H9O-B+H2O2                         +2.37900000E+004 +2.55000000E+000 +1.64900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DC5H10O+CH3O2=DC5H9O-C+CH3O2H                     +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DC5H10O+CH3O2=DC5H9O-B+CH3O2H                     +2.37900000E+004 +2.55000000E+000 +1.64900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
SC3H5CHO+CH3=DC5H9O-C                             +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H8+HCO=DC5H9O-C                                +1.00000000E+011 +0.00000000E+000 +6.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H6+CH2CHO=DC5H9O-B                              +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DC5H10O+O2=IC4H9CO+HO2                            +1.20000000E+005 +2.50000000E+000 +3.75600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DC5H10O+OH=IC4H9CO+H2O                            +2.00000000E+006 +1.80000000E+000 -1.30000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DC5H10O+H=IC4H9CO+H2                              +4.14000000E+009 +1.12000000E+000 +2.32000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DC5H10O+O=IC4H9CO+OH                              +5.94000000E+012 +0.00000000E+000 +1.86800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DC5H10O+HO2=IC4H9CO+H2O2                          +4.09000000E+004 +2.50000000E+000 +1.02000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DC5H10O+CH3=IC4H9CO+CH4                           +2.89000000E-003 +4.62000000E+000 +3.21000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DC5H10O+CH3O=IC4H9CO+CH3OH                        +1.00000000E+012 +0.00000000E+000 +3.30000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DC5H10O+CH3O2=IC4H9CO+CH3O2H                      +4.09000000E+004 +2.50000000E+000 +1.02000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC4H9CO=IC4H9+CO                                  +1.00000000E+011 +0.00000000E+000 +9.60000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H72-2CHO=HCO+C4H72-2                            +1.00000000E+016 +0.00000000E+000 +8.70000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC3H5COCH3=SC3H5CO+CH3                            +1.00000000E+016 +0.00000000E+000 +7.10000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C6H10-15
!----------------------------------------------------------------------------------------------------------------------------------


!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH:  \IC5D2Y4
!----------------------------------------------------------------------------------------------------------------------------------

!FH_UNIMOLECULAR________________________________________________________________

IC5D2Y4-1J+H=IC5D2Y4                                   1.00E+14    0.000       0 !WAGNON1@LLNL.GOV! ESTIMATE
IC5D2Y4-4J+H=IC5D2Y4                                   1.00E+14    0.000       0 !WAGNON1@LLNL.GOV! ESTIMATE
IC4H7-I1+HCO=IC5D2Y4                                   1.81E+13    0.000       0 !WAGNON1@LLNL.GOV! AS C2H3+HCO=C2H3CHO TSANG J.PHYS.CHEM.REF.DATA 15 (1986) 15

!FH_ABSTRACTION_________________________________________________________________

IC5D2Y4+O2=IC5D2Y4-4J+HO2                              9.00E+13    0.000   45874 !WAGNON1@LLNL.GOV! A=DEG*9E+13, E=DH+2RT, T=1000K
IC5D2Y4+H=IC5D2Y4-4J+H2                                7.15E+05    2.400    1577 !WAGNON1@LLNL.GOV! AS TABLE 7 ALDEHYDES+H MENDES J.PHYS.CHEM.A 118 (2014) 12089-12104
IC5D2Y4+O=IC5D2Y4-4J+OH                                1.44E+07    1.858    3311 !WAGNON1@LLNL.GOV! ESTIMATE
IC5D2Y4+OH=IC5D2Y4-4J+H2O                              3.73E+04    2.600   -2300 !KUKKADAPU1@LLNL.GOV! REVIEW OF ALDEHYDE+OH=RCO+H2O
IC5D2Y4+HO2=IC5D2Y4-4J+H2O2                            1.18E-04    4.900    3684 !WAGNON1@LLNL.GOV! AS TABLE 8 ALDEHYDES+HO2 MENDES J.PHYS.CHEM.A 118 (2014) 12089-12104
IC5D2Y4+CH3=IC5D2Y4-4J+CH4                             2.50E+00    3.600    4329 !WAGNON1@LLNL.GOV! AS TABLE 8 ALDEHYDES+CH3 MENDES J.PHYS.CHEM.A 118 (2014) 12089-12104

IC5D2Y4+O2=IC5D2Y4-1J+HO2                              1.03E+03    3.190   37900 !WAGNON1@LLNL.GOV! AS IC4H8+O2=IC4H7+HO2 TABLE 5 ZHOU J.PHYS.CHEM.A 121 (2017) 1890-1899
IC5D2Y4+H=IC5D2Y4-1J+H2                                3.50E+06    2.310    4300 !WAGNON1@LLNL.GOV! SUP.MAT. CBS-QB3 DEBRUYCKER COMBUST.FLAME 171 (2016) 237-251
IC5D2Y4+O=IC5D2Y4-1J+OH                                2.86E+02    3.374     174 !WAGNON1@LLNL.GOV! A*2(DEG) AS C3H6+O=C3H5-A+OH TABLE S3 CAVALLOTTI J.PHYS.CHEM.LETT. 5 (2014) 4213-4218
IC5D2Y4+OH=IC5D2Y4-1J+H2O                              1.80E+04    2.782    -636 !WAGNON1@LLNL.GOV! PRIVATE COMMUNICATION, CALC BY S.MOHAMED, M.MONGEPALACIOS, M.S.SARATHY
IC5D2Y4+HO2=IC5D2Y4-1J+H2O2                            1.54E-01    4.403   13547 !WAGNON1@LLNL.GOV! A*2(DEG) AS C3H6+HO2=C3H5-A+H2O2 ZADOR JPCA 115 (2011) 10218-10225
IC5D2Y4+CH3=IC5D2Y4-1J+CH4                             3.50E+01    3.370    6500 !WAGNON1@LLNL.GOV! SUP.MAT. CBS-QB3 DEBRUYCKER COMBUST.FLAME 171 (2016) 237-251

!FH_VINYLIC_H-ADDITION__________________________________________________________

IC5D2Y4+H=DC5H9O-B                                     1.00E+00    1.000       1 !WAGNON1@LLNL.GOV! A/2(DEG) AS C4H8-2+H=SC4H9 NUIG MODEL ARAMCO2.0
PLOG /  1.00E-03  4.17E+21   -4.210    -602 / ! FIT FROM 500-2000 K ERROR IN FIT 25%
PLOG /  1.00E-02  3.40E+23   -4.460      82 / ! FIT FROM 500-2000 K ERROR IN FIT 26%
PLOG /  1.00E-01  1.43E+28   -5.470    3003 / ! FIT FROM 500-2000 K ERROR IN FIT 28%
PLOG /  1.00E+00  2.73E+33   -6.610    7559 / ! FIT FROM 500-2000 K ERROR IN FIT 24%
PLOG /  1.00E+01  1.17E+33   -6.110    9893 / ! FIT FROM 500-2000 K ERROR IN FIT 14%
PLOG /  1.00E+02  1.64E+25   -3.510    8145 / ! FIT FROM 500-2000 K ERROR IN FIT 7%

IC5D2Y4+H=DC5H9O-C                                     1.00E+00    1.000       1 !WAGNON1@LLNL.GOV! A/2(DEG) AS C4H8-2+H=SC4H9 NUIG MODEL ARAMCO2.0
PLOG /  1.00E-03  4.17E+21   -4.210    -602 / ! FIT FROM 500-2000 K ERROR IN FIT 25%
PLOG /  1.00E-02  3.40E+23   -4.460      82 / ! FIT FROM 500-2000 K ERROR IN FIT 26%
PLOG /  1.00E-01  1.43E+28   -5.470    3003 / ! FIT FROM 500-2000 K ERROR IN FIT 28%
PLOG /  1.00E+00  2.73E+33   -6.610    7559 / ! FIT FROM 500-2000 K ERROR IN FIT 24%
PLOG /  1.00E+01  1.17E+33   -6.110    9893 / ! FIT FROM 500-2000 K ERROR IN FIT 14%
PLOG /  1.00E+02  1.64E+25   -3.510    8145 / ! FIT FROM 500-2000 K ERROR IN FIT 7%

IC5D2Y4+H=IC4H8+HCO                                    1.00E+00    1.000       1 !WAGNON1@LLNL.GOV! A/2(DEG) AS C4H8-2+H=C3H6+CH3 NUIG ARAMCO2.0
PLOG /  1.00E-03  3.20E+09    1.290    1834 / ! FIT FROM 500-2000 K ERROR IN FIT 0%
PLOG /  1.00E-02  1.30E+10    1.120    2267 / ! FIT FROM 500-2000 K ERROR IN FIT 1%
PLOG /  1.00E-01  1.24E+13    0.290    4456 / ! FIT FROM 500-2000 K ERROR IN FIT 3%
PLOG /  1.00E+00  1.46E+19   -1.390    9365 / ! FIT FROM 500-2000 K ERROR IN FIT 5%
PLOG /  1.00E+01  3.07E+23   -2.530   14463 / ! FIT FROM 500-2000 K ERROR IN FIT 7%
PLOG /  1.00E+02  6.15E+19   -1.350   15762 / ! FIT FROM 500-2000 K ERROR IN FIT 19%

IC5D2Y4+H=SC3H5CHO+CH3                                 1.00E+00    1.000       1 !WAGNON1@LLNL.GOV! A/2(DEG) AS C4H8-2+H=C3H6+CH3 NUIG ARAMCO2.0
PLOG /  1.00E-03  3.20E+09    1.290    1834 / ! FIT FROM 500-2000 K ERROR IN FIT 0%
PLOG /  1.00E-02  1.30E+10    1.120    2267 / ! FIT FROM 500-2000 K ERROR IN FIT 1%
PLOG /  1.00E-01  1.24E+13    0.290    4456 / ! FIT FROM 500-2000 K ERROR IN FIT 3%
PLOG /  1.00E+00  1.46E+19   -1.390    9365 / ! FIT FROM 500-2000 K ERROR IN FIT 5%
PLOG /  1.00E+01  3.07E+23   -2.530   14463 / ! FIT FROM 500-2000 K ERROR IN FIT 7%
PLOG /  1.00E+02  6.15E+19   -1.350   15762 / ! FIT FROM 500-2000 K ERROR IN FIT 19%

!FH_VINYLIC_O-ADDITION__________________________________________________________

!REACTION AT VIN-S SITE
IC5D2Y4+O=TC3H6CHO+HCO                                 1.00E+00    0.000       0 !WAGNON1@LLNL.GOV! AS C3H6+O=CH2CHO+CH3 TABLE S4 CAVALLOTTI J.PHYS.CHEM.LETT. 5 (2014) 4213-4218
PLOG /  1.00E-01  1.15E+11    0.570    1189 / 
PLOG /  1.00E+00  8.12E+08    1.253     539 / 
PLOG /  1.00E+01  1.23E+11    0.562    1220 / 

!FH_VINYLIC_OH-ADDITION_________________________________________________________

IC5D2Y4+OH=IC5Y4OH2-3J                                 1.00E+00    0.000       0 !WAGNON1@LLNL.GOV! A*0.5(ZADOR STATES ~50:50 BRANCHING RATIO FOR C3H6) AS C3H6+OH=ADDITION TABLE 2 ZADOR PHYS.CHEM.CHEM.PHYS. 11 (2009) 11040-11053
PLOG /  1.00E-02  1.82E+77  -20.000   33874 / 
PLOG /  1.00E-02  4.85E+59  -15.510   12898 / 
PLOG /  1.00E-01  6.90E+67  -17.010   27909 / 
PLOG /  1.00E-01  9.00E+55  -14.040   12945 / 
PLOG /  1.00E+00  1.30E+59  -14.170   23079 / 
PLOG /  1.00E+00  1.03E+50  -12.040   11493 / 
PLOG /  1.00E+01  5.03E+53  -12.230   22976 / 
PLOG /  1.00E+01  4.28E+41   -9.350    8921 / 
PLOG /  1.00E+02  9.58E+47  -10.230   23772 / 
PLOG /  1.00E+02  1.53E+32   -6.310    6088 / 
IC5D2Y4+OH=IC5Y4OH3-2J                                 1.00E+00    0.000       0 !WAGNON1@LLNL.GOV! A*0.5(ZADOR STATES ~50:50 BRANCHING RATIO FOR C3H6) AS C3H6+OH=ADDITION TABLE 2 ZADOR PHYS.CHEM.CHEM.PHYS. 11 (2009) 11040-11053
PLOG /  1.00E-02  1.82E+77  -20.000   33874 / 
PLOG /  1.00E-02  4.85E+59  -15.510   12898 / 
PLOG /  1.00E-01  6.90E+67  -17.010   27909 / 
PLOG /  1.00E-01  9.00E+55  -14.040   12945 / 
PLOG /  1.00E+00  1.30E+59  -14.170   23079 / 
PLOG /  1.00E+00  1.03E+50  -12.040   11493 / 
PLOG /  1.00E+01  5.03E+53  -12.230   22976 / 
PLOG /  1.00E+01  4.28E+41   -9.350    8921 / 
PLOG /  1.00E+02  9.58E+47  -10.230   23772 / 
PLOG /  1.00E+02  1.53E+32   -6.310    6088 / 

!O2 ADDITION AFTER OH ADDITION, THEN WADDINGTON DECOMPOSITION
IC5Y4OH2-3J+O2=IC5Y4OH2-3O2                            1.00E+12    0.000       0 !WAGNON1@LLNL.GOV! AS CC(VO)CJC+O2 HPL TABLE 6 SEBBAR Z.PHYS.CHEM. 225 (2011) 993-1018
IC5Y4OH3-2J+O2=IC5Y4OH3-2O2                            9.76E+11    0.325    -417 !WAGNON1@LLNL.GOV! AS T TABLE IV. A. MIYOSHI INT.J.CHEM.KINET. 44 (2012) 59-74
IC5Y4OH2-3O2=>CH3COCH3+CHOCHO+OH                       1.00E+00    0.000       0 !WAGNON1@LLNL.GOV! AS C2C(O[O])CO=C2C(OO)C[O] SUN J.PHYS.CHEM.A 111 (2007) 4974-4986
PLOG /  1.00E-03  3.78E+50  -12.910   31539 / 
PLOG /  1.00E-02  1.42E+45  -10.940   30864 / 
PLOG /  1.00E-01  1.50E+40   -9.210   29932 / 
PLOG /  1.00E+00  3.12E+35   -7.640   28864 / 
PLOG /  1.00E+01  2.73E+29   -5.670   27243 / 
PLOG /  4.00E+01  8.88E+25   -4.540   26272 / 
PLOG /  1.00E+02  4.60E+23   -3.800   25622 / 
PLOG /  2.00E+02  9.08E+21   -3.250   25131 / 
PLOG /  1.00E+03  2.91E+12   -0.226   22300 / !ASSUMING HPL AT 1000 BAR
IC5Y4OH3-2O2=>CH3COCH3+CHOCHO+OH                       1.00E+00    0.000       0 !WAGNON1@LLNL.GOV! AS C2C(O[O])CO=C2C(OO)C[O] SUN J.PHYS.CHEM.A 111 (2007) 4974-4986
PLOG /  1.00E-03  3.78E+50  -12.910   31539 / 
PLOG /  1.00E-02  1.42E+45  -10.940   30864 / 
PLOG /  1.00E-01  1.50E+40   -9.210   29932 / 
PLOG /  1.00E+00  3.12E+35   -7.640   28864 / 
PLOG /  1.00E+01  2.73E+29   -5.670   27243 / 
PLOG /  4.00E+01  8.88E+25   -4.540   26272 / 
PLOG /  1.00E+02  4.60E+23   -3.800   25622 / 
PLOG /  2.00E+02  9.08E+21   -3.250   25131 / 
PLOG /  1.00E+03  2.91E+12   -0.226   22300 / !ASSUMING HPL AT 1000 BAR

!FH_VINYLIC_HO2-ADDITION________________________________________________________

IC5D2Y4+HO2=IC5Y4OOH2-3J                               5.11E+02    2.780   11301 !WAGNON1@LLNL.GOV! AS IC4H8+HO2=(CH3)2(CH2)COOH SUP.MAT. ZADOR J.PHYS.CHEM.A 115 (2011) 10218-10225
PLOG /  1.32E-02  6.68E+14   -2.142   14188 / 
PLOG /  1.00E+00  6.26E+06    0.645    9073 / 
PLOG /  1.00E+01  7.95E+06    0.818    8771 / 
PLOG /  1.00E+02  2.05E+13   -0.821   12919 / 
PLOG /  1.00E+03  5.11E+02    2.780   11301 / !ASSUMING HPL AT 1000 BAR
IC5D2Y4+HO2=IC5Y4OOH3-2J                               4.79E+03    2.580   10347 !WAGNON1@LLNL.GOV! A*0.5(DEG) AS C4H8-2+HO2=(CH3)2(CH2)COOH SUP.MAT. ZADOR J.PHYS.CHEM.A 115 (2011) 10218-10225
PLOG /  1.32E-02  1.27E+12   -1.274   10098 / 
PLOG /  1.00E+00  6.68E+10   -0.477    8480 / 
PLOG /  1.00E+01  9.67E+16   -2.038   12122 / 
PLOG /  1.00E+02  2.23E+19   -2.451   14812 / 
PLOG /  1.00E+03  4.79E+03    2.580   10347 / !ASSUMING HPL AT 1000 BAR

IC5D2Y4+HO2=IC5CHO1-3O+OH                              1.00E+00    0.000       0 !WAGNON1@LLNL.GOV! AS C4H8-2+HO2=C4H8O2-3+OH ZADOR J.PHYS.CHEM.A 115 (2011) 10218-10225
PLOG /  1.32E-02  7.62E+05    1.926   10745 / 
PLOG /  1.00E+00  1.79E+08    1.251   12370 / 
PLOG /  1.00E+01  1.74E+15   -0.740   17220 / 
PLOG /  1.00E+02  8.37E+20   -2.283   22838 / 

IC5Y4OOH2-3J=IC5CHO1-3O+OH                             4.27E+10    0.520    8800 !WAGNON1@LLNL.GOV! AS TABLE 3 #18 ST VILLANO J.PHYS.CHEM.A 116 (2012) 5068-5089
IC5Y4OOH3-2J=IC5CHO1-3O+OH                             5.36E+10    0.540    8900 !WAGNON1@LLNL.GOV! AS TABLE 3 #22 TS VILLANO J.PHYS.CHEM.A 116 (2012) 5068-5089

!CONSUME IC5CHO1-3O, CHO ABSTRACTION
IC5CHO1-3O+O2=>IC3H5CHO+HCO+HO2                        3.01E+13    0.000   39150 !WAGNON1@LLNL.GOV! AS CH3CHO
IC5CHO1-3O+H=>IC3H5CHO+HCO+H2                          1.31E+05    2.580    1220 !WAGNON1@LLNL.GOV! AS CH3CHO
IC5CHO1-3O+O=>IC3H5CHO+HCO+OH                          5.94E+12    0.000    1868 !WAGNON1@LLNL.GOV! AS CH3CHO
IC5CHO1-3O+OH=>IC3H5CHO+HCO+H2O                        3.73E+04    2.600   -2300 !WAGNON1@LLNL.GOV! AS CH3CHO
IC5CHO1-3O+HO2=>IC3H5CHO+HCO+H2O2                      3.01E+12    0.000   11920 !WAGNON1@LLNL.GOV! AS CH3CHO
IC5CHO1-3O+CH3=>IC3H5CHO+HCO+CH4                       7.08E-04    4.580    1966 !WAGNON1@LLNL.GOV! AS CH3CHO

!CONSUME IC5CHO1-3O, P ABSTRACTIONS
IC5CHO1-3O+O2=>TC3H6CHO+CO+HO2                         4.20E+13    0.000   52800 !WAGNON1@LLNL.GOV! A*2(DEG) AS P ALKANE
IC5CHO1-3O+H=>TC3H6CHO+CO+H2                           3.49E+05    2.700    6450 !WAGNON1@LLNL.GOV! A*2(DEG) AS P ALKANE
IC5CHO1-3O+O=>TC3H6CHO+CO+OH                           1.13E+14    0.000    7850 !WAGNON1@LLNL.GOV! A*2(DEG) AS P ALKANE
IC5CHO1-3O+OH=>TC3H6CHO+CO+H2O                         2.73E+07    1.813     868 !WAGNON1@LLNL.GOV! A*2(DEG) AS P ALKANE
IC5CHO1-3O+HO2=>TC3H6CHO+CO+H2O2                       4.08E+01    3.600   17160 !WAGNON1@LLNL.GOV! A*2(DEG) AS P ALKANE
IC5CHO1-3O+CH3=>TC3H6CHO+CO+CH4                        9.04E-01    3.600    7154 !WAGNON1@LLNL.GOV! A*2(DEG) AS P ALKANE

!F_UNIMOLECULAR_________________________________________________________________

IC5D2Y4-4J=IC5D2Y4-1J                                  1.91E+05    1.704   16454 !WAGNON1@LLNL.GOV! ESTIMATE BASED ON 1,4SHIFT WANG J.PHYS.CHEM.A 119 (2015) 7205-7221
IC5D2Y4-4J=IC4H7-I1+CO                                 4.98E+11    0.653   26533 !WAGNON1@LLNL.GOV! AS TABLE S5 #16 SC3H5O=C3H5-S+CO HUYNH J.ORG.CHEM. 73 (2008) 94-101

!F_ALLYLIC_HO2-ADDITION_________________________________________________________

IC5D2Y4-1J+HO2=IC5D1Y4-3OJ+OH                          2.41E+17   -1.228    7798 !WAGNON1@LLNL.GOV! A/2(DEG) AS C3H5-A+HO2=C3H5O+OH GOLDSMITH PROC.COMBUST.INST. 33 (2011) 273-282
PLOG /  1.00E-01  3.99E+09    0.783   -2330 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 0%, MEAN = 0%, MAX = 2% @551K
PLOG /  1.00E+00  5.05E+12   -0.087     -11 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 2%, MEAN = 2%, MAX = 4% @2000K
PLOG /  1.00E+01  8.05E+17   -1.503    4824 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 1%, MEAN = 1%, MAX = 4% @2000K
PLOG /  1.00E+02  2.41E+17   -1.228    7798 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 7%, MEAN = 7%, MAX = 21% @551K
IC5D2Y4-1J+HO2=IC5D2Y4-1OJ+OH                          2.41E+17   -1.228    7798 !WAGNON1@LLNL.GOV! A/2(DEG) AS C3H5-A+HO2=C3H5O+OH GOLDSMITH PROC.COMBUST.INST. 33 (2011) 273-282
PLOG /  1.00E-01  3.99E+09    0.783   -2330 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 0%, MEAN = 0%, MAX = 2% @551K
PLOG /  1.00E+00  5.05E+12   -0.087     -11 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 2%, MEAN = 2%, MAX = 4% @2000K
PLOG /  1.00E+01  8.05E+17   -1.503    4824 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 1%, MEAN = 1%, MAX = 4% @2000K
PLOG /  1.00E+02  2.41E+17   -1.228    7798 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 7%, MEAN = 7%, MAX = 21% @551K

IC5D2Y4-1J+HO2=IC5D1Y4-3OOH                            1.95E+34   -6.795    7654 !WAGNON1@LLNL.GOV! A/2(DEG) AS C3H5-A+HO2=AC3H5OOH GOLDSMITH PROC.COMBUST.INST. 33 (2011) 273-282
PLOG /  1.00E-01  3.05E+17   -3.062   -6394 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 24%, MEAN = 29%, MAX = 176% @2000K
PLOG /  1.00E+00  1.65E+35   -7.872    3123 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 13%, MEAN = 19%, MAX = 204% @2000K
PLOG /  1.00E+01  1.82E+40   -8.906    8118 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 3%, MEAN = 7%, MAX = 73% @2000K
PLOG /  1.00E+02  1.95E+34   -6.795    7654 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 6%, MEAN = 6%, MAX = 16% @551K
IC5D2Y4-1J+HO2=IC5D2Y4-1OOH                            1.95E+34   -6.795    7654 !WAGNON1@LLNL.GOV! A/2(DEG) AS C3H5-A+HO2=AC3H5OOH GOLDSMITH PROC.COMBUST.INST. 33 (2011) 273-282
PLOG /  1.00E-01  3.05E+17   -3.062   -6394 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 24%, MEAN = 29%, MAX = 176% @2000K
PLOG /  1.00E+00  1.65E+35   -7.872    3123 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 13%, MEAN = 19%, MAX = 204% @2000K
PLOG /  1.00E+01  1.82E+40   -8.906    8118 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 3%, MEAN = 7%, MAX = 73% @2000K
PLOG /  1.00E+02  1.95E+34   -6.795    7654 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 6%, MEAN = 6%, MAX = 16% @551K

IC5D1Y4-3OOH=IC5D1Y4-3OJ+OH                            6.01E+36   -6.499   49934 !WAGNON1@LLNL.GOV! AS AC3H5OOH=C3H5O+OH GOLDSMITH PROC.COMBUST.INST. 33 (2011) 273-282
PLOG /  1.00E-01  5.01E+53  -12.285   52661 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 6%, MEAN = 8%, MAX = 56% @2000K
PLOG /  1.00E+00  3.02E+52  -11.592   54256 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 3%, MEAN = 5%, MAX = 30% @2000K
PLOG /  1.00E+01  4.92E+46   -9.608   53425 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 5%, MEAN = 5%, MAX = 15% @551K
PLOG /  1.00E+02  6.01E+36   -6.499   49934 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 7%, MEAN = 7%, MAX = 18% @551K
IC5D2Y4-1OOH=IC5D2Y4-1OJ+OH                            6.01E+36   -6.499   49934 !WAGNON1@LLNL.GOV! AS AC3H5OOH=C3H5O+OH GOLDSMITH PROC.COMBUST.INST. 33 (2011) 273-282
PLOG /  1.00E-01  5.01E+53  -12.285   52661 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 6%, MEAN = 8%, MAX = 56% @2000K
PLOG /  1.00E+00  3.02E+52  -11.592   54256 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 3%, MEAN = 5%, MAX = 30% @2000K
PLOG /  1.00E+01  4.92E+46   -9.608   53425 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 5%, MEAN = 5%, MAX = 15% @551K
PLOG /  1.00E+02  6.01E+36   -6.499   49934 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 7%, MEAN = 7%, MAX = 18% @551K

IC5D1Y4-3OJ=IC3H5CHO+HCO                               3.92E+27   -4.661   15643 !WAGNON1@LLNL.GOV! A/10, E-12KCAL/MOL BASED ON COMPARISON TO BUT-3-EN-2-OXY TABLE 3 RAUK CAN.J.CHEM. 81 (2003) 431-442 FROM C3H5O=C2H3+CH2O GOLDSMITH PROC.COMBUST.INST. 33 (2011) 273-282
PLOG /  1.00E-01  6.06E+15   -2.106    8436 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 7%, MEAN = 6%, MAX = 20% @2000K
PLOG /  1.00E+00  3.16E+16   -2.026    8588 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 6%, MEAN = 6%, MAX = 21% @2000K
PLOG /  1.00E+01  2.39E+21   -3.176   10993 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 6%, MEAN = 6%, MAX = 19% @2000K
PLOG /  1.00E+02  3.92E+27   -4.661   15643 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 4%, MEAN = 4%, MAX = 17% @2000K
IC5D2Y4-1OJ=IC5D2Y14+H                                 2.62E+25   -3.763   23165 !WAGNON1@LLNL.GOV! AS C3H5O=C2H3CHO+H GOLDSMITH PROC.COMBUST.INST. 33 (2011) 273-282
PLOG /  1.00E-01  2.14E+16   -1.924   15969 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 4%, MEAN = 4%, MAX = 11% @2000K
PLOG /  1.00E+00  5.85E+17   -2.091   16747 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 4%, MEAN = 4%, MAX = 13% @2000K
PLOG /  1.00E+01  2.56E+22   -3.172   19951 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 5%, MEAN = 4%, MAX = 15% @2000K
PLOG /  1.00E+02  2.62E+25   -3.763   23165 / !PLOG FROM CHEBYSHEV, 551-2000K; REFIT ABS ERROR: MEDIAN = 2%, MEAN = 2%, MAX = 10% @2000K

IC5D2Y14+O2=>IC3H4CHO-A+CO+HO2                         1.00E+13    0.000   36230 !WAGNON1@LLNL.GOV! ESTIMATE
IC5D2Y14+H=>IC3H4CHO-A+CO+H2                           5.41E+04    2.666    1400 !WAGNON1@LLNL.GOV! ESTIMATE
IC5D2Y14+O=>IC3H4CHO-A+CO+OH                           1.44E+07    1.858    2923 !WAGNON1@LLNL.GOV! ESTIMATE
IC5D2Y14+OH=>IC3H4CHO-A+CO+H2O                         6.70E+05    2.110    -975 !WAGNON1@LLNL.GOV! ESTIMATE
IC5D2Y14+HO2=>IC3H4CHO-A+CO+H2O2                       1.68E+00    3.777    8463 !WAGNON1@LLNL.GOV! ESTIMATE
IC5D2Y14+CH3=>IC3H4CHO-A+CO+CH4                        8.73E-01    3.494    3193 !WAGNON1@LLNL.GOV! ESTIMATE

!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH:  \IC5D2Y4
!----------------------------------------------------------------------------------------------------------------------------------


!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\END_KINETICS_MODULE: C6
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\KINETICS_MODULE: C7
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: NC7H16
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 1.F_UNIMOLECULAR_DECOMPOSITION!REF
!___________________________________________________________________________________________________________ 
NC7H16<=>C6H13-1+CH3                              +5.41000000E+027 -3.35000000E+000 +9.19030000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.21000000E+084 -2.02000000E+001 +1.20586000E+005 /
PLOG /                           +1.00000000E-001 +1.98000000E+069 -1.55800000E+001 +1.14157000E+005 /
PLOG /                           +1.00000000E+000 +5.48000000E+051 -1.03600000E+001 +1.05321000E+005 /
PLOG /                           +2.00000000E+000 +3.58000000E+046 -8.84000000E+000 +1.02532000E+005 /
PLOG /                           +5.00000000E+000 +1.36000000E+040 -6.96000000E+000 +9.89900000E+004 /
PLOG /                           +1.00000000E+001 +5.73000000E+035 -5.68000000E+000 +9.65250000E+004 /
PLOG /                           +2.00000000E+001 +8.09000000E+031 -4.56000000E+000 +9.43240000E+004 /
PLOG /                           +5.00000000E+001 +5.41000000E+027 -3.35000000E+000 +9.19030000E+004 /
NC7H16<=>C5H11-1+C2H5                             +8.45000000E+020 -1.24000000E+000 +8.74140000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.31000000E+077 -1.80300000E+001 +1.16934000E+005 /
PLOG /                           +1.00000000E-001 +2.48000000E+061 -1.31100000E+001 +1.09490000E+005 /
PLOG /                           +1.00000000E+000 +4.62000000E+043 -7.87000000E+000 +1.00282000E+005 /
PLOG /                           +2.00000000E+000 +4.04000000E+038 -6.39000000E+000 +9.75090000E+004 /
PLOG /                           +5.00000000E+000 +2.82000000E+032 -4.59000000E+000 +9.40620000E+004 /
PLOG /                           +1.00000000E+001 +2.11000000E+028 -3.39000000E+000 +9.17110000E+004 /
PLOG /                           +2.00000000E+001 +5.56000000E+024 -2.35000000E+000 +8.96450000E+004 /
PLOG /                           +5.00000000E+001 +8.45000000E+020 -1.24000000E+000 +8.74140000E+004 /
NC7H16<=>PC4H9+NC3H7                              +1.21000000E+031 -4.01000000E+000 +9.12460000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.03000000E+087 -2.08700000E+001 +1.20084000E+005 /
PLOG /                           +1.00000000E-001 +3.26000000E+072 -1.61900000E+001 +1.13496000E+005 /
PLOG /                           +1.00000000E+000 +8.14000000E+054 -1.09700000E+001 +1.04592000E+005 /
PLOG /                           +2.00000000E+000 +5.51000000E+049 -9.45000000E+000 +1.01803000E+005 /
PLOG /                           +5.00000000E+000 +2.27000000E+043 -7.58000000E+000 +9.82720000E+004 /
PLOG /                           +1.00000000E+001 +1.04000000E+039 -6.31000000E+000 +9.58230000E+004 /
PLOG /                           +2.00000000E+001 +1.60000000E+035 -5.20000000E+000 +9.36400000E+004 /
PLOG /                           +5.00000000E+001 +1.21000000E+031 -4.01000000E+000 +9.12460000E+004 /
NC7H16<=>C7H15-1+H                                +2.96000000E+107 -2.68800000E+001 +1.51838000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +7.75000000E+101 -2.67400000E+001 +1.36707000E+005 /
PLOG /                           +1.00000000E-001 +1.58000000E+109 -2.84500000E+001 +1.42837000E+005 /
PLOG /                           +1.00000000E+000 +2.70000000E+116 -3.00700000E+001 +1.50954000E+005 /
PLOG /                           +2.00000000E+000 +1.34000000E+117 -3.01400000E+001 +1.52681000E+005 /
PLOG /                           +5.00000000E+000 +2.87000000E+116 -2.97800000E+001 +1.53956000E+005 /
PLOG /                           +1.00000000E+001 +5.41000000E+114 -2.91700000E+001 +1.54079000E+005 /
PLOG /                           +2.00000000E+001 +1.18000000E+112 -2.83100000E+001 +1.53502000E+005 /
PLOG /                           +5.00000000E+001 +2.96000000E+107 -2.68800000E+001 +1.51838000E+005 /
NC7H16<=>C7H15-2+H                                +5.42000000E+106 -2.65800000E+001 +1.48505000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.12000000E+104 -2.72600000E+001 +1.34548000E+005 /
PLOG /                           +1.00000000E-001 +1.21000000E+112 -2.91600000E+001 +1.41621000E+005 /
PLOG /                           +1.00000000E+000 +1.82000000E+118 -3.04800000E+001 +1.49382000E+005 /
PLOG /                           +2.00000000E+000 +2.58000000E+118 -3.03900000E+001 +1.50791000E+005 /
PLOG /                           +5.00000000E+000 +1.04000000E+117 -2.98300000E+001 +1.51596000E+005 /
PLOG /                           +1.00000000E+001 +6.16000000E+114 -2.90800000E+001 +1.51369000E+005 /
PLOG /                           +2.00000000E+001 +5.15000000E+111 -2.81100000E+001 +1.50481000E+005 /
PLOG /                           +5.00000000E+001 +5.42000000E+106 -2.65800000E+001 +1.48505000E+005 /
NC7H16<=>C7H15-3+H                                +5.42000000E+106 -2.65800000E+001 +1.48505000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.12000000E+104 -2.72600000E+001 +1.34548000E+005 /
PLOG /                           +1.00000000E-001 +1.21000000E+112 -2.91600000E+001 +1.41621000E+005 /
PLOG /                           +1.00000000E+000 +1.82000000E+118 -3.04800000E+001 +1.49382000E+005 /
PLOG /                           +2.00000000E+000 +2.58000000E+118 -3.03900000E+001 +1.50791000E+005 /
PLOG /                           +5.00000000E+000 +1.04000000E+117 -2.98300000E+001 +1.51596000E+005 /
PLOG /                           +1.00000000E+001 +6.16000000E+114 -2.90800000E+001 +1.51369000E+005 /
PLOG /                           +2.00000000E+001 +5.15000000E+111 -2.81100000E+001 +1.50481000E+005 /
PLOG /                           +5.00000000E+001 +5.42000000E+106 -2.65800000E+001 +1.48505000E+005 /
NC7H16<=>C7H15-4+H                                +2.71000000E+106 -2.65800000E+001 +1.48505000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.59000000E+103 -2.72600000E+001 +1.34548000E+005 /
PLOG /                           +1.00000000E-001 +6.06000000E+111 -2.91600000E+001 +1.41621000E+005 /
PLOG /                           +1.00000000E+000 +9.11000000E+117 -3.04800000E+001 +1.49382000E+005 /
PLOG /                           +2.00000000E+000 +1.29000000E+118 -3.03900000E+001 +1.50791000E+005 /
PLOG /                           +5.00000000E+000 +5.18000000E+116 -2.98300000E+001 +1.51596000E+005 /
PLOG /                           +1.00000000E+001 +3.08000000E+114 -2.90800000E+001 +1.51369000E+005 /
PLOG /                           +2.00000000E+001 +2.57000000E+111 -2.81100000E+001 +1.50481000E+005 /
PLOG /                           +5.00000000E+001 +2.71000000E+106 -2.65800000E+001 +1.48505000E+005 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 2.F_H_ABSTRACTION!REF
!___________________________________________________________________________________________________________ 
NC7H16+H<=>C7H15-1+H2                             +3.49000000E+005 +2.70000000E+000 +6.45000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+H<=>C7H15-2+H2                             +2.60000000E+006 +2.40000000E+000 +4.47100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+H<=>C7H15-3+H2                             +2.60000000E+006 +2.40000000E+000 +4.47100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+H<=>C7H15-4+H2                             +1.30000000E+006 +2.40000000E+000 +4.47100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+O<=>C7H15-1+OH                             +1.13000000E+014 +0.00000000E+000 +7.85000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+O<=>C7H15-2+OH                             +5.62000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+O<=>C7H15-3+OH                             +5.62000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+O<=>C7H15-4+OH                             +2.81000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+OH<=>C7H15-1+H2O                           +2.73100000E+007 +1.81300000E+000 +8.68400000E+002 !\Author: WARNING !\Ref: R. SIVARAMAKRISHNAN, J. V. MICHAEL, J. PHYS. CHEM. A, 2009, 113, 5047-5060 !\Comment: WARNING 
NC7H16+OH<=>C7H15-2+H2O                           +1.41000000E+010 +9.35000000E-001 +5.04700000E+002 !\Author: WARNING !\Ref: R. SIVARAMAKRISHNAN, J. V. MICHAEL, J. PHYS. CHEM. A, 2009, 113, 5047-5060 !\Comment: WARNING 
NC7H16+OH<=>C7H15-3+H2O                           +1.14400000E+007 +1.81100000E+000 -1.01550000E+003 !\Author: WARNING !\Ref: R. SIVARAMAKRISHNAN, J. V. MICHAEL, J. PHYS. CHEM. A, 2009, 113, 5047-5060 !\Comment: WARNING 
NC7H16+OH<=>C7H15-4+H2O                           +5.61700000E+011 +3.20000000E-001 +8.46500000E+002 !\Author: WARNING !\Ref: R. SIVARAMAKRISHNAN, J. V. MICHAEL, J. PHYS. CHEM. A, 2009, 113, 5047-5060 !\Comment: WARNING 
NC7H16+O2<=>C7H15-1+HO2                           +4.20000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+O2<=>C7H15-2+HO2                           +2.80000000E+013 +0.00000000E+000 +5.01600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+O2<=>C7H15-3+HO2                           +2.80000000E+013 +0.00000000E+000 +5.01600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+O2<=>C7H15-4+HO2                           +1.40000000E+013 +0.00000000E+000 +5.01600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+HO2=C7H15-1+H2O2                           +2.08000000E+001 +3.59000000E+000 +1.56000000E+004 !\Author: SP !\Ref: 60% OF NEW FIT !\Comment: WARNING 
NC7H16+HO2=C7H15-2+H2O2                           +1.26000000E+002 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+HO2=C7H15-3+H2O2                           +1.26000000E+002 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+HO2=C7H15-4+H2O2                           +6.32000000E+001 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+CH3<=>C7H15-1+CH4                          +9.04000000E-001 +3.60000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+CH3<=>C7H15-2+CH4                          +1.68000000E+005 +2.10000000E+000 +7.57400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+CH3<=>C7H15-3+CH4                          +1.68000000E+005 +2.10000000E+000 +7.57400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+CH3<=>C7H15-4+CH4                          +8.40000000E+004 +2.10000000E+000 +7.57400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+CH3O<=>C7H15-1+CH3OH                       +3.16000000E+011 +0.00000000E+000 +7.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+CH3O<=>C7H15-2+CH3OH                       +2.19000000E+011 +0.00000000E+000 +5.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+CH3O<=>C7H15-3+CH3OH                       +2.19000000E+011 +0.00000000E+000 +5.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+CH3O<=>C7H15-4+CH3OH                       +1.09500000E+011 +0.00000000E+000 +5.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+CH3O2<=>C7H15-1+CH3O2H                     +2.08000000E+001 +3.59000000E+000 +1.76000000E+004 !\Author: SP !\Ref: 60% OF NEW FIT !\Comment: WARNING 
NC7H16+CH3O2<=>C7H15-2+CH3O2H                     +1.26000000E+002 +3.37000000E+000 +1.52200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+CH3O2<=>C7H15-3+CH3O2H                     +1.26000000E+002 +3.37000000E+000 +1.52200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+CH3O2<=>C7H15-4+CH3O2H                     +6.32000000E+001 +3.37000000E+000 +1.52200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+C2H5O2<=>C7H15-1+C2H5O2H                   +2.08000000E+001 +3.59000000E+000 +1.76000000E+004 !\Author: SP !\Ref: 60% OF NEW FIT !\Comment: WARNING 
NC7H16+C2H5O2<=>C7H15-2+C2H5O2H                   +1.26000000E+002 +3.37000000E+000 +1.52200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+C2H5O2<=>C7H15-3+C2H5O2H                   +1.26000000E+002 +3.37000000E+000 +1.52200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+C2H5O2<=>C7H15-4+C2H5O2H                   +6.32000000E+001 +3.37000000E+000 +1.52200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+O2CHO<=>C7H15-1+HO2CHO                     +2.08000000E+001 +3.59000000E+000 +1.56000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+O2CHO<=>C7H15-2+HO2CHO                     +1.26000000E+002 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+O2CHO<=>C7H15-3+HO2CHO                     +1.26000000E+002 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+O2CHO<=>C7H15-4+HO2CHO                     +6.32000000E+001 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+CH3CO3<=>C7H15-1+CH3CO3H                   +2.08000000E+001 +3.59000000E+000 +1.56000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+CH3CO3<=>C7H15-2+CH3CO3H                   +1.26000000E+002 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+CH3CO3<=>C7H15-3+CH3CO3H                   +1.26000000E+002 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+CH3CO3<=>C7H15-4+CH3CO3H                   +6.32000000E+001 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+C2H3<=>C7H15-1+C2H4                        +1.00000000E+012 +0.00000000E+000 +1.80000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+C2H3<=>C7H15-2+C2H4                        +8.00000000E+011 +0.00000000E+000 +1.68000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+C2H3<=>C7H15-3+C2H4                        +8.00000000E+011 +0.00000000E+000 +1.68000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+C2H3<=>C7H15-4+C2H4                        +4.00000000E+011 +0.00000000E+000 +1.68000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+C2H5<=>C7H15-1+C2H6                        +1.00000000E+011 +0.00000000E+000 +1.34000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+C2H5<=>C7H15-2+C2H6                        +1.00000000E+011 +0.00000000E+000 +1.04000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+C2H5<=>C7H15-3+C2H6                        +1.00000000E+011 +0.00000000E+000 +1.04000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
NC7H16+C2H5<=>C7H15-4+C2H6                        +5.00000000E+010 +0.00000000E+000 +1.04000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 3.R_DECOMPOSITION!REF
!___________________________________________________________________________________________________________ 
C7H15-1(+M)<=>C2H4+C5H11-1(+M)                    +7.94000000E+011 +3.30000000E-001 +2.72100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
LOW /                                             +2.80000000E-044 +1.87290000E+001 -6.02500000E+002 /
TROE /                           -1.46600000E+001 +2.19000000E+002 +2.80000000E+001 +5.00000000E+004 /
H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
C7H15-2(+M)<=>PC4H9+C3H6(+M)                      +5.01000000E+011 +5.60000000E-001 +2.80922000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
LOW /                                             +8.90000000E-039 +1.69340000E+001 -6.02500000E+002 /
TROE /                           -2.52700000E+001 +2.23000000E+002 +2.80000000E+001 +5.00000000E+004 /
H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
C7H15-3(+M)<=>NC3H7+C4H8-1(+M)                    +2.95000000E+012 +3.10000000E-001 +2.82571000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
LOW /                                             +2.00000000E-038 +1.68140000E+001 -6.02400000E+002 /
TROE /                           -2.09600000E+001 +2.21000000E+002 +2.80000000E+001 +5.00000000E+004 /
H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
C7H15-3(+M)<=>C6H12-1+CH3(+M)                     +1.10000000E+011 +7.50000000E-001 +2.94016000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
LOW /                                             +1.06000000E-042 +1.80040000E+001 -6.02400000E+002 /
TROE /                           -2.09400000E+001 +2.17000000E+002 +2.80000000E+001 +5.00000000E+004 /
H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
C7H15-4(+M)<=>C2H5+C5H10-1(+M)                    +5.89000000E+012 +3.10000000E-001 +2.82571000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
LOW /                                             +2.10000000E-038 +1.68970000E+001 -6.02500000E+002 /
TROE /                           -2.75400000E+001 +2.24000000E+002 +2.80000000E+001 +5.00000000E+004 /
H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 4.R+O2=E+HO2!REF
!___________________________________________________________________________________________________________ 
C7H15-1+O2<=>C7H14-1+HO2                          +8.37000000E-001 +3.60000000E+000 +1.19600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-2+O2<=>C7H14-1+HO2                          +5.35000000E-001 +3.70000000E+000 +9.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-2+O2<=>C7H14-2+HO2                          +1.07000000E+000 +3.70000000E+000 +9.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-3+O2<=>C7H14-2+HO2                          +1.07000000E+000 +3.70000000E+000 +9.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-3+O2<=>C7H14-3+HO2                          +1.07000000E+000 +3.70000000E+000 +9.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-4+O2<=>C7H14-3+HO2                          +2.14000000E+000 +3.70000000E+000 +9.32200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 5.R_ISOMERIZATION!REF
!___________________________________________________________________________________________________________ 
C7H15-1<=>C7H15-3                                 +1.38600000E+009 +9.80000000E-001 +3.37600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-1<=>C7H15-4                                 +2.54100000E+009 +3.50000000E-001 +1.97600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-2<=>C7H15-3                                 +9.58700000E+008 +1.39000000E+000 +3.97000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-1<=>C7H15-2                                 +5.47800000E+008 +1.62000000E+000 +3.87600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 10.R+O2=RO2!REF
!___________________________________________________________________________________________________________ 
C7H15-1+O2<=>C7H15-1O2                            +6.86300000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-2+O2<=>C7H15-2O2                            +3.48600000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-3+O2<=>C7H15-3O2                            +3.48600000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-4+O2<=>C7H15-4O2                            +3.48600000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 11.R+R'O2=RO+R'O!REF
!___________________________________________________________________________________________________________ 
C7H15-1+HO2<=>C7H15-1O+OH                         +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-2+HO2<=>C7H15-2O+OH                         +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-3+HO2<=>C7H15-3O+OH                         +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-4+HO2<=>C7H15-4O+OH                         +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-1+CH3O2<=>C7H15-1O+CH3O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-2+CH3O2<=>C7H15-2O+CH3O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-3+CH3O2<=>C7H15-3O+CH3O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-4+CH3O2<=>C7H15-4O+CH3O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-1+C7H15-1O2<=>C7H15-1O+C7H15-1O             +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-1+C7H15-2O2<=>C7H15-1O+C7H15-2O             +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-1+C7H15-3O2<=>C7H15-1O+C7H15-3O             +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-1+C7H15-4O2<=>C7H15-1O+C7H15-4O             +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-2+C7H15-1O2<=>C7H15-2O+C7H15-1O             +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-2+C7H15-2O2<=>C7H15-2O+C7H15-2O             +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-2+C7H15-3O2<=>C7H15-2O+C7H15-3O             +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-2+C7H15-4O2<=>C7H15-2O+C7H15-4O             +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-3+C7H15-1O2<=>C7H15-3O+C7H15-1O             +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-3+C7H15-2O2<=>C7H15-3O+C7H15-2O             +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-3+C7H15-3O2<=>C7H15-3O+C7H15-3O             +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-3+C7H15-4O2<=>C7H15-3O+C7H15-4O             +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-4+C7H15-1O2<=>C7H15-4O+C7H15-1O             +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-4+C7H15-2O2<=>C7H15-4O+C7H15-2O             +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-4+C7H15-3O2<=>C7H15-4O+C7H15-3O             +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-4+C7H15-4O2<=>C7H15-4O+C7H15-4O             +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-1O2+CH3<=>C7H15-1O+CH3O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-2O2+CH3<=>C7H15-2O+CH3O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-3O2+CH3<=>C7H15-3O+CH3O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-4O2+CH3<=>C7H15-4O+CH3O                     +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-1O2+C2H5<=>C7H15-1O+C2H5O                   +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-2O2+C2H5<=>C7H15-2O+C2H5O                   +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-3O2+C2H5<=>C7H15-3O+C2H5O                   +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-4O2+C2H5<=>C7H15-4O+C2H5O                   +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 12.RO2=QOOH!REF
!___________________________________________________________________________________________________________ 
C7H15-1O2<=>C7H14OOH1-2                           +4.00900000E+008 +1.10000000E+000 +3.01000000E+004 !\Author: WARNING !\Ref: ! !30100.0 !\Comment: WARNING 
C7H15-1O2<=>C7H14OOH1-3                           +1.36000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: ! !18200.0 !\Comment: WARNING 
C7H15-1O2<=>C7H14OOH1-4                           +3.71800000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: ! !16600.0 !\Comment: WARNING 
C7H15-1O2<=>C7H14OOH1-5                           +2.60000000E+006 +1.00000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: ! !18200.0 !\Comment: WARNING 

C7H15-2O2<=>C7H14OOH2-1                           +1.45686000E+009 +1.10000000E+000 +3.35000000E+004 !\Author: WARNING !\Ref: KZ_RATE RULE !\Comment: WARNING 


C7H15-2O2<=>C7H14OOH2-3                           +1.71600000E+009 +9.00000000E-001 +3.05000000E+004 !\Author: WARNING !\Ref: ! !29500.0 !\Comment: WARNING 
C7H15-2O2<=>C7H14OOH2-4                           +7.03300000E+010 +2.00000000E-001 +1.85000000E+004 !\Author: WARNING !\Ref: ! !18500.0 !\Comment: WARNING 
C7H15-2O2<=>C7H14OOH2-5                           +1.85900000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: ! !16600.0 !\Comment: WARNING 
C7H15-2O2<=>C7H14OOH2-6                           +1.30000000E+006 +1.00000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: ! !18200.0 !\Comment: WARNING 
C7H15-3O2<=>C7H14OOH3-1                           +1.43900000E+007 +1.40000000E+000 +2.18000000E+004 !\Author: WARNING !\Ref: ! !20800.0 !\Comment: WARNING 
C7H15-3O2<=>C7H14OOH3-2                           +1.71600000E+009 +9.00000000E-001 +3.05000000E+004 !\Author: WARNING !\Ref: ! !29500.0 !\Comment: WARNING 
C7H15-3O2<=>C7H14OOH3-4                           +1.71600000E+009 +9.00000000E-001 +3.05000000E+004 !\Author: WARNING !\Ref: ! !29500.0 !\Comment: WARNING 
C7H15-3O2<=>C7H14OOH3-5                           +7.03300000E+010 +2.00000000E-001 +1.85000000E+004 !\Author: WARNING !\Ref: ! !18500.0 !\Comment: WARNING 
C7H15-3O2<=>C7H14OOH3-6                           +1.85900000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: ! !16600.0 !\Comment: WARNING 
C7H15-3O2<=>C7H14OOH3-7                           +1.47000000E+005 +1.50000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: ! !19900.0 !\Comment: WARNING 
C7H15-4O2<=>C7H14OOH4-1                           +6.16000000E+005 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: ! !20000.0 !\Comment: WARNING 
C7H15-4O2<=>C7H14OOH4-2                           +1.40700000E+011 +2.00000000E-001 +1.85000000E+004 !\Author: WARNING !\Ref: ! !18500.0 !\Comment: WARNING 
C7H15-4O2<=>C7H14OOH4-3                           +3.43200000E+009 +9.00000000E-001 +3.05000000E+004 !\Author: WARNING !\Ref: ! !29500.0 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 12A.RO2=E+HO2!REF
!___________________________________________________________________________________________________________ 
C7H15-1O2<=>C7H14-1+HO2                           +3.87000000E+007 +1.58000000E+000 +2.85000000E+004 !\Author: WARNING !\Ref: !28500.0 !\Comment: WARNING 
C7H15-2O2<=>C7H14-1+HO2                           +3.60500000E+009 +1.13000000E+000 +3.06000000E+004 !\Author: WARNING !\Ref: !30100.0 !\Comment: WARNING 
C7H15-2O2<=>C7H14-2+HO2                           +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: !29362.0 !\Comment: WARNING 
C7H15-3O2<=>C7H14-2+HO2                           +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: !29362.0 !\Comment: WARNING 
C7H15-3O2<=>C7H14-3+HO2                           +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: !29362.0 !\Comment: WARNING 
C7H15-4O2<=>C7H14-3+HO2                           +1.23300000E+010 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: !29883.0 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: ALKENE+HO2<=>CYCETH+OH
!___________________________________________________________________________________________________________ 
C7H14-1+HO2<=>C7H14O1-2+OH                        +2.73000000E+021 -2.51000000E+000 +2.78570000E+004 !\Author: WARNING !\Ref: ZADOR, J., KLIPPENSTEIN, S. J., & MILLER, J. A.(2011). THE JOURNAL OF PHYSICAL CHEMISTRY A, 115(36), 10218-10225. !\Comment: WARNING 
C7H14-2+HO2<=>C7H14O2-3+OH                        +8.37000000E+020 -2.28314000E+000 +2.28380000E+004 !\Author: WARNING !\Ref: ZADOR, J., KLIPPENSTEIN, S. J., & MILLER, J. A.(2011). THE JOURNAL OF PHYSICAL CHEMISTRY A, 115(36), 10218-10225. !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 13.RO2+HO2=ROOH+O2!REF
!___________________________________________________________________________________________________________ 
C7H15OOH-1+O2<=>C7H15-1O2+HO2                     +3.75000000E+013 -8.00000000E-001 +3.36200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15OOH-2+O2<=>C7H15-2O2+HO2                     +4.38000000E+013 -8.00000000E-001 +3.36400000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15OOH-3+O2<=>C7H15-3O2+HO2                     +4.38000000E+013 -8.00000000E-001 +3.36400000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15OOH-4+O2<=>C7H15-4O2+HO2                     +4.38000000E+013 -8.00000000E-001 +3.36400000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 14.RO2+H2O2=ROOH+HO2!REF
!___________________________________________________________________________________________________________ 
C7H15OOH-1+HO2<=>C7H15-1O2+H2O2                   +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15OOH-2+HO2<=>C7H15-2O2+H2O2                   +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15OOH-3+HO2<=>C7H15-3O2+H2O2                   +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15OOH-4+HO2<=>C7H15-4O2+H2O2                   +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 14A.RO2+F=ROOH+R'!REF
!___________________________________________________________________________________________________________ 
C7H15-1O2+NC7H16<=>C7H15OOH-1+C7H15-1             +1.21000000E+013 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-1O2+NC7H16<=>C7H15OOH-1+C7H15-2             +8.06000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-1O2+NC7H16<=>C7H15OOH-1+C7H15-3             +8.06000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-1O2+NC7H16<=>C7H15OOH-1+C7H15-4             +4.03000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-2O2+NC7H16<=>C7H15OOH-2+C7H15-1             +1.21000000E+013 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-2O2+NC7H16<=>C7H15OOH-2+C7H15-2             +8.06000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-2O2+NC7H16<=>C7H15OOH-2+C7H15-3             +8.06000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-2O2+NC7H16<=>C7H15OOH-2+C7H15-4             +4.03000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-3O2+NC7H16<=>C7H15OOH-3+C7H15-1             +1.21000000E+013 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-3O2+NC7H16<=>C7H15OOH-3+C7H15-2             +8.06000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-3O2+NC7H16<=>C7H15OOH-3+C7H15-3             +8.06000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-3O2+NC7H16<=>C7H15OOH-3+C7H15-4             +4.03000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-4O2+NC7H16<=>C7H15OOH-4+C7H15-1             +1.21000000E+013 +0.00000000E+000 +2.04300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-4O2+NC7H16<=>C7H15OOH-4+C7H15-2             +8.06000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-4O2+NC7H16<=>C7H15OOH-4+C7H15-3             +8.06000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-4O2+NC7H16<=>C7H15OOH-4+C7H15-4             +4.03000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 15.RO2+CH3O2=RO+CH3O+O2!REF
!___________________________________________________________________________________________________________ 
C7H15-1O2+CH3O2=>C7H15-1O+CH3O+O2                 +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-2O2+CH3O2=>C7H15-2O+CH3O+O2                 +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-3O2+CH3O2=>C7H15-3O+CH3O+O2                 +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-4O2+CH3O2=>C7H15-4O+CH3O+O2                 +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 16.RO2+R'O2=RO+R'O+O2!REF
!___________________________________________________________________________________________________________ 
C7H15-1O2+C7H15-1O2=>C7H15-1O+C7H15-1O+O2         +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-1O2+C7H15-2O2=>C7H15-1O+C7H15-2O+O2         +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-1O2+C7H15-3O2=>C7H15-1O+C7H15-3O+O2         +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-1O2+C7H15-4O2=>C7H15-1O+C7H15-4O+O2         +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-2O2+C7H15-2O2=>C7H15-2O+C7H15-2O+O2         +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-2O2+C7H15-3O2=>C7H15-2O+C7H15-3O+O2         +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-2O2+C7H15-4O2=>C7H15-2O+C7H15-4O+O2         +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-3O2+C7H15-3O2=>C7H15-3O+C7H15-3O+O2         +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-3O2+C7H15-4O2=>C7H15-3O+C7H15-4O+O2         +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-4O2+C7H15-4O2=>C7H15-4O+C7H15-4O+O2         +1.40000000E+016 -1.60000000E+000 +1.86000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 17.ROOH=RO+OH!REF
!___________________________________________________________________________________________________________ 
C7H15OOH-1<=>C7H15-1O+OH                          +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15OOH-2<=>C7H15-2O+OH                          +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15OOH-3<=>C7H15-3O+OH                          +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15OOH-4<=>C7H15-4O+OH                          +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 18.RO_DECOMPOSITION!REF
!___________________________________________________________________________________________________________ 
C7H15-1O=>PC4H9+C2H4+CH2O                         +2.00000000E+013 +0.00000000E+000 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-2O=>CH3CHO+C2H4+NC3H7                       +2.00000000E+013 +0.00000000E+000 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-3O=>NC3H7+CH3CO+C2H5                        +2.00000000E+013 +0.00000000E+000 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H15-4O=>HCO+NC3H7+NC3H7                         +2.00000000E+013 +0.00000000E+000 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 19.QOOH=CETH+OH!REF
!___________________________________________________________________________________________________________ 
C7H14OOH1-2=C7H14O1-2+OH                          +3.55000000E+012 +0.00000000E+000 +1.07140000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH1-3=C7H14O1-3+OH                          +9.51000000E+011 +0.00000000E+000 +1.66200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH1-4=C7H14O1-4+OH                          +2.77000000E+010 +0.00000000E+000 +1.05010000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH1-5=C7H14O1-5+OH                          +1.04000000E+010 +0.00000000E+000 +1.11370000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-1=C7H14O1-2+OH                          +3.55000000E+012 +0.00000000E+000 +1.23720000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-3=C7H14O2-3+OH                          4.44E+09    0.916    9389!+1.78000000E+012 +0.00000000E+000 +1.27020000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-4=C7H14O2-4+OH                          +6.34000000E+011 +0.00000000E+000 +1.76120000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-5=C7H14O2-5+OH                          +4.81000000E+007 +9.40000000E-001 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-6=C7H14O2-6+OH                          +1.04000000E+010 +0.00000000E+000 +1.11290000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-1=C7H14O1-3+OH                          +6.34000000E+011 +0.00000000E+000 +1.73340000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-2=C7H14O2-3+OH                          4.44E+09    0.916    9389!+1.78000000E+012 +0.00000000E+000 +1.27020000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-4=C7H14O3-4+OH                          4.44E+09    0.916    9389!+1.78000000E+012 +0.00000000E+000 +1.27020000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-5=C7H14O3-5+OH                          +0.63400000E+012 +0.00000000E+000 +1.76120000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-6=C7H14O2-5+OH                          +4.81000000E+007 +9.40000000E-001 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-7=C7H14O1-5+OH                          +1.04000000E+010 +0.00000000E+000 +1.19080000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-1=C7H14O1-4+OH                          +2.77000000E+010 +0.00000000E+000 +1.15730000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-2=C7H14O2-4+OH                          +6.34000000E+011 +0.00000000E+000 +1.76120000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-3=C7H14O3-4+OH                          4.44E+09    0.916    9389!+1.78000000E+012 +0.00000000E+000 +1.27020000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 20.QOOH=E+HO2!REF
!___________________________________________________________________________________________________________ 
C7H14-1+HO2<=>C7H14OOH1-2                         +2.82000000E+004 +2.49000000E+000 +1.47340000E+004 !\Author: WARNING !\Ref: ZADOR, J., KLIPPENSTEIN, S. J., & MILLER, J. A.(2011). THE JOURNAL OF PHYSICAL CHEMISTRY A, 115(36), 10218-10225. !\Comment: WARNING 
C7H14-1+HO2<=>C7H14OOH2-1                         +1.36000000E+002 +3.00000000E+000 +1.24840000E+004 !\Author: WARNING !\Ref: ZADOR, J., KLIPPENSTEIN, S. J., & MILLER, J. A.(2011). THE JOURNAL OF PHYSICAL CHEMISTRY A, 115(36), 10218-10225. !\Comment: WARNING 
C7H14-2+HO2<=>C7H14OOH2-3                         +4.78000000E+003 +2.58000000E+000 +1.03470000E+004 !\Author: WARNING !\Ref: ZADOR, J., KLIPPENSTEIN, S. J., & MILLER, J. A.(2011). THE JOURNAL OF PHYSICAL CHEMISTRY A, 115(36), 10218-10225. !\Comment: WARNING 
C7H14-2+HO2<=>C7H14OOH3-2                         +4.78000000E+003 +2.58000000E+000 +1.03470000E+004 !\Author: WARNING !\Ref: ZADOR, J., KLIPPENSTEIN, S. J., & MILLER, J. A.(2011). THE JOURNAL OF PHYSICAL CHEMISTRY A, 115(36), 10218-10225. !\Comment: WARNING 
C7H14-3+HO2<=>C7H14OOH3-4                         +4.78000000E+003 +2.58000000E+000 +1.03470000E+004 !\Author: WARNING !\Ref: ZADOR, J., KLIPPENSTEIN, S. J., & MILLER, J. A.(2011). THE JOURNAL OF PHYSICAL CHEMISTRY A, 115(36), 10218-10225. !\Comment: WARNING 
C7H14-3+HO2<=>C7H14OOH4-3                         +4.78000000E+003 +2.58000000E+000 +1.03470000E+004 !\Author: WARNING !\Ref: ZADOR, J., KLIPPENSTEIN, S. J., & MILLER, J. A.(2011). THE JOURNAL OF PHYSICAL CHEMISTRY A, 115(36), 10218-10225. !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 21.QOOH_DECOMPOSITION!REF
!___________________________________________________________________________________________________________ 
C7H14OOH1-3=>CH2O+C6H12-1+OH                      +3.08100000E+013 +0.00000000E+000 +2.73306000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH1-4<=>C2H4O2H+C5H10-1                     +1.39200000E+014 +0.00000000E+000 +2.80806000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-4=>CH3CHO+C5H10-1+OH                    +3.08100000E+013 +0.00000000E+000 +2.49040000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-5<=>C3H6OOH2-1+C4H8-1                   +1.39200000E+014 +0.00000000E+000 +2.84061000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-1=>PC4H9CHO+C2H4+OH                     +3.08100000E+013 +0.00000000E+000 +2.46084000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-5=>C2H5CHO+C4H8-1+OH                    +3.08100000E+013 +0.00000000E+000 +2.51360000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-6<=>C4H8OOH2-1+C3H6                     +1.39200000E+014 +0.00000000E+000 +2.84151000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-1<=>C5H10OOH2-1+C2H4                    +1.39200000E+014 +0.00000000E+000 +2.81052000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-2=>NC3H7CHO+C3H6+OH                     +3.08100000E+013 +0.00000000E+000 +2.47744000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 22.QOOH+O2=O2QOOH!REF
!___________________________________________________________________________________________________________ 
C7H14OOH1-2+O2<=>C7H14OOH1-2O2                    +1.56700000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: 0.872E+14 1.742E+14 !\Comment: WARNING 
C7H14OOH1-3+O2<=>C7H14OOH1-3O2                    +1.56700000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: 0.872E+14 1.742E+14 !\Comment: WARNING 
C7H14OOH1-4+O2<=>C7H14OOH1-4O2                    +1.56700000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: 0.872E+14 1.742E+14 !\Comment: WARNING 
C7H14OOH1-5+O2<=>C7H14OOH1-5O2                    +1.56700000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: 0.872E+14 1.742E+14 !\Comment: WARNING 
C7H14OOH2-1+O2<=>C7H14OOH2-1O2                    +3.08800000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: 1.716E+16 3.432E+16 !\Comment: WARNING 
C7H14OOH2-3+O2<=>C7H14OOH2-3O2                    +1.56700000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: 0.872E+14 1.742E+14 !\Comment: WARNING 
C7H14OOH2-4+O2<=>C7H14OOH2-4O2                    +1.56700000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: 0.872E+14 1.742E+14 !\Comment: WARNING 
C7H14OOH2-5+O2<=>C7H14OOH2-5O2                    +1.56700000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: 0.872E+14 1.742E+14 !\Comment: WARNING 
C7H14OOH2-6+O2<=>C7H14OOH2-6O2                    +1.56700000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: 0.872E+14 1.742E+14 !\Comment: WARNING 
C7H14OOH3-1+O2<=>C7H14OOH3-1O2                    +3.08800000E+016 -1.62700000E+000 +1.98700000E+002 !\Author: WARNING !\Ref: 1.716E+16 3.432E+16 !\Comment: WARNING 
C7H14OOH3-2+O2<=>C7H14OOH3-2O2                    +1.56700000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: 0.872E+14 1.742E+14 !\Comment: WARNING 
C7H14OOH3-4+O2<=>C7H14OOH3-4O2                    +1.56700000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: 0.872E+14 1.742E+14 !\Comment: WARNING 
C7H14OOH3-5+O2<=>C7H14OOH3-5O2                    +1.56700000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: 0.872E+14 1.742E+14 !\Comment: WARNING 
C7H14OOH3-6+O2<=>C7H14OOH3-6O2                    +1.56700000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: 0.872E+14 1.742E+14 !\Comment: WARNING 
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C7H14OOH1-3O2=>C7KET13+OH                         +1.09800000E+004 +2.40000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C7H14OOH3-2O2=>C7KET32+OH                         +1.74800000E+008 +1.70000000E+000 +2.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-4O2=>C7KET34+OH                         +1.74800000E+008 +1.70000000E+000 +2.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C7H14OOH4-3O2=>C7KET43+OH                         +1.74800000E+008 +1.70000000E+000 +2.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C7H14OOH1-2O2<=>C7H13Q12-3                        +1.71600000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH1-2O2<=>C7H13Q12-4                        +7.03300000E+010 +2.00000000E-001 +1.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH1-2O2<=>C7H13Q12-5                        +1.85900000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C7H14OOH1-3O2<=>C7H13Q13-6                        +1.85900000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH1-3O2<=>C7H13Q13-7                        +1.47000000E+005 +1.50000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C7H14OOH1-4O2<=>C7H13Q14-6                        +1.40700000E+011 +2.00000000E-001 +1.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C7H14OOH1-5O2<=>C7H13Q15-7                        +1.43900000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C7H14OOH2-1O2<=>C7H13Q12-4                        +3.71800000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C7H14OOH2-3O2<=>C7H13Q23-7                        +1.47000000E+005 +1.50000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C7H14OOH2-5O2<=>C7H13Q25-6                        +1.71600000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-5O2<=>C7H13Q25-7                        +1.43900000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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DUP
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DUP
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C7H14OOH3-1O2<=>C7H13Q13-4                        +3.71800000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-1O2<=>C7H13Q13-5                        +2.60000000E+006 +1.00000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C7H14OOH3-2O2<=>C7H13Q23-5                        +1.85900000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C7H14OOH3-4O2<=>C7H13Q34-5                        +3.43200000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-4O2<=>C7H13Q34-6                        +1.40700000E+011 +2.00000000E-001 +1.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-4O2<=>C7H13Q34-7                        +1.23300000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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DUP
C7H14OOH3-5O2<=>C7H13Q35-1                        +1.47000000E+005 +1.50000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
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DUP
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DUP
C7H14OOH3-5O2<=>C7H13Q35-4                        +1.71600000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-6O2<=>C7H13Q25-6                        +1.30000000E+006 +1.00000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-6O2<=>C7H13Q25-4                        +7.03300000E+010 +2.00000000E-001 +1.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-6O2<=>C7H13Q25-3                        +1.71600000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-6O2<=>C7H13Q25-1                        +2.11000000E+011 +2.00000000E-001 +3.42000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-7O2<=>C7H13Q15-4                        +3.71800000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-7O2<=>C7H13Q15-3                        +1.36000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-7O2<=>C7H13Q15-2                        +4.00900000E+008 +1.10000000E+000 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-1O2<=>C7H13Q14-2                        +4.00900000E+008 +1.10000000E+000 +3.01000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-1O2<=>C7H13Q14-3                        +1.36000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-1O2<=>C7H13Q14-5                        +2.60000000E+006 +1.00000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-2O2<=>C7H13Q24-1                        +2.11000000E+011 +2.00000000E-001 +3.42000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-2O2<=>C7H13Q24-3                        +1.71600000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-2O2<=>C7H13Q24-5                        +1.85900000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-2O2<=>C7H13Q24-6                        +1.30000000E+006 +1.00000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-3O2<=>C7H13Q34-1                        +1.43900000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-3O2<=>C7H13Q34-2                        +1.71600000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-3O2<=>C7H13Q34-5                        +7.03300000E+010 +2.00000000E-001 +1.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-3O2<=>C7H13Q34-6                        +1.85900000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-3O2<=>C7H13Q34-7                        +1.47000000E+005 +1.50000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 23C.HOOPOOH_DECOMPOSITION!REF
!___________________________________________________________________________________________________________ 
C7H13Q12-3=>NC5H10CHO-1+CH2O2H+OH                 +3.08100000E+013 +0.00000000E+000 +5.58888000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q12-4=>C5H10-1+HO2CH2CHO+OH                  +3.08100000E+013 +0.00000000E+000 +3.96480000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q12-5<=>C4H8-1+C3H51-2,3OOH                  +1.39200000E+014 +0.00000000E+000 +2.60251000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q13-4=>C2H4O2H+PC4H8CHO-1+OH                 +1.39200000E+014 +0.00000000E+000 +4.78209000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q13-5=>C3KET13+C4H8-1+OH                     +3.08100000E+013 +0.00000000E+000 +2.42764000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q13-6=>C4H71-4OOH+C3H6+HO2                   +1.39200000E+014 +0.00000000E+000 +2.84151000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q14-2=>AC3H5OOH+NC3H7CHO+OH                  +3.08100000E+013 +0.00000000E+000 +2.65004000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q14-3=>C6H11-1D3OOH+CH2O+OH                  +3.08100000E+013 +0.00000000E+000 +2.89684000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q14-6=>NC4KET14+C3H6+OH                      +3.08100000E+013 +0.00000000E+000 +2.47744000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q14-7<=>C5H91-2,5OOH+C2H4                    +1.39200000E+014 +0.00000000E+000 +2.75471000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q15-2<=>AC3H5OOH+C4H8OOH2-1                  +1.39200000E+014 +0.00000000E+000 +3.14436000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q15-3=>C6H11-1D4OOH+CH2O+OH                  +3.08100000E+013 +0.00000000E+000 +2.73306000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q15-3=>C4H71-4OOH+C2H5CHO+OH                 +3.08100000E+013 +0.00000000E+000 +2.48869000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q15-4<=>C2H4O2H+C5H91-3OOH                   +1.39200000E+014 +0.00000000E+000 +2.76156000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q15-7=>NC5KET15+C2H4+OH                      +3.08100000E+013 +0.00000000E+000 +2.40625000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q23-1=>CH2CHO+PC4H9CHO+2OH                   +3.08100000E+013 +0.00000000E+000 +3.15952000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q23-4=>CH3CHO+PC4H8CHO-1+2OH                 +3.08100000E+013 +0.00000000E+000 +3.14289000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q23-5=>C3KET12+C4H8-1+OH                     +3.08100000E+013 +0.00000000E+000 +2.40326000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q23-6=>C4H71-3OOH+C3H6+HO2                   +1.39200000E+014 +0.00000000E+000 +2.84151000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q24-1=>CH2CHO+C5H10OOH2-1+OH                 +1.39200000E+014 +0.00000000E+000 +4.86558000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q24-6=>NC4KET13+C3H6+OH                      +3.08100000E+013 +0.00000000E+000 +2.47744000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q24-7<=>C5H91-2,4OOH+C2H4                    +1.39200000E+014 +0.00000000E+000 +2.78634000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q25-3=>C2H5CHO+C4H71-3OOH+OH                 +3.08100000E+013 +0.00000000E+000 +2.48657000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q25-4=>CH3CHO+C5H91-3OOH+OH                  +3.08100000E+013 +0.00000000E+000 +2.46389000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q25-7=>NC5KET14+C2H4+OH                      +3.08100000E+013 +0.00000000E+000 +2.42427000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q26-3<=>C4H71-3OOH+C3H6OOH2-1                +1.39200000E+014 +0.00000000E+000 +2.79318000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q26-4=>CH3CHO+C5H91-4OOH+OH                  +3.08100000E+013 +0.00000000E+000 +2.48403000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q34-1=>NC5KET12+C2H4+OH                      +3.08100000E+013 +0.00000000E+000 +2.54671000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q34-2=>CH3CHCHO+NC3H7CHO+2OH                 +3.08100000E+013 +0.00000000E+000 +3.10876000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q34-5=>C2H5CHO+C3H6CHO-1+2OH                 +3.08100000E+013 +0.00000000E+000 +3.16769000E+004 !\Author: WARNING !\Ref: !ABS_C3H6CHO-1 / C3H6CHO-3 !\Comment: WARNING 
C7H13Q34-6=>NC4KET12+C3H6+OH                      +3.08100000E+013 +0.00000000E+000 +2.65289000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q34-7<=>C5H91-2,3OOH+C2H4                    +1.39200000E+014 +0.00000000E+000 +2.78634000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q35-1=>NC5KET13+C2H4+OH                      +3.08100000E+013 +0.00000000E+000 +2.42427000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q35-2=>CH3CHCHO+C4H8OOH2-1+OH                +1.39200000E+014 +0.00000000E+000 +4.77837000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 24.KET_DECOMPOSITION!REF
!___________________________________________________________________________________________________________ 
C7KET12<=>C7KET12O+OH                             +1.05000000E+016 +0.00000000E+000 +4.22000000E+004 !\Author: WARNING !\Ref: ! ! !41900.0 +0.5 KCAL 42600.0 !\Comment: WARNING 
C7KET13<=>C7KET13O+OH                             +1.05000000E+016 +0.00000000E+000 +4.22000000E+004 !\Author: WARNING !\Ref: ! ! !41900.0 +0.5 KCAL 42600.0 !\Comment: WARNING 
C7KET14<=>C7KET14O+OH                             +1.05000000E+016 +0.00000000E+000 +4.22000000E+004 !\Author: WARNING !\Ref: ! ! !41900.0 +0.5 KCAL 42600.0 !\Comment: WARNING 
C7KET15<=>C7KET15O+OH                             +1.05000000E+016 +0.00000000E+000 +4.22000000E+004 !\Author: WARNING !\Ref: ! ! !41900.0 +0.5 KCAL 42600.0 !\Comment: WARNING 
C7KET21<=>C7KET21O+OH                             +1.50000000E+016 +0.00000000E+000 +4.24000000E+004 !\Author: WARNING !\Ref: ! ! !42300.0 +0.5 KCAL 43000.0 !\Comment: WARNING 
C7KET23<=>C7KET23O+OH                             +1.05000000E+016 +0.00000000E+000 +4.22000000E+004 !\Author: WARNING !\Ref: ! ! !41900.0 +0.5 KCAL 42600.0 !\Comment: WARNING 
C7KET24<=>C7KET24O+OH                             +1.05000000E+016 +0.00000000E+000 +4.22000000E+004 !\Author: WARNING !\Ref: ! ! !41900.0 +0.5 KCAL 42600.0 !\Comment: WARNING 
C7KET25<=>C7KET25O+OH                             +1.05000000E+016 +0.00000000E+000 +4.22000000E+004 !\Author: WARNING !\Ref: ! ! !41900.0 +0.5 KCAL 42600.0 !\Comment: WARNING 
C7KET26<=>C7KET26O+OH                             +1.05000000E+016 +0.00000000E+000 +4.22000000E+004 !\Author: WARNING !\Ref: ! ! !41900.0 +0.5 KCAL 42600.0 !\Comment: WARNING 
C7KET31<=>C7KET31O+OH                             +1.50000000E+016 +0.00000000E+000 +4.24000000E+004 !\Author: WARNING !\Ref: ! ! !42300.0 +0.5 KCAL 42300.0 !\Comment: WARNING 
C7KET32<=>C7KET32O+OH                             +1.05000000E+016 +0.00000000E+000 +4.22000000E+004 !\Author: WARNING !\Ref: ! ! !41900.0 +0.5 KCAL 42600.0 !\Comment: WARNING 
C7KET34<=>C7KET34O+OH                             +1.05000000E+016 +0.00000000E+000 +4.22000000E+004 !\Author: WARNING !\Ref: ! ! !41900.0 +0.5 KCAL 42600.0 !\Comment: WARNING 
C7KET35<=>C7KET35O+OH                             +1.05000000E+016 +0.00000000E+000 +4.22000000E+004 !\Author: WARNING !\Ref: ! ! !41900.0 +0.5 KCAL 42600.0 !\Comment: WARNING 
C7KET36<=>C7KET36O+OH                             +1.05000000E+016 +0.00000000E+000 +4.22000000E+004 !\Author: WARNING !\Ref: ! ! !41900.0 +0.5 KCAL 42600.0 !\Comment: WARNING 
C7KET37<=>C7KET37O+OH                             +1.50000000E+016 +0.00000000E+000 +4.24000000E+004 !\Author: WARNING !\Ref: ! ! !42300.0 +0.5 KCAL 43000.0 !\Comment: WARNING 
C7KET41<=>C7KET41O+OH                             +1.50000000E+016 +0.00000000E+000 +4.24000000E+004 !\Author: WARNING !\Ref: ! ! !42300.0 +0.5 KCAL 43000.0 !\Comment: WARNING 
C7KET42<=>C7KET42O+OH                             +1.05000000E+016 +0.00000000E+000 +4.22000000E+004 !\Author: WARNING !\Ref: ! ! !41900.0 +0.5 KCAL 42600.0 !\Comment: WARNING 
C7KET43<=>C7KET43O+OH                             +1.05000000E+016 +0.00000000E+000 +4.22000000E+004 !\Author: WARNING !\Ref: ! ! !41900.0 +0.5 KCAL 42600.0 !\Comment: WARNING 
C7KET12O<=>NC5H11CHO+HCO                          +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7KET13O<=>PC4H9CHO+CH2CHO                        +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7KET14O<=>NC3H7CHO+CH2CH2CHO                     +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7KET15O<=>C2H5CHO+C3H6CHO-3                      +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: !ABS_C3H6CHO-1 / C3H6CHO-3 !\Comment: WARNING 
C7KET21O<=>CH2O+NC5H11CO                          +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7KET23O<=>PC4H9CHO+CH3CO                         +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7KET24O<=>NC3H7CHO+CH3COCH2                      +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7KET25O<=>C2H5CHO+CH2CH2COCH3                    +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7KET26O<=>CH3CHO+CH2CH2CH2COCH3                  +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7KET31O<=>CH2O+C6Y2-1J                           +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7KET32O<=>CH3CHO+PC4H9CO                         +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7KET34O<=>NC3H7CHO+C2H5CO                        +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7KET35O<=>C2H5CHO+C2H5COCH2                      +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7KET36O<=>CH3CHO+CH2CH2COC2H5                    +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7KET37O<=>C6Y3-6J+CH2O                           +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7KET41O<=>C6Y3-1J+CH2O                           +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7KET42O<=>CH3CHO+NC3H7COCH2                      +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7KET43O<=>C2H5CHO+NC3H7CO                        +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 24A.HOOPOOH=EROOH+HO2!REF
!___________________________________________________________________________________________________________ 
C7H13Q12-3<=>C7H13-2D1OOH+HO2                     +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q13-2<=>C7H13-1D3OOH+HO2                     +5.63000000E+009 +9.70000000E-001 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q13-2<=>C7H13-2D1OOH+HO2                     +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q13-4<=>C7H13-3D1OOH+HO2                     +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q14-2<=>C7H13-1D4OOH+HO2                     +5.63000000E+009 +9.70000000E-001 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q14-3<=>C7H13-3D1OOH+HO2                     +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q14-5<=>C7H13-3D7OOH+HO2                     +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q15-2<=>C7H13-1D5OOH+HO2                     +5.63000000E+009 +9.70000000E-001 +1.50000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q15-4<=>C7H13-3D7OOH+HO2                     +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q15-6<=>C7H13-2D7OOH+HO2                     +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q23-1<=>C7H13-1D3OOH+HO2                     +1.78000000E+012 +2.40000000E-001 +1.57000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q23-4<=>C7H13-3D2OOH+HO2                     +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q24-1<=>C7H13-1D4OOH+HO2                     +1.78000000E+012 +2.40000000E-001 +1.57000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q24-3<=>C7H13-2D4OOH+HO2                     +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q24-3<=>C7H13-3D2OOH+HO2                     +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q24-5<=>C7H13-3D6OOH+HO2                     +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q25-1<=>C7H13-1D5OOH+HO2                     +1.78000000E+012 +2.40000000E-001 +1.57000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q25-3<=>C7H13-2D5OOH+HO2                     +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q25-4<=>C7H13-3D6OOH+HO2                     +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q25-6<=>C7H13-2D6OOH+HO2                     +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q26-1<=>C7H13-1D6OOH+HO2                     +1.78000000E+012 +2.40000000E-001 +1.57000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q26-3<=>C7H13-2D6OOH+HO2                     +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q34-2<=>C7H13-2D4OOH+HO2                     +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q34-5<=>C7H13-3D5OOH+HO2                     +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q35-2<=>C7H13-2D5OOH+HO2                     +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q35-4<=>C7H13-3D5OOH+HO2                     +7.00000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 24B.EROOH_DECOMPOSITION!REF
!___________________________________________________________________________________________________________ 
C7H13-1D4OOH=>C3H5-A+NC3H7CHO+OH                  +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13-1D5OOH=>C4H71-4+C2H5CHO+OH                  +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13-1D6OOH=>C5H91-5+CH3CHO+OH                   +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13-2D4OOH=>SC3H5CHO+NC3H7+OH                   +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13-2D5OOH=>C4H71-3+C2H5CHO+OH                  +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13-2D6OOH=>C5H92-5+CH3CHO+OH                   +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13-2D7OOH=>C6H112-6+CH2O+OH                    +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13-3D1OOH=>C6H111-3+CH2O+OH                    +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13-3D2OOH=>C6D2Y1+CH3+OH                       +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13-3D5OOH=>C4H7CHO-2+C2H5+OH                   +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13-3D6OOH=>C5H91-3+CH3CHO+OH                   +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13-3D7OOH=>C6H113-1+CH2O+OH                    +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 24C.HOOPOOH=CETH-OOH+OH!REF
!___________________________________________________________________________________________________________ 
C7H13Q12-3<=>C7H13O13-2OOH+OH                     +9.51000000E+011 +0.00000000E+000 +1.63310000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q12-3<=>C7H13O23-1OOH+OH                     4.44E+09    0.916    9389!+1.78000000E+012 +0.00000000E+000 +1.27020000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q12-4<=>C7H13O14-2OOH+OH                     +2.77000000E+010 +0.00000000E+000 +1.05010000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q12-4<=>C7H13O24-1OOH+OH                     +6.34000000E+011 +0.00000000E+000 +1.76120000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q12-5<=>C7H13O15-2OOH+OH                     +1.04000000E+010 +0.00000000E+000 +1.11370000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q12-5<=>C7H13O25-1OOH+OH                     +4.81000000E+007 +0.94000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q12-6<=>C7H13O26-1OOH+OH                     +1.04000000E+010 +0.00000000E+000 +1.11290000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q13-2<=>C7H13O12-3OOH+OH                     +3.55000000E+012 +0.00000000E+000 +1.07140000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q13-2<=>C7H13O23-1OOH+OH                     4.44E+09    0.916    9389!+1.78000000E+012 +0.00000000E+000 +1.27020000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q13-4<=>C7H13O14-3OOH+OH                     +2.77000000E+010 +0.00000000E+000 +1.00680000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q13-4<=>C7H13O34-1OOH+OH                     4.44E+09    0.916    9389!+1.78000000E+012 +0.00000000E+000 +1.27020000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q13-5<=>C7H13O15-3OOH+OH                     +1.04000000E+010 +0.00000000E+000 +1.11370000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q13-5<=>C7H13O35-1OOH+OH                     +6.34000000E+011 +0.00000000E+000 +1.76120000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q13-6<=>C7H13O25-7OOH+OH                     +4.81000000E+007 +0.94000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q13-7<=>C7H13O15-7OOH+OH                     +1.04000000E+010 +0.00000000E+000 +1.19080000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q14-2<=>C7H13O12-4OOH+OH                     +3.55000000E+012 +0.00000000E+000 +1.07140000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q14-2<=>C7H13O24-1OOH+OH                     +6.34000000E+011 +0.00000000E+000 +1.73230000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q14-3<=>C7H13O13-4OOH+OH                     +9.51000000E+011 +0.00000000E+000 +1.63310000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q14-3<=>C7H13O34-1OOH+OH                     4.44E+09    0.916    9389!+1.78000000E+012 +0.00000000E+000 +1.27020000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q14-5<=>C7H13O15-4OOH+OH                     +1.04000000E+010 +0.00000000E+000 +1.08250000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q14-5<=>C7H13O34-7OOH+OH                     4.44E+09    0.916    9389!+1.78000000E+012 +0.00000000E+000 +1.27020000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q14-6<=>C7H13O24-7OOH+OH                     +6.34000000E+011 +0.00000000E+000 +1.76120000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q14-7<=>C7H13O14-7OOH+OH                     +2.77000000E+010 +0.00000000E+000 +1.15730000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q15-2<=>C7H13O12-5OOH+OH                     +3.55000000E+012 +0.00000000E+000 +1.07140000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q15-2<=>C7H13O25-1OOH+OH                     +4.81000000E+007 +0.94000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q15-3<=>C7H13O13-5OOH+OH                     +9.51000000E+011 +0.00000000E+000 +1.66200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q15-3<=>C7H13O35-1OOH+OH                     +6.34000000E+011 +0.00000000E+000 +1.76120000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q15-4<=>C7H13O14-5OOH+OH                     +2.77000000E+010 +0.00000000E+000 +1.00680000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q15-4<=>C7H13O34-7OOH+OH                     4.44E+09    0.916    9389!+1.78000000E+012 +0.00000000E+000 +1.27020000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q15-6<=>C7H13O23-7OOH+OH                     4.44E+09    0.916    9389!+1.78000000E+012 +0.00000000E+000 +1.27020000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q15-7<=>C7H13O13-7OOH+OH                     +6.34000000E+011 +0.00000000E+000 +1.73340000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q23-1<=>C7H13O12-3OOH+OH                     +3.55000000E+012 +0.00000000E+000 +1.23720000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q23-1<=>C7H13O13-2OOH+OH                     +6.34000000E+011 +0.00000000E+000 +1.73720000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q23-4<=>C7H13O24-3OOH+OH                     +6.34000000E+011 +0.00000000E+000 +1.73230000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q23-4<=>C7H13O34-2OOH+OH                     4.44E+09    0.916    9389!+1.78000000E+012 +0.00000000E+000 +1.27020000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q23-5<=>C7H13O25-3OOH+OH                     +4.81000000E+007 +0.94000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q23-5<=>C7H13O35-2OOH+OH                     +6.34000000E+011 +0.00000000E+000 +1.76120000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q23-6<=>C7H13O26-3OOH+OH                     +1.04000000E+010 +0.00000000E+000 +1.11290000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q23-6<=>C7H13O25-6OOH+OH                     +4.81000000E+007 +0.94000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q23-7<=>C7H13O15-6OOH+OH                     +1.04000000E+010 +0.00000000E+000 +1.19080000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q24-1<=>C7H13O12-4OOH+OH                     +3.55000000E+012 +0.00000000E+000 +1.23720000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q24-1<=>C7H13O14-2OOH+OH                     +2.77000000E+010 +0.00000000E+000 +1.16300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q24-3<=>C7H13O23-4OOH+OH                     4.44E+09    0.916    9389!+1.78000000E+012 +0.00000000E+000 +1.27020000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q24-3<=>C7H13O34-2OOH+OH                     4.44E+09    0.916    9389!+1.78000000E+012 +0.00000000E+000 +1.27020000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q24-5<=>C7H13O25-4OOH+OH                     +4.81000000E+007 +0.94000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q24-5<=>C7H13O34-6OOH+OH                     4.44E+09    0.916    9389!+1.78000000E+012 +0.00000000E+000 +1.27020000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q24-6<=>C7H13O26-4OOH+OH                     +1.04000000E+010 +0.00000000E+000 +1.11290000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q24-6<=>C7H13O24-6OOH+OH                     +6.34000000E+011 +0.00000000E+000 +1.76120000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q24-7<=>C7H13O14-6OOH+OH                     +2.77000000E+010 +0.00000000E+000 +1.15730000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q25-1<=>C7H13O12-5OOH+OH                     +3.55000000E+012 +0.00000000E+000 +1.23720000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q25-1<=>C7H13O15-2OOH+OH                     +1.04000000E+010 +0.00000000E+000 +1.19490000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q25-3<=>C7H13O23-5OOH+OH                     4.44E+09    0.916    9389!+1.78000000E+012 +0.00000000E+000 +1.27020000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q25-3<=>C7H13O35-2OOH+OH                     +6.34000000E+011 +0.00000000E+000 +1.73230000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q25-4<=>C7H13O24-5OOH+OH                     +6.34000000E+011 +0.00000000E+000 +1.73230000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q25-4<=>C7H13O34-6OOH+OH                     4.44E+09    0.916    9389!+1.78000000E+012 +0.00000000E+000 +1.27020000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q25-6<=>C7H13O26-3OOH+OH                     +1.04000000E+010 +0.00000000E+000 +1.08170000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q25-6<=>C7H13O23-6OOH+OH                     4.44E+09    0.916    9389!+1.78000000E+012 +0.00000000E+000 +1.27020000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q25-7<=>C7H13O13-6OOH+OH                     +6.34000000E+011 +0.00000000E+000 +1.73340000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q26-1<=>C7H13O12-6OOH+OH                     +3.55000000E+012 +0.00000000E+000 +1.23720000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q26-3<=>C7H13O23-6OOH+OH                     4.44E+09    0.916    9389!+1.78000000E+012 +0.00000000E+000 +1.27020000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q26-3<=>C7H13O25-6OOH+OH                     +4.81000000E+007 +0.94000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q26-4<=>C7H13O24-6OOH+OH                     +6.34000000E+011 +0.00000000E+000 +1.76120000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q34-1<=>C7H13O13-4OOH+OH                     +6.34000000E+011 +0.00000000E+000 +1.73340000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q34-1<=>C7H13O14-3OOH+OH                     +2.77000000E+010 +0.00000000E+000 +1.15730000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q34-2<=>C7H13O23-4OOH+OH                     4.44E+09    0.916    9389!+1.78000000E+012 +0.00000000E+000 +1.27020000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q34-2<=>C7H13O24-3OOH+OH                     +6.34000000E+011 +0.00000000E+000 +1.76120000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q34-5<=>C7H13O35-4OOH+OH                     +6.34000000E+011 +0.00000000E+000 +1.76120000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q34-5<=>C7H13O34-5OOH+OH                     4.44E+09    0.916    9389!+1.78000000E+012 +0.00000000E+000 +1.27020000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q34-6<=>C7H13O25-4OOH+OH                     +4.81000000E+007 +0.94000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q34-6<=>C7H13O24-5OOH+OH                     +6.34000000E+011 +0.00000000E+000 +1.76120000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q34-7<=>C7H13O15-4OOH+OH                     +1.04000000E+010 +0.00000000E+000 +1.19080000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q34-7<=>C7H13O14-5OOH+OH                     +2.77000000E+010 +0.00000000E+000 +1.15730000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q35-1<=>C7H13O13-5OOH+OH                     +6.34000000E+011 +0.00000000E+000 +1.73340000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q35-1<=>C7H13O15-3OOH+OH                     +1.04000000E+010 +0.00000000E+000 +1.19080000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q35-2<=>C7H13O23-5OOH+OH                     4.44E+09    0.916    9389!+1.78000000E+012 +0.00000000E+000 +1.27020000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
C7H13Q35-2<=>C7H13O25-3OOH+OH                     +4.81000000E+007 +0.94000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13Q35-4<=>C7H13O34-5OOH+OH                     +3.55000000E+012 +0.00000000E+000 +1.17020000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 24D.CETH-OOH_DECOMPOSITION!REF
!___________________________________________________________________________________________________________ 
C7H13O12-3OOH=>CH2CHO+PC4H9CHO+OH                 +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O12-4OOH=>C3H5O+NC3H7CHO+OH                  +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O12-5OOH=>C4H7O12-4+C2H5CHO+OH               +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O12-6OOH=>C5H9O12-5+CH3CHO+OH                +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O13-2OOH=>CH2CHO+PC4H9CHO+OH                 +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O13-4OOH=>CH2CH2CHO+NC3H7CHO+OH              +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O13-5OOH=>C4H7O13-4+C2H5CHO+OH               +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O13-6OOH=>C5H9O13-5+CH3CHO+OH                +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O13-7OOH=>C6H11O13-6+CH2O+OH                 +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O14-2OOH=>CH2O+NC5H10CHO-2+OH                +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O14-3OOH=>CH2CH2CHO+NC3H7CHO+OH              +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O14-5OOH=>C3H6CHO-3+C2H5CHO+OH               +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: !ABS_C3H6CHO-1 / C3H6CHO-3 !\Comment: WARNING 
C7H13O14-6OOH=>C5H9O14-5+CH3CHO+OH                +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O14-7OOH=>C6H11O14-6+CH2O+OH                 +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O15-2OOH=>CH2O+NC5H10CHO-3+OH                +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O15-3OOH=>C4H8-1+OCHCH2CH2O+OH               +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O15-4OOH=>C3H6CHO-3+C2H5CHO+OH               +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: !ABS_C3H6CHO-1 / C3H6CHO-3 !\Comment: WARNING 
C7H13O15-6OOH=>PC4H8CHO-4+CH3CHO+OH               +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O15-7OOH=>C6H11O15-6+CH2O+OH                 +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O23-1OOH=>CH2O+NC5H10CHO-1+OH                +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O23-4OOH=>CH3CHCHO+NC3H7CHO+OH               +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O23-5OOH=>C4H7O23-1+C2H5CHO+OH               +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O23-6OOH=>C5H9O23-5+CH3CHO+OH                +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O23-7OOH=>C6H11O23-6+CH2O+OH                 +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O24-1OOH=>CH2O+NC5H10CHO-2+OH                +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O24-3OOH=>CH3CHCHO+NC3H7CHO+OH               +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O24-5OOH=>C3H6CHO-2+C2H5CHO+OH               +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O24-6OOH=>C5H9O24-1+CH3CHO+OH                +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O24-7OOH=>C6H11O24-6+CH2O+OH                 +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O25-1OOH=>CH2O+NC5H10CHO-3+OH                +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O25-3OOH=>CH3CHO+PC4H8CHO-2+OH               +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O25-4OOH=>C3H6CHO-2+C2H5CHO+OH               +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O25-6OOH=>PC4H8CHO-3+CH3CHO+OH               +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O25-7OOH=>C6H11-1D5O+CH2O+OH                 +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O26-1OOH=>CH2O+NC5H10CHO-4+OH                +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O26-3OOH=>CH3CHO+PC4H8CHO-3+OH               +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O26-4OOH=>C3H6+C4Y1-3OR+OH                   +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O34-1OOH=>C6H11O23-1+CH2O+OH                 +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O34-2OOH=>CH3CHO+PC4H8CHO-1+OH               +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O34-5OOH=>C3H6CHO-1+C2H5CHO+OH               +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: !ABS_C3H6CHO-1 / C3H6CHO-3 !\Comment: WARNING 
C7H13O34-6OOH=>C5H9O23-1+CH3CHO+OH                +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O34-7OOH=>C6H11O34-1+CH2O+OH                 +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O35-1OOH=>CH2O+C6H11O24-1+OH                 +1.50000000E+016 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O35-2OOH=>CH3CHO+PC4H8CHO-2+OH               +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13O35-4OOH=>C2H5CHO+C3H6CHO-3+OH               +1.05000000E+016 +0.00000000E+000 +4.16000000E+004 !\Author: WARNING !\Ref: !ABS_C3H6CHO-1 / C3H6CHO-3 !\Comment: WARNING 
!
!DONG 0423
C6H11O13-6=>C3H6CHO-2+C2H4                             3.13E+19   -1.900   10670 !WAGNON1@LLNL.GOV! ADDED TO DECOMPOSE C6H11O13-6, AS ERO DECOMPOSITION RULE FROM ZHANG NC7
C6H11O14-6=>C3H6CHO-1+C2H4                             3.13E+19   -1.900   10670 !WAGNON1@LLNL.GOV! ADDED TO DECOMPOSE C6H11O14-6, AS ERO DECOMPOSITION RULE FROM ZHANG NC7
C6H11O15-6=>CH2O+C5H91-5                               3.13E+19   -1.900   10670 !WAGNON1@LLNL.GOV! ADDED TO DECOMPOSE C6H11O15-6, AS ERO DECOMPOSITION RULE FROM ZHANG NC7
C6H11O23-1=>C2H3CHO+NC3H7                              3.13E+19   -1.900   10670 !WAGNON1@LLNL.GOV! ADDED TO DECOMPOSE C6H11O23-1, AS ERO DECOMPOSITION RULE FROM ZHANG NC7
C6H11O23-6=>C4H7O23-1+C2H4                             3.13E+19   -1.900   10670 !WAGNON1@LLNL.GOV! ADDED TO DECOMPOSE C6H11O23-6, AS ERO DECOMPOSITION RULE FROM ZHANG NC7
C6H11O24-1=>C2H5CHO+C3H5-A                             3.13E+19   -1.900   10670 !WAGNON1@LLNL.GOV! ADDED TO DECOMPOSE C6H11O24-1, AS ERO DECOMPOSITION RULE FROM ZHANG NC7
C6H11O24-6=>C3H6CHO-2+C2H4                             3.13E+19   -1.900   10670 !WAGNON1@LLNL.GOV! ADDED TO DECOMPOSE C6H11O24-6, AS ERO DECOMPOSITION RULE FROM ZHANG NC7
C6H11O34-1=>C3H6CHO-3+C2H4                             3.13E+19   -1.900   10670 !WAGNON1@LLNL.GOV! ADDED TO DECOMPOSE C6H11O34-1, AS ERO DECOMPOSITION RULE FROM ZHANG NC7

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 25.CETH_DECOMPOSTION!REF
!___________________________________________________________________________________________________________ 
C7H14O1-2+OH=>CH2CO+C5H11-1+H2O                   +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: 5.500E+12 0.0000 0.0 !\Comment: WARNING 
C7H14O1-2+OH=>C2H3CHO+PC4H9+H2O                   +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: 5.500E+12 0.0000 0.0 !\Comment: WARNING 
C7H14O1-3+OH=>C2H4+PC4H9CO+H2O                    +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: 5.500E+12 0.0000 0.0 !\Comment: WARNING 
C7H14O1-3+OH=>HCO+C6H12-1+H2O                     +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: 5.500E+12 0.0000 0.0 !\Comment: WARNING 
C7H14O1-4+OH=>NC3H7COCH2+C2H4+H2O                 +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: 5.500E+12 0.0000 0.0 !\Comment: WARNING 
C7H14O1-4+OH=>CH2CHO+C5H10-1+H2O                  +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: 5.500E+12 0.0000 0.0 !\Comment: WARNING 
C7H14O1-5+OH=>CH2CH2CHO+C4H8-1+H2O                +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: 5.500E+12 0.0000 0.0 !\Comment: WARNING 
C7H14O1-5+OH=>CH2CH2COC2H5+C2H4+H2O               +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: 5.500E+12 0.0000 0.0 !\Comment: WARNING 
C7H14O2-3+OH=>C2H3COCH3+NC3H7+H2O                 +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: 5.500E+12 0.0000 0.0 !\Comment: WARNING 
C7H14O2-3+OH=>PC4H9CO+C2H4+H2O                    +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: 5.500E+12 0.0000 0.0 !\Comment: WARNING 
C7H14O2-4+OH=>C3H6+NC3H7CO+H2O                    +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: 5.500E+12 0.0000 0.0 !\Comment: WARNING 
C7H14O2-4+OH=>CH3CO+C5H10-1+H2O                   +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: 5.500E+12 0.0000 0.0 !\Comment: WARNING 
C7H14O2-5+OH=>C2H5COCH2+C3H6+H2O                  +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: 5.500E+12 0.0000 0.0 !\Comment: WARNING 
C7H14O2-5+OH=>CH3COCH2+C4H8-1+H2O                 +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: 5.500E+12 0.0000 0.0 !\Comment: WARNING 
C7H14O2-6+OH=>C3H6+CH2CH2COCH3+H2O                +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: 5.500E+12 0.0000 0.0 !\Comment: WARNING 
C7H14O3-4+OH=>C2H5+NC53ONE-1+H2O                  +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: 5.500E+12 0.0000 0.0 !\Comment: WARNING 
C7H14O3-4+OH=>C2H5CHCO+NC3H7+H2O                  +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: 5.500E+12 0.0000 0.0 !\Comment: WARNING 
C7H14O3-5+OH=>C2H5CO+C4H8-1+H2O                   +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: 5.500E+12 0.0000 0.0 !\Comment: WARNING 
C7H14O1-2+HO2=>CH2CO+C5H11-1+H2O2                 +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14O1-2+HO2=>C2H3CHO+PC4H9+H2O2                 +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14O1-3+HO2=>C2H4+PC4H9CO+H2O2                  +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14O1-3+HO2=>HCO+C6H12-1+H2O2                   +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14O1-4+HO2=>NC3H7COCH2+C2H4+H2O2               +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14O1-4+HO2=>CH2CHO+C5H10-1+H2O2                +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14O1-5+HO2=>CH2CH2CHO+C4H8-1+H2O2              +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14O1-5+HO2=>CH2CH2COC2H5+C2H4+H2O2             +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14O2-3+HO2=>C2H3COCH3+NC3H7+H2O2               +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14O2-3+HO2=>PC4H9CO+C2H4+H2O2                  +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14O2-4+HO2=>C3H6+NC3H7CO+H2O2                  +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14O2-4+HO2=>CH3CO+C5H10-1+H2O2                 +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14O2-5+HO2=>C2H5COCH2+C3H6+H2O2                +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14O2-5+HO2=>CH3COCH2+C4H8-1+H2O2               +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14O2-6+HO2=>C3H6+CH2CH2COCH3+H2O2              +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14O3-4+HO2=>C2H5+NC53ONE-1+H2O2                +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14O3-4+HO2=>C2H5CHCO+NC3H7+H2O2                +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14O3-5+HO2=>C2H5CO+C4H8-1+H2O2                 +5.00000000E+012 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: X1.DIONE_FORMATION!REF
!___________________________________________________________________________________________________________ 
C7KET24=>H2O+C7Y24                                +1.28000000E+007 +2.25000000E+000 +4.49500000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7KET13=>H2O+C7Y13                                +1.28000000E+007 +2.25000000E+000 +4.49500000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7KET42=>H2O+C7Y24                                +1.28000000E+007 +2.25000000E+000 +4.49500000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7KET35=>H2O+C7Y35                                +1.28000000E+007 +2.25000000E+000 +4.49500000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7KET24O=>C7Y24+H                                 +2.43000000E+009 +1.42000000E+000 +1.93800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
C7KET24O=>C7Y24+H                                 +7.49200000E+001 +3.49000000E+000 +1.98000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
C7KET13O=>C7Y13+H                                 +2.43000000E+009 +1.42000000E+000 +1.93800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
C7KET13O=>C7Y13+H                                 +7.49200000E+001 +3.49000000E+000 +1.98000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
C7KET42O=>C7Y24+H                                 +2.43000000E+009 +1.42000000E+000 +1.93800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
C7KET42O=>C7Y24+H                                 +7.49200000E+001 +3.49000000E+000 +1.98000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
C7KET35O=>C7Y35+H                                 +2.43000000E+009 +1.42000000E+000 +1.93800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
C7KET35O=>C7Y35+H                                 +7.49200000E+001 +3.49000000E+000 +1.98000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
C7KET24O+O2=>C7Y24+HO2                            +9.04000000E+009 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7KET13O+O2=>C7Y13+HO2                            +9.04000000E+009 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7KET42O+O2=>C7Y24+HO2                            +9.04000000E+009 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7KET35O+O2=>C7Y35+HO2                            +9.04000000E+009 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7KET24+OH=>H2O+OH+C7Y24                          +1.19000000E+010 +0.00000000E+000 +1.68000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7KET13+OH=>H2O+OH+C7Y13                          +1.19000000E+010 +0.00000000E+000 +1.68000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7KET42+OH=>H2O+OH+C7Y24                          +1.19000000E+010 +0.00000000E+000 +1.68000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7KET35+OH=>H2O+OH+C7Y35                          +1.19000000E+010 +0.00000000E+000 +1.68000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7KET13=>HOCHO+C6Y2                               +1.70000000E+005 +1.13000000E+000 +2.61000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7KET13=>CH3COOH+PC4H9CHO                         +5.10000000E+005 +1.13000000E+000 +2.61000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7KET24=>CH3COOH+NC3H7COCH3                       +1.70000000E+005 +1.13000000E+000 +2.61000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7KET35=>C2H5COOH+C2H5COCH3                       +3.40000000E+005 +1.13000000E+000 +2.61000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH3CO+PC4H9<=>C6Y2                                +2.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!
!DONG 0423
C7Y24+OH=>C2H5CHCO+CH3COCH2+H2O                        2.36E+02    3.150    3050 !WAGNON1@LLNL.GOV! ADDED TO CONSUME C7Y24, AS NC5DIONE13+OH=>CH3CHCO+CH2CHO+H2O
C7Y13+OH=>CH2CHO+CH3CHCO+C2H4+H2O                      2.36E+02    3.150    3050 !WAGNON1@LLNL.GOV! ADDED TO CONSUME C7Y13, AS NC5DIONE13+OH=>CH3CHCO+CH2CHO+H2O
C7Y35+OH=>CH3CHCO+C2H5COCH2+H2O                        2.36E+02    3.150    3050 !WAGNON1@LLNL.GOV! ADDED TO CONSUME C7Y35, AS NC5DIONE13+OH=>CH3CHCO+CH2CHO+H2O

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: X2.O2QOOH+R'=OQOOH+R'O,ETC!REF
!___________________________________________________________________________________________________________ 
C7H14OOH1-2O2+CH3=>CH3O+C7H14OOH1-2O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH1-3O2+CH3=>CH3O+C7H14OOH1-3O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH1-4O2+CH3=>CH3O+C7H14OOH1-4O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH1-5O2+CH3=>CH3O+C7H14OOH1-5O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-1O2+CH3=>CH3O+C7H14OOH2-1O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-3O2+CH3=>CH3O+C7H14OOH2-3O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-4O2+CH3=>CH3O+C7H14OOH2-4O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-5O2+CH3=>CH3O+C7H14OOH2-5O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-6O2+CH3=>CH3O+C7H14OOH2-6O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-1O2+CH3=>CH3O+C7H14OOH3-1O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-2O2+CH3=>CH3O+C7H14OOH3-2O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-4O2+CH3=>CH3O+C7H14OOH3-4O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-5O2+CH3=>CH3O+C7H14OOH3-5O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-6O2+CH3=>CH3O+C7H14OOH3-6O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-7O2+CH3=>CH3O+C7H14OOH3-7O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-1O2+CH3=>CH3O+C7H14OOH4-1O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-2O2+CH3=>CH3O+C7H14OOH4-2O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-3O2+CH3=>CH3O+C7H14OOH4-3O              +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH1-2O2+C2H5=>C2H5O+C7H14OOH1-2O            +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH1-3O2+C2H5=>C2H5O+C7H14OOH1-3O            +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH1-4O2+C2H5=>C2H5O+C7H14OOH1-4O            +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH1-5O2+C2H5=>C2H5O+C7H14OOH1-5O            +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-1O2+C2H5=>C2H5O+C7H14OOH2-1O            +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-3O2+C2H5=>C2H5O+C7H14OOH2-3O            +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-4O2+C2H5=>C2H5O+C7H14OOH2-4O            +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-5O2+C2H5=>C2H5O+C7H14OOH2-5O            +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-6O2+C2H5=>C2H5O+C7H14OOH2-6O            +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-1O2+C2H5=>C2H5O+C7H14OOH3-1O            +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-2O2+C2H5=>C2H5O+C7H14OOH3-2O            +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-4O2+C2H5=>C2H5O+C7H14OOH3-4O            +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-5O2+C2H5=>C2H5O+C7H14OOH3-5O            +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-6O2+C2H5=>C2H5O+C7H14OOH3-6O            +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-7O2+C2H5=>C2H5O+C7H14OOH3-7O            +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-1O2+C2H5=>C2H5O+C7H14OOH4-1O            +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-2O2+C2H5=>C2H5O+C7H14OOH4-2O            +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-3O2+C2H5=>C2H5O+C7H14OOH4-3O            +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH1-3O=>C3KET13+PC4H9                       +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H14OOH1-3O=>C2H4O2H+PC4H9CHO                    +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H14OOH1-4O=>NC4KET14+NC3H7                      +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H14OOH1-4O=>C3H6OOH1-3+NC3H7CHO                 +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H14OOH1-5O=>NC5KET15+C2H5                       +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H14OOH1-5O=>C4H8OOH1-4+C2H5CHO                  +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H14OOH2-3O=>CH3CHO+PC4H9CHO+OH                  +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-3O=>C3KET12+PC4H9                       +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-4O=>NC4KET13+NC3H7                      +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-4O=>C3H6OOH2-1+NC3H7CHO                 +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-5O=>NC5KET14+C2H5                       +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-5O=>C4H8OOH2-4+C2H5CHO                  +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-6O=>C6KET15+CH3                         +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C7H14OOH3-2O=>CH3CHO+PC4H9CHO+OH                  +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-2O=>C6KET12+CH3                         +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-4O=>NC4KET12+NC3H7                      +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-4O=>C2H5CHO+NC3H7CHO+OH                 +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-5O=>NC5KET13+C2H5                       +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-5O=>C4H8OOH2-1+C2H5CHO                  +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-6O=>C6KET14+CH3                         +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-6O=>C5H10OOH3-1+CH3CHO                  +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-7O=>C6H12OOH3-6+CH2O                    +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-1O=>C6H12OOH3-1+CH2O                    +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-2O=>C6KET13+CH3                         +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-2O=>CH3CHO+C5H10OOH2-1                  +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-3O=>NC5KET12+C2H5                       +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-3O=>C2H5CHO+NC3H7CHO+OH                 +2.90000000E+012 +4.00000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH1-2O2+C7H15-1=>C7H15-1O+C7H14OOH1-2O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH1-3O2+C7H15-1=>C7H15-1O+C7H14OOH1-3O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH1-4O2+C7H15-1=>C7H15-1O+C7H14OOH1-4O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH1-5O2+C7H15-1=>C7H15-1O+C7H14OOH1-5O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-1O2+C7H15-1=>C7H15-1O+C7H14OOH2-1O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-3O2+C7H15-1=>C7H15-1O+C7H14OOH2-3O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-4O2+C7H15-1=>C7H15-1O+C7H14OOH2-4O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-5O2+C7H15-1=>C7H15-1O+C7H14OOH2-5O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-6O2+C7H15-1=>C7H15-1O+C7H14OOH2-6O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-1O2+C7H15-1=>C7H15-1O+C7H14OOH3-1O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-2O2+C7H15-1=>C7H15-1O+C7H14OOH3-2O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-4O2+C7H15-1=>C7H15-1O+C7H14OOH3-4O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-5O2+C7H15-1=>C7H15-1O+C7H14OOH3-5O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-6O2+C7H15-1=>C7H15-1O+C7H14OOH3-6O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-7O2+C7H15-1=>C7H15-1O+C7H14OOH3-7O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-1O2+C7H15-1=>C7H15-1O+C7H14OOH4-1O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-2O2+C7H15-1=>C7H15-1O+C7H14OOH4-2O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-3O2+C7H15-1=>C7H15-1O+C7H14OOH4-3O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH1-2O2+C7H15-2=>C7H15-2O+C7H14OOH1-2O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH1-3O2+C7H15-2=>C7H15-2O+C7H14OOH1-3O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH1-4O2+C7H15-2=>C7H15-2O+C7H14OOH1-4O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH1-5O2+C7H15-2=>C7H15-2O+C7H14OOH1-5O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-1O2+C7H15-2=>C7H15-2O+C7H14OOH2-1O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-3O2+C7H15-2=>C7H15-2O+C7H14OOH2-3O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-4O2+C7H15-2=>C7H15-2O+C7H14OOH2-4O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-5O2+C7H15-2=>C7H15-2O+C7H14OOH2-5O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH2-6O2+C7H15-2=>C7H15-2O+C7H14OOH2-6O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-1O2+C7H15-2=>C7H15-2O+C7H14OOH3-1O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-2O2+C7H15-2=>C7H15-2O+C7H14OOH3-2O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-4O2+C7H15-2=>C7H15-2O+C7H14OOH3-4O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-5O2+C7H15-2=>C7H15-2O+C7H14OOH3-5O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-6O2+C7H15-2=>C7H15-2O+C7H14OOH3-6O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
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C7H14OOH3-4O2+C7H15-4=>C7H15-4O+C7H14OOH3-4O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-5O2+C7H15-4=>C7H15-4O+C7H14OOH3-5O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-6O2+C7H15-4=>C7H15-4O+C7H14OOH3-6O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH3-7O2+C7H15-4=>C7H15-4O+C7H14OOH3-7O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-1O2+C7H15-4=>C7H15-4O+C7H14OOH4-1O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-2O2+C7H15-4=>C7H15-4O+C7H14OOH4-2O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14OOH4-3O2+C7H15-4=>C7H15-4O+C7H14OOH4-3O      +9.00000000E+012 +0.00000000E+000 -1.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH2CO+PC4H9<=>C6Y2-1J                             +1.76000000E+004 +2.48000000E+000 +6.13000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6Y3-6J<=>C2H5COCH2+C2H4                          +2.34000000E+017 -1.12300000E+000 +3.11760000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6Y3-1J<=>NC3H7CO+C2H4                            +1.00000000E+014 +0.00000000E+000 +1.80000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: NC7H16
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C7H14-1C7H14-2\C7H14-3
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 6.E_H_ABSTRACTION!REF
!___________________________________________________________________________________________________________ 
C7H14-2+H<=>C7H131-3+H2                           +1.73000000E+005 +2.50000000E+000 +2.49200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+H<=>C7H132-4+H2                           +3.38000000E+005 +2.40000000E+000 +2.07000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+H<=>C7H132-5+H2                           +1.30000000E+006 +2.40000000E+000 +4.47100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+H<=>C7H132-6+H2                           +1.30000000E+006 +2.40000000E+000 +4.47100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+H<=>C7H132-7+H2                           +6.65000000E+005 +2.50000000E+000 +6.75600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+O<=>C7H131-3+OH                           +4.41000000E+005 +2.40000000E+000 +3.15000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+O<=>C7H132-4+OH                           +6.60000000E+005 +2.40000000E+000 +1.21000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+O<=>C7H132-5+OH                           +5.51000000E+005 +2.50000000E+000 +2.83000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+O<=>C7H132-6+OH                           +5.51000000E+005 +2.50000000E+000 +2.83000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+O<=>C7H132-7+OH                           +9.80000000E+005 +2.40000000E+000 +4.75000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+OH<=>C7H131-3+H2O                         +3.12000000E+006 +2.00000000E+000 -2.98000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+OH<=>C7H132-4+H2O                         +2.76000000E+004 +2.60000000E+000 -1.91900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+OH<=>C7H132-5+H2O                         +4.67000000E+007 +1.60000000E+000 -3.50000000E+001 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+OH<=>C7H132-6+H2O                         +4.67000000E+007 +1.60000000E+000 -3.50000000E+001 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+OH<=>C7H132-7+H2O                         +5.27000000E+009 +1.00000000E+000 +1.58600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+O2<=>C7H131-3+HO2                         +3.30000000E+012 +0.00000000E+000 +3.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+O2<=>C7H132-4+HO2                         +2.20000000E+012 +0.00000000E+000 +3.72200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+O2<=>C7H132-5+HO2                         +2.00000000E+013 +0.00000000E+000 +4.96400000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+O2<=>C7H132-6+HO2                         +2.00000000E+013 +0.00000000E+000 +4.96400000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+O2<=>C7H132-7+HO2                         +3.00000000E+013 +0.00000000E+000 +5.22900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+HO2<=>C7H131-3+H2O2                       +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+HO2<=>C7H132-4+H2O2                       +4.82000000E+003 +2.50000000E+000 +1.05300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+HO2<=>C7H132-5+H2O2                       +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+HO2<=>C7H132-6+H2O2                       +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+HO2<=>C7H132-7+H2O2                       +2.38000000E+004 +2.50000000E+000 +1.64900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+CH3<=>C7H131-3+CH4                        +2.21000000E+000 +3.50000000E+000 +5.67500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+CH3<=>C7H132-4+CH4                        +3.69000000E+000 +3.30000000E+000 +4.00200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+CH3<=>C7H132-5+CH4                        +1.51000000E+000 +3.50000000E+000 +5.48100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+CH3<=>C7H132-6+CH4                        +1.51000000E+000 +3.50000000E+000 +5.48100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+CH3<=>C7H132-7+CH4                        +4.52000000E-001 +3.60000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+CH3O<=>C7H131-3+CH3OH                     +9.00000000E+001 +3.00000000E+000 +1.19900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+CH3O<=>C7H132-4+CH3OH                     +4.00000000E+001 +2.90000000E+000 +8.60900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+CH3O<=>C7H132-5+CH3OH                     +1.45000000E+011 +0.00000000E+000 +4.57100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+CH3O<=>C7H132-6+CH3OH                     +1.45000000E+011 +0.00000000E+000 +4.57100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+CH3O<=>C7H132-7+CH3OH                     +2.17000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+CH3O2<=>C7H131-3+CH3O2H                   +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+CH3O2<=>C7H132-4+CH3O2H                   +4.82000000E+003 +2.50000000E+000 +1.05300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+CH3O2<=>C7H132-5+CH3O2H                   +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+CH3O2<=>C7H132-6+CH3O2H                   +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+CH3O2<=>C7H132-7+CH3O2H                   +2.38000000E+004 +2.50000000E+000 +1.64900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+H<=>C7H133-1+H2                           +6.65000000E+005 +2.50000000E+000 +6.75600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+H<=>C7H132-4+H2                           +3.38000000E+005 +2.40000000E+000 +2.07000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+H<=>C7H133-5+H2                           +3.38000000E+005 +2.40000000E+000 +2.07000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+H<=>C7H133-6+H2                           +1.30000000E+006 +2.40000000E+000 +4.47100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+H<=>C7H133-7+H2                           +6.65000000E+005 +2.50000000E+000 +6.75600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+O<=>C7H133-1+OH                           +9.80000000E+005 +2.40000000E+000 +4.75000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+O<=>C7H132-4+OH                           +6.60000000E+005 +2.40000000E+000 +1.21000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+O<=>C7H133-5+OH                           +6.60000000E+005 +2.40000000E+000 +1.21000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+O<=>C7H133-6+OH                           +5.51000000E+005 +2.50000000E+000 +2.83000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+O<=>C7H133-7+OH                           +9.80000000E+005 +2.40000000E+000 +4.75000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+OH<=>C7H133-1+H2O                         +5.27000000E+009 +1.00000000E+000 +1.58600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+OH<=>C7H132-4+H2O                         +2.76000000E+004 +2.60000000E+000 -1.91900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+OH<=>C7H133-5+H2O                         +2.76000000E+004 +2.60000000E+000 -1.91900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+OH<=>C7H133-6+H2O                         +4.67000000E+007 +1.60000000E+000 -3.50000000E+001 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+OH<=>C7H133-7+H2O                         +5.27000000E+009 +1.00000000E+000 +1.58600000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+O2<=>C7H133-1+HO2                         +3.00000000E+013 +0.00000000E+000 +5.22900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+O2<=>C7H132-4+HO2                         +2.20000000E+012 +0.00000000E+000 +3.72200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+O2<=>C7H133-5+HO2                         +2.20000000E+012 +0.00000000E+000 +3.72200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+O2<=>C7H133-6+HO2                         +2.00000000E+013 +0.00000000E+000 +4.96400000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+O2<=>C7H133-7+HO2                         +3.00000000E+013 +0.00000000E+000 +5.22900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+HO2<=>C7H133-1+H2O2                       +2.38000000E+004 +2.50000000E+000 +1.64900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+HO2<=>C7H132-4+H2O2                       +4.82000000E+003 +2.50000000E+000 +1.05300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+HO2<=>C7H133-5+H2O2                       +4.82000000E+003 +2.50000000E+000 +1.05300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+HO2<=>C7H133-6+H2O2                       +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+HO2<=>C7H133-7+H2O2                       +2.38000000E+004 +2.50000000E+000 +1.64900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+CH3<=>C7H133-1+CH4                        +4.52000000E-001 +3.60000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+CH3<=>C7H132-4+CH4                        +3.69000000E+000 +3.30000000E+000 +4.00200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+CH3<=>C7H133-5+CH4                        +3.69000000E+000 +3.30000000E+000 +4.00200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+CH3<=>C7H133-6+CH4                        +1.51000000E+000 +3.50000000E+000 +5.48100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+CH3<=>C7H133-7+CH4                        +4.52000000E-001 +3.60000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+CH3O<=>C7H133-1+CH3OH                     +2.17000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+CH3O<=>C7H132-4+CH3OH                     +4.00000000E+001 +2.90000000E+000 +8.60900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+CH3O<=>C7H133-5+CH3OH                     +4.00000000E+001 +2.90000000E+000 +8.60900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+CH3O<=>C7H133-6+CH3OH                     +1.45000000E+011 +0.00000000E+000 +4.57100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+CH3O<=>C7H133-7+CH3OH                     +2.17000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+CH3O2<=>C7H133-1+CH3O2H                   +2.38000000E+004 +2.50000000E+000 +1.64900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+CH3O2<=>C7H132-4+CH3O2H                   +4.82000000E+003 +2.50000000E+000 +1.05300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+CH3O2<=>C7H133-5+CH3O2H                   +4.82000000E+003 +2.50000000E+000 +1.05300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+CH3O2<=>C7H133-6+CH3O2H                   +9.64000000E+003 +2.60000000E+000 +1.39100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+CH3O2<=>C7H133-7+CH3O2H                   +2.38000000E+004 +2.50000000E+000 +1.64900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C7H14-1+CH3<=>C7H131-1+CH4                        +1.35000000E+000 +3.50000000E+000 +1.28500000E+004 !\Author: SD !\Ref: ANALOGY WITH C3H6+CH3 !\Comment: WARNING 
C7H14-1+CH3<=>C7H131-2+CH4                        +8.40000000E-001 +3.50000000E+000 +1.16600000E+004 !\Author: SD !\Ref: ANALOGY WITH C3H6+CH3 !\Comment: WARNING 
C7H14-1+CH3<=>C7H131-3+CH4                        +1.69400000E+002 +3.12000000E+000 +5.78000000E+003 !\Author: SD !\Ref: WANG, KUN, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.9(2015) !\Comment: WARNING 
C7H14-1+CH3<=>C7H131-4+CH4                        +8.40000000E+004 +2.13300000E+000 +7.57400000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE ! !\Comment: WARNING 
C7H14-1+CH3<=>C7H131-5+CH4                        +8.40000000E+004 +2.13300000E+000 +7.57400000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE ! !\Comment: WARNING 
C7H14-1+CH3<=>C7H131-6+CH4                        +8.40000000E+004 +2.13300000E+000 +7.57400000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE ! !\Comment: WARNING 
C7H14-1+CH3<=>C7H131-7+CH4                        +4.52000000E-001 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: W. TSANG, J. PHYS. CHEM. REF. DATA, 17, 1988, 887-951 !\Comment: WARNING 
C7H14-1+CH3O<=>C7H131-3+CH3OH                     +4.00000000E+001 +2.90000000E+000 +8.60900000E+003 !\Author: WARNING !\Ref: IN ARAMCO(TSANG '91) !\Comment: WARNING 
C7H14-1+CH3O<=>C7H131-4+CH3OH                     +1.45000000E+011 +0.00000000E+000 +4.57100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-1+CH3O<=>C7H131-5+CH3OH                     +1.45000000E+011 +0.00000000E+000 +4.57100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-1+CH3O<=>C7H131-6+CH3OH                     +1.45000000E+011 +0.00000000E+000 +4.57100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-1+CH3O<=>C7H131-7+CH3OH                     +2.17000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: WARNING !\Ref: IN ARAMCO(TSANG '91) !\Comment: WARNING 
C7H14-1+CH3O2<=>C7H131-3+CH3O2H                   +3.91000000E-001 +3.97000000E+000 +1.37020000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C7H14-1+CH3O2<=>C7H131-4+CH3O2H                   +6.32000000E+001 +3.37000000E+000 +1.57200000E+004 !\Author: WARNING !\Ref: J. AGUILERA-IPARRAGUIRRE, H. J. CURRAN, W. KLOPPER, J. M. SIMMIE, J. PHYS. CHEM. A, 112, 2008, 7047-7054 !\Comment: WARNING 
C7H14-1+CH3O2<=>C7H131-5+CH3O2H                   +6.32000000E+001 +3.37000000E+000 +1.57200000E+004 !\Author: WARNING !\Ref: J. AGUILERA-IPARRAGUIRRE, H. J. CURRAN, W. KLOPPER, J. M. SIMMIE, J. PHYS. CHEM. A, 112, 2008, 7047-7054 !\Comment: WARNING 
C7H14-1+CH3O2<=>C7H131-6+CH3O2H                   +6.32000000E+001 +3.37000000E+000 +1.57200000E+004 !\Author: WARNING !\Ref: J. AGUILERA-IPARRAGUIRRE, H. J. CURRAN, W. KLOPPER, J. M. SIMMIE, J. PHYS. CHEM. A, 112, 2008, 7047-7054 !\Comment: WARNING 
C7H14-1+CH3O2<=>C7H131-7+CH3O2H                   +2.04000000E+001 +3.59000000E+000 +1.91600000E+004 !\Author: WARNING !\Ref: J. AGUILERA-IPARRAGUIRRE, H. J. CURRAN, W. KLOPPER, J. M. SIMMIE, J. PHYS. CHEM. A, 112, 2008, 7047-7054 !\Comment: WARNING 
C7H14-1+H<=>C7H131-1+H2                           +7.29100000E+005 +2.47300000E+000 +1.28670000E+004 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C7H14-1+H<=>C7H131-2+H2                           +4.81200000E+006 +2.16500000E+000 +9.67858000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C7H14-1+H<=>C7H131-3+H2                           +4.53300000E+005 +2.48700000E+000 +2.48324000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C7H14-1+H<=>C7H131-4+H2                           +6.55700000E+005 +2.46200000E+000 +4.67850000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C7H14-1+H<=>C7H131-5+H2                           +6.55700000E+005 +2.46200000E+000 +4.67850000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C7H14-1+H<=>C7H131-6+H2                           +6.55700000E+005 +2.46200000E+000 +4.67850000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C7H14-1+H<=>C7H131-7+H2                           +5.52400000E+004 +2.80900000E+000 +6.78265000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C7H14-1+HO2<=>C7H131-1+H2O2                       +9.57000000E+002 +3.05900000E+000 +2.07986000E+004 !\Author: SD !\Ref: ANALOGY WITH C3H6+HO2 !\Comment: WARNING 
C7H14-1+HO2<=>C7H131-2+H2O2                       +1.56000000E+004 +2.82000000E+000 +2.44279000E+004 !\Author: SD !\Ref: ANALOGY WITH C3H6+HO2 !\Comment: WARNING 
C7H14-1+HO2<=>C7H131-3+H2O2                       +3.91000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: SD !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C7H14-1+HO2<=>C7H131-4+H2O2                       +9.48000000E+001 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: J. AGUILERA-IPARRAGUIRRE, H. J. CURRAN, W. KLOPPER, J. M. SIMMIE, J. PHYS. CHEM. A, 112, 2008, 7047-7054 !\Comment: WARNING 
C7H14-1+HO2<=>C7H131-5+H2O2                       +9.48000000E+001 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: J. AGUILERA-IPARRAGUIRRE, H. J. CURRAN, W. KLOPPER, J. M. SIMMIE, J. PHYS. CHEM. A, 112, 2008, 7047-7054 !\Comment: WARNING 
C7H14-1+HO2<=>C7H131-6+H2O2                       +9.48000000E+001 +3.37000000E+000 +1.37200000E+004 !\Author: WARNING !\Ref: J. AGUILERA-IPARRAGUIRRE, H. J. CURRAN, W. KLOPPER, J. M. SIMMIE, J. PHYS. CHEM. A, 112, 2008, 7047-7054 !\Comment: WARNING 
C7H14-1+HO2<=>C7H131-7+H2O2                       +2.04000000E+001 +3.59000000E+000 +1.71600000E+004 !\Author: WARNING !\Ref: J. AGUILERA-IPARRAGUIRRE, H. J. CURRAN, W. KLOPPER, J. M. SIMMIE, J. PHYS. CHEM. A, 112, 2008, 7047-7054 !\Comment: WARNING 
C7H14-1+O<=>C7H131-1+OH                           +1.20000000E+011 +7.00000000E-001 +8.95910000E+003 !\Author: SD !\Ref: ANALOGY WITH C2H4+O !\Comment: WARNING 
C7H14-1+O<=>C7H131-2+OH                           +6.03000000E+010 +7.00000000E-001 +7.63200000E+003 !\Author: SD !\Ref: ANALOGY WITH C2H4+O !\Comment: WARNING 
C7H14-1+O<=>C7H131-3+OH                           +6.47000000E-003 +4.54000000E+000 -4.66980000E+003 !\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C7H14-1+O<=>C7H131-4+OH                           +2.81000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: WARNING !\Ref: J. V. MICHAEL, D. G. KEIL, R. B. KLEMM, INT. J. CHEM. KINET., 15, 1983, 705-719 !\Comment: WARNING 
C7H14-1+O<=>C7H131-5+OH                           +2.81000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: WARNING !\Ref: J. V. MICHAEL, D. G. KEIL, R. B. KLEMM, INT. J. CHEM. KINET., 15, 1983, 705-719 !\Comment: WARNING 
C7H14-1+O<=>C7H131-6+OH                           +2.81000000E+013 +0.00000000E+000 +5.20000000E+003 !\Author: WARNING !\Ref: J. V. MICHAEL, D. G. KEIL, R. B. KLEMM, INT. J. CHEM. KINET., 15, 1983, 705-719 !\Comment: WARNING 
C7H14-1+O<=>C7H131-7+OH                           +5.65000000E+013 +0.00000000E+000 +7.85000000E+003 !\Author: WARNING !\Ref: J. V. MICHAEL, D. G. KEIL, R. B. KLEMM, INT. J. CHEM. KINET., 15, 1983, 705-719 !\Comment: WARNING 
C7H14-1+O2<=>C7H131-1+HO2                         +2.00000000E+013 +0.00000000E+000 +6.22700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-1+O2<=>C7H131-2+HO2                         +1.00000000E+013 +0.00000000E+000 +5.87700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-1+O2<=>C7H131-3+HO2                         +6.06000000E+001 +3.45000000E+000 +3.46000000E+004 !\Author: SD !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C7H14-1+O2<=>C7H131-4+HO2                         +1.40000000E+013 +0.00000000E+000 +5.01600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-1+O2<=>C7H131-5+HO2                         +1.40000000E+013 +0.00000000E+000 +5.01600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-1+O2<=>C7H131-6+HO2                         +1.40000000E+013 +0.00000000E+000 +5.01600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-1+O2<=>C7H131-7+HO2                         +2.10000000E+013 +0.00000000E+000 +5.28000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-1+OH<=>C7H131-1+H2O                         +6.93000000E+006 +1.92000000E+000 +4.96200000E+003 !\Author: WARNING !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: WARNING 
C7H14-1+OH<=>C7H131-2+H2O                         +3.00000000E+006 +1.97000000E+000 +2.84800000E+003 !\Author: WARNING !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: WARNING 
C7H14-1+OH<=>C7H131-3+H2O                         +2.02000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: WARNING !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: WARNING 
C7H14-1+OH<=>C7H131-4+H2O                         +7.05000000E+009 +9.35000000E-001 +5.04700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-1+OH<=>C7H131-5+H2O                         +7.05000000E+009 +9.35000000E-001 +5.04700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-1+OH<=>C7H131-6+H2O                         +7.05000000E+009 +9.35000000E-001 +5.04700000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-1+OH<=>C7H131-7+H2O                         +1.36600000E+007 +1.81300000E+000 +8.68400000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: ALLYLIC_RADICALREACTIONS
!___________________________________________________________________________________________________________ 
C7H131-3+CH3(+M)<=>C8H16-3(+M)                    +5.00000000E+013 -3.20000000E-001 -2.62300000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
LOW /                                             +1.95500000E+060 -1.28100000E+001 +6.25000000E+003 /
TROE /                           +1.04000000E-001 +1.60600000E+003 +6.00000000E+004 +6.11800000E+003 /
AR / +0.7000 / CO / +1.5000 / CO2 / +2.0000 / H2 / +2.0000 / CH4 / +2.0000 / C2H6 / +3.0000 / H2O / +6.0000 / 
C7H131-3+CH3(+M)<=>I3C8D1(+M)                     +5.00000000E+013 -3.20000000E-001 -2.62300000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
LOW /                                             +1.95500000E+060 -1.28100000E+001 +6.25000000E+003 /
TROE /                           +1.04000000E-001 +1.60600000E+003 +6.00000000E+004 +6.11800000E+003 /
AR / +0.7000 / CO / +1.5000 / H2 / +2.0000 / CH4 / +2.0000 / CO2 / +2.0000 / C2H6 / +3.0000 / H2O / +6.0000 / 
C7H132-4+CH3(+M)<=>I2C8D3(+M)                     +5.00000000E+013 -3.20000000E-001 -2.62300000E+002 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
LOW /                                             +1.95500000E+060 -1.28100000E+001 +6.25000000E+003 /
TROE /                           +1.04000000E-001 +1.60600000E+003 +6.00000000E+004 +6.11800000E+003 /
AR / +0.7000 / CO / +1.5000 / CO2 / +2.0000 / H2 / +2.0000 / CH4 / +2.0000 / C2H6 / +3.0000 / H2O / +6.0000 / 
C7H132-4+CH3(+M)<=>I4C8D2(+M)                     +5.00000000E+013 -3.20000000E-001 -2.62300000E+002 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
LOW /                                             +1.95500000E+060 -1.28100000E+001 +6.25000000E+003 /
TROE /                           +1.04000000E-001 +1.60600000E+003 +6.00000000E+004 +6.11800000E+003 /
AR / +0.7000 / CO / +1.5000 / H2 / +2.0000 / CH4 / +2.0000 / CO2 / +2.0000 / C2H6 / +3.0000 / H2O / +6.0000 / 
!

C8H16-3+OH<=>C8H153-2+H2O                         +1.21200000E+006 +2.20000000E+000 -4.37200000E+002 !A*0.6 \Author: SD !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: WARNING 
C8H16-3+H<=>C8H153-2+H2                           +4.53300000E+005 +2.48700000E+000 +2.48324000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C8H16-3+O<=>C8H153-2+OH                           +6.47000000E-003 +4.54000000E+000 -4.66980000E+003 !\Author: SD !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C8H16-3+O2<=>C8H153-2+HO2                         +6.06000000E+001 +3.45000000E+000 +3.46000000E+004 !\Author: SD !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C8H16-3+HO2<=>C8H153-2+H2O2                       +7.82000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: SD !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C8H16-3+CH3<=>C8H153-2+CH4                        +1.69400000E+002 +3.12000000E+000 +5.78000000E+003 !\Author: SD !\Ref: WANG, KUN, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.9(2015) !\Comment: WARNING 
C8H16-3+CH3O<=>C8H153-2+CH3OH                     +1.45000000E+011 +0.00000000E+000 +2.97100000E+003 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C8H16-3+CH3O2<=>C8H153-2+CH3O2H                   +7.82000000E-001 +3.97000000E+000 +1.37020000E+004 !\Author: SD !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 

C8H16-3+OH<=>C8H153-5+H2O                         +1.21200000E+006 +2.20000000E+000 -4.37200000E+002 !A*0.6 \Author: SD !\Ref: VASU, SUBITH S., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 115.12(2011) !\Comment: WARNING 
C8H16-3+H<=>C8H153-5+H2                           +4.53300000E+005 +2.48700000E+000 +2.48324000E+003 !\Author: JP /KPS !\Ref: THIS WORK !\Comment: WB97XD /AUG-CC-PTVZ+CCSD(T) /TZ+MP2 /CBS CORRECTION 
C8H16-3+O<=>C8H153-5+OH                           +6.47000000E-003 +4.54000000E+000 -4.66980000E+003 !\Author: SD !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C8H16-3+O2<=>C8H153-5+HO2                         +6.06000000E+001 +3.45000000E+000 +3.46000000E+004 !\Author: SD !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C8H16-3+HO2<=>C8H153-5+H2O2                       +7.82000000E-001 +3.97000000E+000 +1.17020000E+004 !\Author: SD !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C8H16-3+CH3<=>C8H153-5+CH4                        +1.69400000E+002 +3.12000000E+000 +5.78000000E+003 !\Author: SD !\Ref: WANG, KUN, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.9(2015) !\Comment: WARNING 
C8H16-3+CH3O<=>C8H153-5+CH3OH                     +1.45000000E+011 +0.00000000E+000 +2.97100000E+003 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C8H16-3+CH3O2<=>C8H153-5+CH3O2H                   +7.82000000E-001 +3.97000000E+000 +1.37020000E+004 !\Author: SD !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 

C8H153-2+HO2<=>C8H152-4OOH                        +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.91000000E+031 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +6.31000000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +1.03000000E+045 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +2.79000000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 /
C8H153-2+HO2<=>C8H152-4O+OH                       +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
C8H152-4OOH<=>C8H152-4O+OH                        +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C8H152-4O<=>SC3H5CHO+PC4H9                        +5.51000000E+022 -2.76000000E+000 +1.39800000E+004 !\Author: SD !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 

C8H153-5+HO2<=>C8H153-5OOH                        +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.91000000E+031 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +6.31000000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +1.03000000E+045 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +2.79000000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 /
C8H153-5+HO2<=>C8H153-5O+OH                       +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
C8H153-5OOH<=>C8H153-5O+OH                        +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C8H153-5O<=>C4H7CHO-2+NC3H7                       +5.51000000E+022 -2.76000000E+000 +1.39800000E+004 !\Author: SD !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 

I3C8D1+OH<=>I3C8D1-3+H2O                          +6.14000000E+002 +3.20000000E+000 -3.50000000E+003 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
I3C8D1+H<=>I3C8D1-3+H2                            +2.65000000E+006 +2.20000000E+000 +0.00000000E+000 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
I3C8D1+O<=>I3C8D1-3+OH                            +3.30000000E+005 +2.43000000E+000 -7.90000000E+002 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
I3C8D1+O2<=>I3C8D1-3+HO2                          +1.10000000E+012 +0.00000000E+000 +3.52200000E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
I3C8D1+HO2<=>I3C8D1-3+H2O2                        +1.81000000E+003 +2.50000000E+000 +7.15400000E+003 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
I3C8D1+CH3<=>I3C8D1-3+CH4                         +4.61000000E+000 +3.10000000E+000 +2.33000000E+003 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
I3C8D1-3+HO2<=>I3C8D1-3O+OH                       +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: SD !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
I3C8D1-3O<=>C2H3COCH3+PC4H9                       +1.59000000E+022 -2.55000000E+000 +1.28400000E+004 !\Author: SD !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 


I2C8D3+OH<=>I2C8D3-2+H2O                          +6.14000000E+002 +3.20000000E+000 -3.50000000E+003 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
I2C8D3+H<=>I2C8D3-2+H2                            +2.65000000E+006 +2.20000000E+000 +0.00000000E+000 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
I2C8D3+O<=>I2C8D3-2+OH                            +3.30000000E+005 +2.43000000E+000 -7.90000000E+002 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
I2C8D3+O2<=>I2C8D3-2+HO2                          +1.10000000E+012 +0.00000000E+000 +3.52200000E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
I2C8D3+HO2<=>I2C8D3-2+H2O2                        +1.81000000E+003 +2.50000000E+000 +7.15400000E+003 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
I2C8D3+CH3<=>I2C8D3-2+CH4                         +4.61000000E+000 +3.10000000E+000 +2.33000000E+003 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
I2C8D3-2+HO2<=>I2C8D2-4O+OH                       +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: SD !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
I2C8D2-4O<=>IC5D2Y4+NC3H7                         +1.59000000E+022 -2.55000000E+000 +1.28400000E+004 !\Author: SD !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 

I4C8D2+OH<=>I4C8D2-4+H2O                          +6.14000000E+002 +3.20000000E+000 -3.50000000E+003 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
I4C8D2+H<=>I4C8D2-4+H2                            +2.65000000E+006 +2.20000000E+000 +0.00000000E+000 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
I4C8D2+O<=>I4C8D2-4+OH                            +3.30000000E+005 +2.43000000E+000 -7.90000000E+002 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
I4C8D2+O2<=>I4C8D2-4+HO2                          +1.10000000E+012 +0.00000000E+000 +3.52200000E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
I4C8D2+HO2<=>I4C8D2-4+H2O2                        +1.81000000E+003 +2.50000000E+000 +7.15400000E+003 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
I4C8D2+CH3<=>I4C8D2-4+CH4                         +4.61000000E+000 +3.10000000E+000 +2.33000000E+003 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
I4C8D2-4+HO2<=>I4C8D2-4O+OH                       +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: SD !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
I4C8D2-4O<=>NC52ONE-3+NC3H7                       +1.59000000E+022 -2.55000000E+000 +1.28400000E+004 !\Author: SD !\Ref: H. J. CURRAN, INT. J. CHEM. KINET., 38, 2006, 250-275 !\Comment: WARNING 

!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: ALLYLIC_RADICAL+HO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C7H131-3+HO2<=>C7H13-1D3OOH                       +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.91000000E+031 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +6.31000000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +1.03000000E+045 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +2.79000000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 /
C7H131-3+HO2<=>C7H13-1D3O+OH                      +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
C7H13-1D3OOH<=>C7H13-1D3O+OH                      +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C7H131-3+HO2<=>C7H13-2D1OOH                       +7.20000000E+031 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +9.55000000E+030 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +3.15500000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +5.15000000E+044 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +1.39500000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +7.20000000E+031 -6.01000000E+000 +6.05360000E+003 /
C7H131-3+HO2<=>C7H13-2D1O+OH                      +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.10000000E+012 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +2.49000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +3.88500000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +1.46500000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +8.20000000E+003 +2.74000000E+000 +1.14440000E+003 /
C7H13-2D1OOH<=>C7H13-2D1O+OH                      +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: KHP_HOMOLYTIC_FISSION
!___________________________________________________________________________________________________________ 
C7H13-1D3OOH+O2<=>C7H131-3O2+HO2                  +9.00000000E+013 +0.00000000E+000 +4.02000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C7H13-1D3O<=>C2H3CHO+PC4H9                        +6.69000000E+009 +9.09000000E-001 +9.30000000E+003 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C7H13-1D3O<=>PC4H9CHO+C2H3                        +8.52000000E+025 -3.61000000E+000 +2.78634000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325-3346 !\Comment: WARNING 
C7H13-2D1O<=>CH2O+C6H111-1                        +8.52000000E+025 -3.61000000E+000 +2.78634000E+004 !\Author: WARNING !\Ref: KINETICS FROM FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116(13), PP 3325-3346 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONO
!___________________________________________________________________________________________________________ 
C7H14-1+O<=>CH2CHO+C5H11-1                        +9.24000000E+008 +1.20000000E+000 -2.38300000E+002 !\Author: SD !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
C7H14-1+O<=>C6H13-1+HCO                           +6.23000000E+009 +7.90000000E-001 -1.47000000E+002 !\Author: SD !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
C7H14-1+O<=>C6H12-1+CH2O                          +1.46000000E+005 +2.36500000E+000 -8.32100000E+002 !\Author: SD !\Ref: BEDJANIAN, MORIN, J. PHYS. CHEM. A 2017, 121, 1553-1562 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 7.E_H_ADDITION!REF
!___________________________________________________________________________________________________________ 
C7H14-1+H<=>C7H15-1                               +1.20000000E+009 +1.30000000E+000 +1.04920000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-1+H<=>C7H15-2                               +6.61000000E+008 +1.40000000E+000 -6.77600000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+H<=>C7H15-2                               +3.89000000E+008 +1.60000000E+000 +5.79900000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+H<=>C7H15-3                               +3.89000000E+008 +1.60000000E+000 +5.79900000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+H<=>C7H15-3                               +3.89000000E+008 +1.60000000E+000 +5.79900000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+H<=>C7H15-4                               +3.89000000E+008 +1.60000000E+000 +5.79900000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 7A.E_WADDINGTON!REF
!___________________________________________________________________________________________________________ 
C7H14-1+OH<=>C7H14OH-1J2                          +5.58000000E+018 -2.03000000E+000 -4.00000000E-001 !\Author: WARNING !\Ref: ANTONOV, IVAN O., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A119.28(2015) !\Comment: WARNING 
PLOG /                           +9.87000000E-004 +1.65000000E+039 -9.21000000E+000 +3.56500000E+003 /
PLOG /                           +9.87000000E-004 +5.58000000E-040 +1.56000000E+001 -1.04000000E+004 /
PLOG /                           +9.87000000E-003 +2.55000000E+063 -1.66700000E+001 +1.26000000E+004 /
PLOG /                           +9.87000000E-003 +2.57000000E+026 -4.90000000E+000 +8.77900000E+002 /
PLOG /                           +9.87000000E-002 +2.90000000E+072 -1.90200000E+001 +1.89400000E+004 /
PLOG /                           +9.87000000E-002 +2.33000000E+023 -3.72000000E+000 +5.66500000E+002 /
PLOG /                           +9.87000000E-001 +2.30000000E+026 -4.36000000E+000 +3.21500000E+003 /
PLOG /                           +9.87000000E-001 +4.47000000E+026 -5.01000000E+000 +8.81100000E+002 /
PLOG /                           +9.87000000E+000 +1.24000000E+025 -4.41000000E+000 +7.22000000E+002 /
PLOG /                           +9.87000000E+000 +6.87000000E+020 -2.50000000E+000 +2.16000000E+003 /
PLOG /                           +9.87000000E+001 +5.58000000E+018 -2.03000000E+000 -4.00000000E-001 /
PLOG /                           +9.87000000E+001 +1.48000000E+021 -2.39000000E+000 +5.54300000E+003 /
C7H14-1+OH<=>C7H14OH-2J1                          +1.86000000E+018 -2.03000000E+000 -4.00000000E-001 !\Author: WARNING !\Ref: ANTONOV, IVAN O., ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A119.28(2015) !\Comment: WARNING 
PLOG /                           +9.87000000E-004 +5.50000000E+038 -9.21000000E+000 +3.56500000E+003 /
PLOG /                           +9.87000000E-004 +1.86000000E-040 +1.56000000E+001 -1.04000000E+004 /
PLOG /                           +9.87000000E-003 +8.50000000E+062 -1.66700000E+001 +1.26000000E+004 /
PLOG /                           +9.87000000E-003 +8.55000000E+025 -4.90000000E+000 +8.77900000E+002 /
PLOG /                           +9.87000000E-002 +9.65000000E+071 -1.90200000E+001 +1.89400000E+004 /
PLOG /                           +9.87000000E-002 +7.75000000E+022 -3.72000000E+000 +5.66500000E+002 /
PLOG /                           +9.87000000E-001 +7.65000000E+025 -4.36000000E+000 +3.21500000E+003 /
PLOG /                           +9.87000000E-001 +1.49000000E+026 -5.01000000E+000 +8.81100000E+002 /
PLOG /                           +9.87000000E+000 +4.12000000E+024 -4.41000000E+000 +7.22000000E+002 /
PLOG /                           +9.87000000E+000 +2.29000000E+020 -2.50000000E+000 +2.16000000E+003 /
PLOG /                           +9.87000000E+001 +1.86000000E+018 -2.03000000E+000 -4.00000000E-001 /
PLOG /                           +9.87000000E+001 +4.92000000E+020 -2.39000000E+000 +5.54300000E+003 /
C7H14-2+OH<=>C7H14OH-2J3                          +4.75000000E+012 +0.00000000E+000 -7.82000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2+OH<=>C7H14OH-3J2                          +4.75000000E+012 +0.00000000E+000 -7.82000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+OH<=>C7H14OH-3J4                          +4.75000000E+012 +0.00000000E+000 -7.82000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3+OH<=>C7H14OH-4J3                          +4.75000000E+012 +0.00000000E+000 -7.82000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>RO2
!___________________________________________________________________________________________________________ 
C7H14OH-1J2+O2<=>C7H14OH-1O2-2                    +3.48700000E+014 -8.16000000E-001 -5.36500000E+002 !\Author: SD !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL 
C7H14OH-2J1+O2<=>C7H14OH-2O2-1                    +6.86300000E+016 -1.62700000E+000 +1.99000000E+002 !\Author: SD !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL 
C7H14OH-2J3+O2<=>C7H14OH-2O2-3                    +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H14OH-3J2+O2<=>C7H14OH-3O2-2                    +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H14OH-4J3+O2<=>C7H14OH-3O2-4                    +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H14OH-3J4+O2<=>C7H14OH-4O2-3                    +2.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: HO2ELIMINATIONFROMRO2
!___________________________________________________________________________________________________________ 
C7H14OH-1O2-2<=>C7H13OH1-1+HO2                    +2.07000000E+013 +0.00000000E+000 +3.29990000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C7H14OH-1O2-2<=>C7H13OH1-2+HO2                    +3.15000000E+007 +1.58000000E+000 +2.87440000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C7H14OH-2O2-1<=>C7H13OH2-1+HO2                    +3.65000000E+013 -1.50000000E-001 +3.47900000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C7H13OH1-1+OH=>NC3H7+C2H3+C2H2OH+H2O              +1.01000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: SD !\Ref: S. S. VASU ET AL. J. PHYS. CHEM. A, 2011, 115, 2549?556 !\Comment: ANALOGY TO C4H8-1+OH<=>C4H71-3+H2O. DIVIDED BY 2. ALLYLIC H-ATOM ABSTRACTION FOLLOWED 
C7H13OH1-2+OH=>C2H5+C2H3+PC3H4OH-2+H2O            +1.01000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: SD !\Ref: S. S. VASU ET AL. J. PHYS. CHEM. A, 2011, 115, 2549?556 !\Comment: ANALOGY TO C4H8-1+OH<=>C4H71-3+H2O. DIVIDED BY 2. ALLYLIC H-ATOM ABSTRACTION FOLLOWED 
C7H13OH2-1+OH=>NC3H7+C4H5-I+OH+H2O                +1.01000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: SD !\Ref: S. S. VASU ET AL. J. PHYS. CHEM. A, 2011, 115, 2549?556 !\Comment: ANALOGY TO C4H8-1+OH<=>C4H71-3+H2O. DIVIDED BY 2. ALLYLIC H-ATOM ABSTRACTION FOLLOWED 
C7H14OH-2O2-3=>CH3CHO+PC4H9CHO+OH                 +2.50000000E+010 +0.00000000E+000 +1.88600000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H14OH-3O2-2=>CH3CHO+PC4H9CHO+OH                 +2.50000000E+010 +0.00000000E+000 +1.88600000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H14OH-3O2-4=>C2H5CHO+NC3H7CHO+OH                +2.50000000E+010 +0.00000000E+000 +1.88600000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H14OH-4O2-3=>C2H5CHO+NC3H7CHO+OH                +2.50000000E+010 +0.00000000E+000 +1.88600000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: WADDINGTONMECHANISM(RO2ISOMERIZATIONSANDBETA-SCISSION)
!___________________________________________________________________________________________________________ 
C7H14OH-1O2-2<=>C7H14OOH2-1O                      +2.61000000E+010 +2.90000000E-001 +2.03780000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C7H14OOH2-1O=>NC5H11CHO+CH2O+OH                   +1.99000000E+019 -1.50000000E+000 +1.08200000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C7H14OH-2O2-1<=>C7H14OOH1-2O                      +1.18000000E+010 +3.90000000E-001 +2.03220000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C7H14OOH1-2O=>NC5H11CHO+CH2O+OH                   +8.69000000E+021 -2.37000000E+000 +1.26290000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>QOOH
!___________________________________________________________________________________________________________ 
C7H14OH-1O2-2<=>C7H13OH1Q2-1                      +1.76000000E+003 +2.69000000E+000 +2.14980000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C7H14OH-1O2-2<=>C7H13OH1Q2-3                      +2.77000000E-001 +3.77000000E+000 +2.39920000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C7H14OH-1O2-2<=>C7H13OH1Q2-4                      +7.15000000E+005 +1.67000000E+000 +1.62210000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C7H14OH-1O2-2<=>C7H13OH1Q2-5                      +8.68000000E+002 +2.31000000E+000 +1.36000000E+004 !\Author: WARNING !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C7H14OH-1O2-2<=>C7H13OH1Q2-6                      +2.60000000E+006 +1.00000000E+000 +1.82000000E+004 !\Author: WARNING !\Ref: \COMMENT !\Comment: WARNING 
C7H14OH-2O2-1<=>C7H13OH2Q1-2                      +1.92000000E+005 +2.03000000E+000 +2.01900000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C7H14OH-2O2-1<=>C7H13OH2Q1-3                      +5.76000000E+006 +1.54000000E+000 +1.79440000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C7H14OH-2O2-1<=>C7H13OH2Q1-4                      +8.36000000E+006 +1.26000000E+000 +1.63330000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOHDECOMPOSITIONS
!___________________________________________________________________________________________________________ 
C7H13OH1Q2-1<=>C7H13OH1-1+HO2                     +5.22000000E+014 -2.40000000E-001 +1.66580000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C7H13OH1Q2-3<=>C7H13OH1-2+HO2                     +1.97000000E+010 +7.40000000E-001 +1.42800000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C7H13OH2Q1-2<=>C7H13OH2-1+HO2                     +5.46000000E+010 +9.20000000E-001 +1.48810000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C7H13OH1Q2-4=>HOCH2CHO+C5H10-1+OH                 +3.08100000E+013 +0.00000000E+000 +2.59583800E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C7H13OH2Q1-3=>CH2O+C6H11OH1-1+OH                  +3.08100000E+013 +0.00000000E+000 +2.56875500E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
C7H13OH1Q2-5<=>QC3H5OHP+C4H8-1                    +1.39200000E+014 +0.00000000E+000 +2.86569600E+004 !\Author: SD !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH<=>CYCETH+OH
!___________________________________________________________________________________________________________ 
C7H13OH1Q2-1<=>C7H13OH1O1-2+OH                    +3.90000000E+012 +2.00000000E-002 +9.53200000E+003 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C7H13OH1Q2-3<=>C7H13OH1O2-3+OH                    +2.76000000E+009 +1.01000000E+000 +8.03100000E+003 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C7H13OH1Q2-4<=>C7H13OH1O2-4+OH                    +2.44000000E+011 -8.00000000E-002 +1.27630000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C7H13OH1Q2-5<=>C7H13OH1O2-5+OH                    +7.59000000E+013 -1.08000000E+000 +9.09300000E+003 !\Author: WARNING !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C7H13OH1Q2-6<=>C7H13OH1O2-6+OH                    +7.59000000E+013 -1.08000000E+000 +9.09300000E+003 !\Author: WARNING !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C7H13OH2Q1-2<=>C7H13OH2O1-2+OH                    +8.62000000E+010 +5.60000000E-001 +9.18400000E+003 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C7H13OH2Q1-3<=>C7H13OH2O1-3+OH                    +6.83000000E+013 -5.90000000E-001 +1.84100000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C7H13OH2Q1-4<=>C7H13OH2O1-4+OH                    +1.90000000E+010 +5.00000000E-002 +1.07670000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: CYCETHDECOMPOSITIONS
!___________________________________________________________________________________________________________ 
C7H13OH1O1-2+OH=>H2O+C2H4+CO2+PC4H9               +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H13OH1O2-3+OH=>H2O+C2H3OH+CO+PC4H9              +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H13OH1O2-4+OH=>H2O+NC3H7CO+C3H5OH               +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H13OH1O2-5+OH=>H2O+C2H5COCH2+C3H5OH             +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H13OH1O2-6+OH=>H2O+C2H5COCH2+C3H5OH             +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H13OH2O1-2+OH=>H2O+PC4H9+CH2COHCHO              +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H13OH2O1-3+OH=>H2O+PC4H9CO+C2H3OH               +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H13OH2O1-4+OH=>H2O+NC3H7COCH2+C2H3OH            +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H13OH1O1-2+HO2=>H2O2+C2H4+CO2+PC4H9             +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H13OH1O2-3+HO2=>H2O2+C2H3OH+CO+PC4H9            +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H13OH1O2-4+HO2=>H2O2+NC3H7CO+C3H5OH             +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H13OH1O2-5+HO2=>H2O2+C2H5COCH2+C3H5OH           +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H13OH1O2-6+HO2=>H2O2+C2H5COCH2+C3H5OH           +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H13OH2O1-2+HO2=>H2O2+PC4H9+CH2COHCHO            +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H13OH2O1-3+HO2=>H2O2+PC4H9CO+C2H3OH             +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H13OH2O1-4+HO2=>H2O2+NC3H7COCH2+C2H3OH          +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: SD !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: A-HYDROXYPEROXYRADICAL+O2
!___________________________________________________________________________________________________________ 
C7H13OH1Q2-1+O2<=>C7KET12+HO2                     +1.68300000E+010 +7.61000000E-001 -1.63586000E+003 !\Author: WARNING !\Ref: J. ZADOR ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 271-277 !\Comment: WARNING 
C7H13OH2Q1-2+O2<=>C7KET21+HO2                     +3.36600000E+010 +7.61000000E-001 -1.63586000E+003 !\Author: WARNING !\Ref: J. ZADOR ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 271-277 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: OHQOOH+O2
!___________________________________________________________________________________________________________ 
C7H13OH1Q2-3+O2<=>C7H13OH1Q2-3O2                  +8.71500000E+013 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13OH1Q2-4+O2<=>C7H13OH1Q2-4O2                  +8.71500000E+013 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13OH1Q2-5+O2<=>C7H13OH1Q2-5O2                  +8.71500000E+013 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13OH1Q2-6+O2<=>C7H13OH1Q2-6O2                  +8.71500000E+013 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13OH2Q1-3+O2<=>C7H13OH2Q1-3O2                  +8.71500000E+013 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13OH2Q1-4+O2<=>C7H13OH2Q1-4O2                  +8.71500000E+013 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: O2QOOHDECOMPOSITIONS
!___________________________________________________________________________________________________________ 
C7H13OH1Q2-3O2<=>C7H123OH1Q2+HO2                  +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13OH1Q2-4O2<=>C7H123OH1Q2+HO2                  +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13OH1Q2-4O2<=>C7H124OH1Q2+HO2                  +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13OH1Q2-5O2<=>C7H124OH1Q2+HO2                  +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13OH1Q2-5O2<=>C7H125OH1Q2+HO2                  +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13OH1Q2-6O2<=>C7H125OH1Q2+HO2                  +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13OH2Q1-3O2<=>C7H122OH2Q1+HO2                  +6.12000000E+014 -4.70000000E-001 +3.45160000E+004 !\Author: SD !\Ref: LIZARDO-HUERTA, J. C., ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.17(2016) !\Comment: WARNING 
C7H13OH2Q1-3O2<=>C7H123OH2Q1+HO2                  +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13OH2Q1-4O2<=>C7H123OH2Q1+HO2                  +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13OH2Q1-4O2<=>C7H124OH2Q1+HO2                  +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H123OH1Q2+OH=>C5H91-1+HOCH2CO+OH+H2O            +1.01000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: JB !\Ref: S. S. VASU ET AL. J. PHYS. CHEM. A, 2011, 115, 2549?556 !\Comment: ANALOGY TO C4H8-1+OH<=>C4H71-3+H2O. DIVIDED BY 2. ALLYLIC H-ATOM ABSTRACTION FOLLOWED 
C7H124OH1Q2+OH=>C5H91-3+HOCH2CO+OH+H2O            +1.01000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: JB !\Ref: S. S. VASU ET AL. J. PHYS. CHEM. A, 2011, 115, 2549?556 !\Comment: ANALOGY TO C4H8-1+OH<=>C4H71-3+H2O. DIVIDED BY 2. ALLYLIC H-ATOM ABSTRACTION FOLLOWED 
C7H125OH1Q2+OH=>C5H92-5+HOCH2CO+OH+H2O            +1.01000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: JB !\Ref: S. S. VASU ET AL. J. PHYS. CHEM. A, 2011, 115, 2549?556 !\Comment: ANALOGY TO C4H8-1+OH<=>C4H71-3+H2O. DIVIDED BY 2. ALLYLIC H-ATOM ABSTRACTION FOLLOWED 
C7H122OH2Q1+OH=>C5H92-5+HOCH2CO+OH+H2O            +1.01000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: JB !\Ref: S. S. VASU ET AL. J. PHYS. CHEM. A, 2011, 115, 2549?556 !\Comment: ANALOGY TO C4H8-1+OH<=>C4H71-3+H2O. DIVIDED BY 2. ALLYLIC H-ATOM ABSTRACTION FOLLOWED 
C7H123OH2Q1+OH=>C5H92-5+HOCH2CO+OH+H2O            +1.01000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: JB !\Ref: S. S. VASU ET AL. J. PHYS. CHEM. A, 2011, 115, 2549?556 !\Comment: ANALOGY TO C4H8-1+OH<=>C4H71-3+H2O. DIVIDED BY 2. ALLYLIC H-ATOM ABSTRACTION FOLLOWED 
C7H124OH2Q1+OH=>C5H92-5+HOCH2CO+OH+H2O            +1.01000000E+006 +2.20000000E+000 -4.37200000E+002 !\Author: JB !\Ref: S. S. VASU ET AL. J. PHYS. CHEM. A, 2011, 115, 2549?556 !\Comment: ANALOGY TO C4H8-1+OH<=>C4H71-3+H2O. DIVIDED BY 2. ALLYLIC H-ATOM ABSTRACTION FOLLOWED 
C7H13OH1Q2-3O2<=>C7H13OH1KET2-3+OH                +1.74800000E+008 +1.70000000E+000 +2.60000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13OH1Q2-4O2<=>C7H13OH1KET2-4+OH                +1.75400000E+002 +3.10000000E+000 +1.75000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13OH1Q2-5O2<=>C7H13OH1KET2-5+OH                +2.53600000E+002 +2.60000000E+000 +1.62000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13OH2Q1-3O2<=>C7H13OH2KET1-3+OH                +1.09800000E+004 +2.40000000E+000 +1.99000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13OH2Q1-4O2<=>C7H13OH2KET1-4+OH                +1.25600000E+003 +2.20000000E+000 +1.74000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13OH1KET2-3=>PC4H9CHO+OH+CO+CH2OH              +5.25000000E+015 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13OH1KET2-4=>NC3H7CHO+OH+CH2CO+CH2OH           +5.25000000E+015 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13OH1KET2-5=>C2H5CHO+OH+C2H4+CO+CH2OH          +5.25000000E+015 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13OH2KET1-3=>HOCHCHO+PC4H9CHO+OH               +5.25000000E+015 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13OH2KET1-4=>HCO+C2H3OH+NC3H7CHO+OH            +5.25000000E+015 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 8.ER_DECOMPOSITION!REF
!___________________________________________________________________________________________________________ 
C4H61-3+NC3H7<=>C7H131-3                             +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H5-A+C4H8-1<=>C7H131-5                          +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H71-4+C3H6<=>C7H131-6                           +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H91-5+C2H4<=>C7H131-7                           +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H81-3+C2H5<=>C7H132-4                           +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C4H71-3+C3H6<=>C7H132-6                           +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H92-5+C2H4<=>C7H132-7                           +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H91-3+C2H4<=>C7H133-7                           +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 8A.ER+HO2=ERO+OH!REF
!___________________________________________________________________________________________________________ 
C7H13-2D4O+OH<=>C7H132-4+HO2                      +7.03000000E+015 -1.20000000E+000 +1.58900000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H13-3D5O+OH<=>C7H133-5+HO2                      +7.03000000E+015 -1.20000000E+000 +1.58900000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H13-2D4O+CH3O<=>C7H132-4+CH3O2                  +6.86000000E+017 -1.80000000E+000 +2.06500000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H13-3D5O+CH3O<=>C7H133-5+CH3O2                  +6.86000000E+017 -1.80000000E+000 +2.06500000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H13-2D4O+C2H5O<=>C7H132-4+C2H5O2                +4.49000000E+014 -9.00000000E-001 +1.84900000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H13-3D5O+C2H5O<=>C7H133-5+C2H5O2                +4.49000000E+014 -9.00000000E-001 +1.84900000E+004 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 8B.ERO_DECOMPOSITION!REF
!___________________________________________________________________________________________________________ 
C7H13-2D4O<=>SC3H5CHO+NC3H7                       +3.13000000E+019 -1.90000000E+000 +1.06700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H13-3D5O<=>C4H7CHO-2+C2H5                       +3.13000000E+019 -1.90000000E+000 +1.06700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: 9.E_UNIMOLECULAR_DECOMPOSITION!REF
!___________________________________________________________________________________________________________ 
C7H14-1<=>PC4H9+C3H5-A                            +3.17000000E+021 -1.62000000E+000 +7.53300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-2<=>C4H71-3+NC3H7                           +3.73500000E+021 -1.74000000E+000 +7.57100000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H14-3<=>C5H91-3+C2H5                            +5.94700000E+021 -1.85000000E+000 +7.57900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 210621, DUPLICATED!C7H14-3<=>C6H111-3+CH3                            +5.94700000E+021 -1.85000000E+000 +7.67900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: X3.PRD_UNIMOLECULAR_DECOMPOSITION!REF
!___________________________________________________________________________________________________________ 
!DONG 0325!C5D2Y1-1R=>C2H5+CO+C2H2                           +1.00000000E+011 +0.00000000E+000 +9.60000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6D2Y1+O2<=>C6D2Y1-1R+HO2                         +1.20000000E+005 +2.50000000E+000 +3.75600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6D2Y1+OH<=>C6D2Y1-1R+H2O                         +2.00000000E+006 +1.80000000E+000 -1.30000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6D2Y1+H<=>C6D2Y1-1R+H2                           +4.14000000E+009 +1.12000000E+000 +2.32000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6D2Y1+O<=>C6D2Y1-1R+OH                           +5.94000000E+012 +0.00000000E+000 +1.86800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6D2Y1+HO2<=>C6D2Y1-1R+H2O2                       +4.09000000E+004 +2.50000000E+000 +1.02000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6D2Y1+CH3<=>C6D2Y1-1R+CH4                        +2.89000000E-003 +4.62000000E+000 +3.21000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6D2Y1+CH3O<=>C6D2Y1-1R+CH3OH                     +1.00000000E+012 +0.00000000E+000 +3.30000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6D2Y1+CH3O2<=>C6D2Y1-1R+CH3O2H                   +4.09000000E+004 +2.50000000E+000 +1.02000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0325!C6D2Y1-1R=>NC3H7+CO+C2H2                          +1.00000000E+011 +0.00000000E+000 +9.60000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CH3CHO+CH2CHO<=>C4Y1-3OR                          +1.00000000E+011 +0.00000000E+000 +6.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: VINYLREACTIONPATHWAYSR+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C7H131-1+O2<=>HCO+NC5H11CHO                       +1.32000000E+021 -2.49000000E+000 +8.43900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.03000000E+018 -1.90000000E+000 +2.18700000E+003 /
PLOG /                           +1.00000000E-001 +3.05000000E+018 -1.90000000E+000 +2.18600000E+003 /
PLOG /                           +1.00000000E+000 +1.50000000E+019 -2.10000000E+000 +2.71200000E+003 /
PLOG /                           +1.00000000E+001 +1.49000000E+022 -2.90000000E+000 +5.75200000E+003 /
PLOG /                           +1.00000000E+002 +1.32000000E+021 -2.49000000E+000 +8.43900000E+003 /
C7H131-1+O2=>H+CO+NC5H11CHO                       +3.08000000E+021 -2.49000000E+000 +8.43900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +7.06000000E+018 -1.90000000E+000 +2.18700000E+003 /
PLOG /                           +1.00000000E-001 +7.11000000E+018 -1.90000000E+000 +2.18600000E+003 /
PLOG /                           +1.00000000E+000 +3.50000000E+019 -2.10000000E+000 +2.71200000E+003 /
PLOG /                           +1.00000000E+001 +3.47000000E+022 -2.90000000E+000 +5.75200000E+003 /
PLOG /                           +1.00000000E+002 +3.08000000E+021 -2.49000000E+000 +8.43900000E+003 /
C7H131-1+O2<=>C7H131-1O2                          +3.41000000E+039 -8.04000000E+000 +1.43600000E+004 !\Author: SD !\Ref: C. FRANKLIN GOLDSMITH C2H3+O2 J. PHYS. CHEM. A !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.55000000E+024 -5.45000000E+000 +9.66200000E+003 /
PLOG /                           +1.00000000E-002 +1.78000000E-009 +4.15000000E+000 -4.70700000E+003 /
PLOG /                           +1.00000000E-001 +3.48000000E+056 -1.50100000E+001 +1.91600000E+004 /
PLOG /                           +1.00000000E-001 +2.36000000E+022 -4.52000000E+000 +2.83900000E+003 /
PLOG /                           +3.16000000E-001 +1.25000000E+064 -1.69700000E+001 +2.12900000E+004 /
PLOG /                           +3.16000000E-001 +2.00000000E+026 -5.43000000E+000 +2.72500000E+003 /
PLOG /                           +1.00000000E+000 +3.34000000E+061 -1.57900000E+001 +2.01500000E+004 /
PLOG /                           +1.00000000E+000 +6.13000000E+028 -5.89000000E+000 +3.15400000E+003 /
PLOG /                           +3.16000000E+000 +7.34000000E+053 -1.31100000E+001 +1.73000000E+004 /
PLOG /                           +3.16000000E+000 +2.14000000E+029 -5.80000000E+000 +3.52000000E+003 /
PLOG /                           +1.00000000E+001 +4.16000000E+048 -1.12100000E+001 +1.60000000E+004 /
PLOG /                           +1.00000000E+001 +3.48000000E+028 -5.37000000E+000 +3.63600000E+003 /
PLOG /                           +3.16000000E+001 +2.33000000E+043 -9.38000000E+000 +1.48100000E+004 /
PLOG /                           +3.16000000E+001 +3.32000000E+027 -4.95000000E+000 +3.61000000E+003 /
PLOG /                           +1.00000000E+002 +3.41000000E+039 -8.04000000E+000 +1.43600000E+004 /
PLOG /                           +1.00000000E+002 +1.03000000E+027 -4.72000000E+000 +3.68000000E+003 /
C7H131-1O2<=>NC5H11CHO+HCO                        +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.66000000E+174 -5.55200000E+001 +6.03200000E+004 /
PLOG /                           +1.00000000E-002 +2.27000000E+035 -7.97000000E+000 +3.12800000E+004 /
PLOG /                           +1.00000000E-001 +9.03000000E+066 -1.72500000E+001 +4.81200000E+004 /
PLOG /                           +1.00000000E-001 +2.08000000E+026 -4.96000000E+000 +2.87800000E+004 /
PLOG /                           +3.16000000E-001 +1.82000000E+043 -9.87000000E+000 +3.79600000E+004 /
PLOG /                           +3.16000000E-001 +1.45000000E+020 -3.08000000E+000 +2.66300000E+004 /
PLOG /                           +1.00000000E+000 +8.64000000E+033 -6.88000000E+000 +3.43700000E+004 /
PLOG /                           +1.00000000E+000 +1.06000000E+130 -3.93800000E+001 +5.47000000E+004 /
PLOG /                           +3.16000000E+000 +7.29000000E+171 -4.35300000E+001 +1.91900000E+005 /
PLOG /                           +3.16000000E+000 +2.35000000E+034 -6.87000000E+000 +3.57000000E+004 /
PLOG /                           +1.00000000E+001 +1.03000000E+032 -6.06000000E+000 +3.55000000E+004 /
PLOG /                           +1.00000000E+001 +2.18000000E+175 -5.37800000E+001 +6.85000000E+004 /
PLOG /                           +3.16000000E+001 +1.85000000E+034 -6.57000000E+000 +3.85100000E+004 /
PLOG /                           +3.16000000E+001 +1.07000000E+185 -5.42200000E+001 +8.89900000E+004 /
PLOG /                           +1.00000000E+002 +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+002 +4.68000000E+002 +1.81000000E+000 +1.81000000E+004 /
C7H131-1O2=>NC5H11CHO+H+CO                        +1.33000000E+030 -5.19000000E+000 +3.68000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.88000000E+174 -5.55200000E+001 +6.03200000E+004 /
PLOG /                           +1.00000000E-002 +5.29000000E+035 -7.97000000E+000 +3.12800000E+004 /
PLOG /                           +1.00000000E-001 +2.11000000E+067 -1.72500000E+001 +4.81200000E+004 /
PLOG /                           +1.00000000E-001 +4.85000000E+026 -4.96000000E+000 +2.87800000E+004 /
PLOG /                           +3.16000000E-001 +4.26000000E+043 -9.87000000E+000 +3.79600000E+004 /
PLOG /                           +3.16000000E-001 +3.37000000E+020 -3.08000000E+000 +2.66300000E+004 /
PLOG /                           +1.00000000E+000 +2.02000000E+034 -6.88000000E+000 +3.43700000E+004 /
PLOG /                           +1.00000000E+000 +2.46000000E+130 -3.93800000E+001 +5.47000000E+004 /
PLOG /                           +3.16000000E+000 +1.70000000E+172 -4.35300000E+001 +1.91900000E+005 /
PLOG /                           +3.16000000E+000 +5.49000000E+034 -6.87000000E+000 +3.57000000E+004 /
PLOG /                           +1.00000000E+001 +2.40000000E+032 -6.06000000E+000 +3.55000000E+004 /
PLOG /                           +1.00000000E+001 +5.09000000E+175 -5.37800000E+001 +6.85000000E+004 /
PLOG /                           +3.16000000E+001 +4.32000000E+034 -6.57000000E+000 +3.85100000E+004 /
PLOG /                           +3.16000000E+001 +2.49000000E+185 -5.42200000E+001 +8.89900000E+004 /
PLOG /                           +1.00000000E+002 +1.33000000E+030 -5.19000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+002 +1.09000000E+003 +1.81000000E+000 +1.81000000E+004 /
C7H131-2+O2<=>CH2O+NC5H11CO                       +9.27000000E+021 -2.74000000E+000 +9.36400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.13000000E+020 -2.57000000E+000 +2.36600000E+003 /
PLOG /                           +1.00000000E-001 +5.55000000E+020 -2.61000000E+000 +2.45800000E+003 /
PLOG /                           +3.16000000E-001 +2.55000000E+021 -2.79000000E+000 +2.97400000E+003 /
PLOG /                           +1.00000000E+000 +9.03000000E+022 -3.21000000E+000 +4.29600000E+003 /
PLOG /                           +3.16000000E+000 +7.37000000E+024 -3.73000000E+000 +6.25900000E+003 /
PLOG /                           +1.00000000E+001 +1.36000000E+025 -3.76000000E+000 +7.61400000E+003 /
PLOG /                           +3.16000000E+001 +9.70000000E+024 -3.66000000E+000 +9.23200000E+003 /
PLOG /                           +1.00000000E+002 +9.27000000E+021 -2.74000000E+000 +9.36400000E+003 /
C7H131-2+O2<=>C7H131-2O2                          +4.64000000E+030 -5.51000000E+000 +7.33000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.83000000E+031 -7.74000000E+000 +5.06100000E+003 /
PLOG /                           +1.00000000E-001 +7.42000000E+039 -9.66000000E+000 +6.05200000E+003 /
PLOG /                           +3.16000000E-001 +1.97000000E+042 -1.00500000E+001 +7.46300000E+003 /
PLOG /                           +1.00000000E+000 +5.52000000E+042 -9.87000000E+000 +8.63300000E+003 /
PLOG /                           +3.16000000E+000 +3.27000000E+041 -9.24000000E+000 +9.29700000E+003 /
PLOG /                           +1.00000000E+001 +1.07000000E+039 -8.28000000E+000 +9.36200000E+003 /
PLOG /                           +3.16000000E+001 +8.38000000E+034 -6.89000000E+000 +8.49900000E+003 /
PLOG /                           +1.00000000E+002 +4.64000000E+030 -5.51000000E+000 +7.33000000E+003 /
C7H131-2O2<=>CH2O+NC5H11CO                        +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.66000000E+174 -5.55200000E+001 +6.03200000E+004 /
PLOG /                           +1.00000000E-002 +2.27000000E+035 -7.97000000E+000 +3.12800000E+004 /
PLOG /                           +1.00000000E-001 +9.03000000E+066 -1.72500000E+001 +4.81200000E+004 /
PLOG /                           +1.00000000E-001 +2.08000000E+026 -4.96000000E+000 +2.87800000E+004 /
PLOG /                           +3.16000000E-001 +1.82000000E+043 -9.87000000E+000 +3.79600000E+004 /
PLOG /                           +3.16000000E-001 +1.45000000E+020 -3.08000000E+000 +2.66300000E+004 /
PLOG /                           +1.00000000E+000 +8.64000000E+033 -6.88000000E+000 +3.43700000E+004 /
PLOG /                           +1.00000000E+000 +1.06000000E+130 -3.93800000E+001 +5.47000000E+004 /
PLOG /                           +3.16000000E+000 +7.29000000E+171 -4.35300000E+001 +1.91900000E+005 /
PLOG /                           +3.16000000E+000 +2.35000000E+034 -6.87000000E+000 +3.57000000E+004 /
PLOG /                           +1.00000000E+001 +1.03000000E+032 -6.06000000E+000 +3.55000000E+004 /
PLOG /                           +1.00000000E+001 +2.18000000E+175 -5.37800000E+001 +6.85000000E+004 /
PLOG /                           +3.16000000E+001 +1.85000000E+034 -6.57000000E+000 +3.85100000E+004 /
PLOG /                           +3.16000000E+001 +1.07000000E+185 -5.42200000E+001 +8.89900000E+004 /
PLOG /                           +1.00000000E+002 +5.70000000E+029 -5.19000000E+000 +3.68000000E+004 /
PLOG /                           +1.00000000E+002 +4.68000000E+002 +1.81000000E+000 +1.81000000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C7H131-3+O2<=>C7H121-3+HO2                        +3.27600000E-007 +5.42500000E+000 +7.58200000E+003 !\Author: SD !\Ref: DONTGEN, MALTE, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A(2019). !\Comment: WARNING 
C7H131-4+O2<=>C7H121-3+HO2                        +1.00000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: !JET SURF 2.0, ADD 2505 KWZ !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: ALKENYL-PEROXYREACTIONPATHWAYSR+O2<=>RO2
!___________________________________________________________________________________________________________ 
C7H131-3+O2<=>C7H131-3O2                          +9.14000000E+002 +2.17900000E+000 -2.20000000E+003 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C7H131-4+O2<=>C7H131-4O2                          +3.48600000E+014 -8.16000000E-001 -5.36000000E+002 !\Author: SD !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL 
C7H131-5+O2<=>C7H131-5O2                          +3.48600000E+014 -8.16000000E-001 -5.36000000E+002 !\Author: SD !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL 
C7H131-6+O2<=>C7H131-6O2                          +3.48600000E+014 -8.16000000E-001 -5.36000000E+002 !\Author: SD !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL 
C7H131-7+O2<=>C7H131-7O2                          +6.86300000E+016 -1.62700000E+000 +1.99000000E+002 !\Author: SD !\Ref: A. MIYOSHI, INT. J. CHEM. KIN., 44, 2012, 59-74 !\Comment: ASSUMED TO BE THE SAME AS REGULAR ALKYL RADICAL 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: ALKENYL-PEROXYREACTIONPATHWAYSRO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C7H131-3O2<=>C7H121OOH3-1                         +8.40000000E+005 +1.74000000E+000 +2.81300000E+004 !\Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
C7H131-3O2<=>C7H121OOH3-4                         +3.88000000E-005 +4.56500000E+000 +2.24000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C7H131-3O2<=>C7H121OOH3-5                         +5.80000000E+002 +2.24500000E+000 +1.55000000E+004 !\Author: SD !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C7H131-3O2<=>C7H121OOH3-6                         +9.90000000E+001 +2.25500000E+000 +1.51000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C7H131-3O2<=>C7H121-3+HO2                         +2.74000000E+008 +9.86000000E-001 +2.34000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C7H131-4O2<=>C7H121OOH4-1                         +1.18000000E-014 +7.18000000E+000 +4.41500000E+004 !\Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
C7H131-4O2<=>C7H121OOH4-2                         +5.27000000E+005 +1.98000000E+000 +2.47600000E+004 !\Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
C7H131-4O2<=>C7H121OOH4-3                         +9.25000000E-012 +6.63000000E+000 +1.46300000E+004 !\Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
C7H131-4O2<=>C7H121OOH4-5                         +7.97000000E-005 +4.55300000E+000 +2.21000000E+004 !\Author: SD !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C7H131-4O2<=>C7H121OOH4-6                         +4.32700000E+002 +2.39400000E+000 +1.51000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C7H131-4O2<=>C7H121OOH4-7                         +1.23300000E+006 +1.50000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H131-4O2<=>C7H121-3+HO2                         +1.50000000E+007 +1.80000000E+000 +2.53400000E+004 !\Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
C7H131-4O2<=>C7H121-4+HO2                         +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H131-5O2<=>C7H121OOH5-2                         +9.96000000E+005 +1.75000000E+000 +2.38300000E+004 !\Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
C7H131-5O2<=>C7H121OOH5-3                         +2.60000000E-005 +4.83000000E+000 +9.71000000E+003 !\Author: SD !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
C7H131-5O2<=>C7H121OOH5-4                         +3.43000000E-014 +7.62000000E+000 +1.81300000E+004 !\Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
C7H131-5O2<=>C7H121OOH5-6                         +3.43000000E-014 +7.62000000E+000 +1.81300000E+004 !\Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
C7H131-5O2<=>C7H121OOH5-7                         +1.43800000E+007 +1.40000000E+000 +2.08000000E+004 !\Author: SD !\Ref: LLNL ALKANE RATE RULES !\Comment: WARNING 
C7H131-5O2<=>C7H121-4+HO2                         +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H131-5O2<=>C7H121-5+HO2                         +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H131-6O2<=>C7H121OOH6-3                         +1.52000000E+004 +2.00500000E+000 +1.21320000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H131-6O2<=>C7H121OOH6-4                         +7.03400000E+010 +2.00000000E-001 +1.85000000E+004 !\Author: WARNING !\Ref: LLNL ALKANE RATE RULES !\Comment: WARNING 
C7H131-6O2<=>C7H121OOH6-5                         +1.71600000E+009 +9.00000000E-001 +2.95000000E+004 !\Author: SD !\Ref: LLNL ALKANE RATE RULES !\Comment: WARNING 
C7H131-6O2<=>C7H121OOH6-7                         +1.45900000E+009 +1.10000000E+000 +3.35000000E+004 !\Author: SD !\Ref: LLNL ALKANE RATE RULES !\Comment: WARNING 
C7H131-6O2<=>C7H121-5+HO2                         +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H131-6O2<=>C7H121-6+HO2                         +3.60600000E+009 +1.13000000E+000 +3.06000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H131-7O2<=>C7H121OOH7-4                         +3.71800000E+006 +1.20000000E+000 +1.66000000E+004 !\Author: SD !\Ref: LLNL ALKANE RATE RULES !\Comment: WARNING 
C7H131-7O2<=>C7H121OOH7-5                         +1.36000000E+007 +1.30000000E+000 +1.82000000E+004 !\Author: SD !\Ref: LLNL ALKANE RATE RULES !\Comment: WARNING 
C7H131-7O2<=>C7H121OOH7-6                         +4.01000000E+008 +1.10000000E+000 +3.01000000E+004 !\Author: SD !\Ref: LLNL ALKANE RATE RULES !\Comment: WARNING 
C7H131-7O2<=>C7H121-6+HO2                         +3.87000000E+007 +1.58000000E+000 +2.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: ALKENYL-PEROXYREACTIONPATHWAYSQOOH<=>CYCETH
!___________________________________________________________________________________________________________ 
C7H121OOH3-4<=>C7H121O3-4+OH                      +1.44000000E+016 -1.17800000E+000 +1.05000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C7H121OOH3-5<=>C7H121O3-5+OH                      +6.34000000E+011 +0.00000000E+000 +1.57803200E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH3-6<=>C7H121O3-6+OH                      +2.77000000E+010 +0.00000000E+000 +8.74200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH4-2<=>C7H121O2-4+OH                      +3.80000000E+009 +4.43000000E-001 +4.97000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C7H121OOH4-3<=>C7H121O3-4+OH                      +3.77000000E+010 +5.54000000E-001 +1.45000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C7H121OOH4-5<=>C7H121O4-5+OH                      +1.78000000E+012 +0.00000000E+000 +1.27026300E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH4-6<=>C7H121O4-6+OH                      +6.34000000E+011 +0.00000000E+000 +1.76126800E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH4-7<=>C7H121O4-7+OH                      +2.77000000E+010 +0.00000000E+000 +1.15746800E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH5-3<=>C7H121O3-5+OH                      +6.34000000E+011 +0.00000000E+000 +1.93870400E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH5-4<=>C7H121O4-5+OH                      +1.78000000E+012 +0.00000000E+000 +1.27026300E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH5-6<=>C7H121O5-6+OH                      +3.55000000E+012 +0.00000000E+000 +1.27026300E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH5-7<=>C7H121O5-7+OH                      +6.34000000E+011 +0.00000000E+000 +1.73354400E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH6-3<=>C7H121O3-6+OH                      +2.77000000E+010 +0.00000000E+000 +1.81520800E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH6-4<=>C7H121O4-6+OH                      +6.34000000E+011 +0.00000000E+000 +1.76126800E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH6-5<=>C7H121O5-6+OH                      +1.78000000E+012 +0.00000000E+000 +1.27026300E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH6-7<=>C7H121O6-7+OH                      +3.55000000E+012 +0.00000000E+000 +1.23724300E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH7-4<=>C7H121O4-7+OH                      +2.77000000E+010 +0.00000000E+000 +1.05019400E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH7-5<=>C7H121O5-7+OH                      +9.51000000E+011 +0.00000000E+000 +1.66202800E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH7-6<=>C7H121O6-7+OH                      +3.55000000E+012 +0.00000000E+000 +1.07135200E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121O2-4+OH=>H2O+C3H4-A+NC3H7CO                 +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H121O3-4+OH=>H2O+C2H3+C2H5+C2H3CO               +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H121O3-5+OH=>H2O+C4H8-1+C2H3CO                  +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H121O3-6+OH=>H2O+C3H6+C2H3+CH2CO                +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H121O4-5+OH=>H2O+C3H5-A+C2H5CHCO                +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H121O4-6+OH=>H2O+C3H6+C3H5-A+CO                 +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H121O4-7+OH=>H2O+C2H4+C3H5-A+CH2CO              +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H121O5-6+OH=>H2O+C4H71-4+CH3CHCO                +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H121O5-7+OH=>H2O+C2H4+C3H5-A+CH2CO              +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H121O6-7+OH=>H2O+C5H91-5+CH2CO                  +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!C7H122O1-4+OH=>H2O+C2H3+HCCO+NC3H7                +2.26000000E+003 +2.73000000E+000 -4.68860000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H121O2-4+HO2=>H2O2+C3H4-A+NC3H7CO               +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H121O3-4+HO2=>H2O2+C2H3+C2H5+C2H3CO             +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H121O3-5+HO2=>H2O2+C4H8-1+C2H3CO                +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H121O3-6+HO2=>H2O2+C3H6+C2H3+CH2CO              +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H121O4-5+HO2=>H2O2+C3H5-A+C2H5CHCO              +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H121O4-6+HO2=>H2O2+C3H6+C3H5-A+CO               +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H121O4-7+HO2=>H2O2+C2H4+C3H5-A+CH2CO            +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H121O5-6+HO2=>H2O2+C4H71-4+CH3CHCO              +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H121O5-7+HO2=>H2O2+C2H4+C3H5-A+CH2CO            +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
C7H121O6-7+HO2=>H2O2+C5H91-5+CH2CO                +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!C7H122O1-4+HO2=>H2O2+C2H3+HCCO+NC3H7              +1.72000000E+001 +3.46000000E+000 +9.73330000E+003 !\Author: WARNING !\Ref: WARNING NO REFERENCE !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: ALKENYL-PEROXYREACTIONPATHWAYSQOOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C7H121OOH3-4<=>C7H121-3+HO2                       +2.09000000E+011 +2.58000000E-001 +1.07000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C7H121OOH4-3<=>C7H121-3+HO2                       +1.92000000E+012 +7.90000000E-002 +2.07000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C7H121OOH4-5<=>C7H121-4+HO2                       +1.78000000E+012 +2.40000000E-001 +1.57000000E+004 !\Author: WARNING !\Ref: S.M. VILLANO, L.K. HUYNH, H.-H. CARSTENSEN, A.M. DEAN, J. PHYS. CHEM. A 116(21)(2012) 5068-5089. !\Comment: WARNING 
C7H121OOH5-4<=>C7H121-4+HO2                       +5.63000000E+009 +9.70000000E-001 +1.50000000E+004 !\Author: WARNING !\Ref: S.M. VILLANO, L.K. HUYNH, H.-H. CARSTENSEN, A.M. DEAN, J. PHYS. CHEM. A 116(21)(2012) 5068-5089. !\Comment: WARNING 
C7H121OOH5-6<=>C7H121-5+HO2                       +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: S.M. VILLANO, L.K. HUYNH, H.-H. CARSTENSEN, A.M. DEAN, J. PHYS. CHEM. A 116(21)(2012) 5068-5089. !\Comment: WARNING 
C7H121OOH6-5<=>C7H121-5+HO2                       +3.50000000E+011 +3.70000000E-001 +1.49000000E+004 !\Author: WARNING !\Ref: S.M. VILLANO, L.K. HUYNH, H.-H. CARSTENSEN, A.M. DEAN, J. PHYS. CHEM. A 116(21)(2012) 5068-5089. !\Comment: WARNING 
C7H121OOH6-7<=>C7H121-6+HO2                       +1.78000000E+012 +2.40000000E-001 +1.57000000E+004 !\Author: WARNING !\Ref: S.M. VILLANO, L.K. HUYNH, H.-H. CARSTENSEN, A.M. DEAN, J. PHYS. CHEM. A 116(21)(2012) 5068-5089. !\Comment: WARNING 
C7H121OOH7-6<=>C7H121-6+HO2                       +5.63000000E+009 +9.70000000E-001 +1.50000000E+004 !\Author: WARNING !\Ref: S.M. VILLANO, L.K. HUYNH, H.-H. CARSTENSEN, A.M. DEAN, J. PHYS. CHEM. A 116(21)(2012) 5068-5089. !\Comment: WARNING 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C7H14-1C7H14-2\C7H14-3
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C7H121-3C7H121-4\C7H121-5\C7H121-6
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: ALKENYL-PEROXYREACTIONPATHWAYSQOOH+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C7H121OOH4-3+HO2<=>C7H121-3,4OOH                  +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.91000000E+031 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +6.31000000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +1.03000000E+045 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +2.79000000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 /
C7H121OOH4-3+HO2<=>C7H121O-3-4OOH+OH              +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
C7H121OOH4-3+HO2<=>C7H121KET34+H2O                +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.09000000E+000 +3.01000000E+000 -3.42110000E+003 /
PLOG /                           +1.00000000E-001 +6.35000000E+001 +2.50000000E+000 -2.34140000E+003 /
PLOG /                           +1.00000000E+000 +6.05000000E+005 +1.39000000E+000 +5.95100000E+002 /
PLOG /                           +1.00000000E+001 +3.10000000E+005 +1.59000000E+000 +2.67760000E+003 /
PLOG /                           +1.00000000E+002 +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 /
C7H121-3,4OOH<=>C7H121O-3-4OOH+OH                 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C7H121-3,4OOH<=>C7H121KET34+H2O                   +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.99000000E+050 -1.27000000E+001 +5.35319000E+004 /
PLOG /                           +1.00000000E-001 +4.72000000E+047 -1.15000000E+001 +5.43609000E+004 /
PLOG /                           +1.00000000E+000 +1.50000000E+040 -8.84000000E+000 +5.31792000E+004 /
PLOG /                           +1.00000000E+001 +2.54000000E+028 -5.00000000E+000 +4.99194000E+004 /
PLOG /                           +1.00000000E+002 +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 /
C7H121OOH5-3+HO2<=>C7H121-3,5OOH                  +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.91000000E+031 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +6.31000000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +1.03000000E+045 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +2.79000000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 /
C7H121OOH5-3+HO2<=>C7H121O-3-5OOH+OH              +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
C7H121OOH5-3+HO2<=>C7H121KET35+H2O                +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.09000000E+000 +3.01000000E+000 -3.42110000E+003 /
PLOG /                           +1.00000000E-001 +6.35000000E+001 +2.50000000E+000 -2.34140000E+003 /
PLOG /                           +1.00000000E+000 +6.05000000E+005 +1.39000000E+000 +5.95100000E+002 /
PLOG /                           +1.00000000E+001 +3.10000000E+005 +1.59000000E+000 +2.67760000E+003 /
PLOG /                           +1.00000000E+002 +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 /
C7H121-3,5OOH<=>C7H121O-3-5OOH+OH                 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C7H121-3,5OOH<=>C7H121KET35+H2O                   +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.99000000E+050 -1.27000000E+001 +5.35319000E+004 /
PLOG /                           +1.00000000E-001 +4.72000000E+047 -1.15000000E+001 +5.43609000E+004 /
PLOG /                           +1.00000000E+000 +1.50000000E+040 -8.84000000E+000 +5.31792000E+004 /
PLOG /                           +1.00000000E+001 +2.54000000E+028 -5.00000000E+000 +4.99194000E+004 /
PLOG /                           +1.00000000E+002 +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 /
C7H121OOH6-3+HO2<=>C7H121-3,6OOH                  +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.91000000E+031 -7.23000000E+000 +1.33620000E+003 /
PLOG /                           +1.00000000E-001 +6.31000000E+042 -1.03000000E+001 +5.56890000E+003 /
PLOG /                           +1.00000000E+000 +1.03000000E+045 -1.06000000E+001 +7.85150000E+003 /
PLOG /                           +1.00000000E+001 +2.79000000E+037 -7.92000000E+000 +6.49790000E+003 /
PLOG /                           +1.00000000E+002 +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 /
C7H121OOH6-3+HO2<=>C7H121O-3-6OOH+OH              +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
C7H121OOH6-3+HO2<=>C7H121KET36+H2O                +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.09000000E+000 +3.01000000E+000 -3.42110000E+003 /
PLOG /                           +1.00000000E-001 +6.35000000E+001 +2.50000000E+000 -2.34140000E+003 /
PLOG /                           +1.00000000E+000 +6.05000000E+005 +1.39000000E+000 +5.95100000E+002 /
PLOG /                           +1.00000000E+001 +3.10000000E+005 +1.59000000E+000 +2.67760000E+003 /
PLOG /                           +1.00000000E+002 +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 /
C7H121-3,6OOH<=>C7H121O-3-6OOH+OH                 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C7H121-3,6OOH<=>C7H121KET36+H2O                   +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.99000000E+050 -1.27000000E+001 +5.35319000E+004 /
PLOG /                           +1.00000000E-001 +4.72000000E+047 -1.15000000E+001 +5.43609000E+004 /
PLOG /                           +1.00000000E+000 +1.50000000E+040 -8.84000000E+000 +5.31792000E+004 /
PLOG /                           +1.00000000E+001 +2.54000000E+028 -5.00000000E+000 +4.99194000E+004 /
PLOG /                           +1.00000000E+002 +1.48000000E+016 -1.12000000E+000 +4.59493000E+004 /
C7H121OOH3-4+O2<=>C7H121OOH3-4O2                  +4.61500000E+016 -1.62900000E+000 -2.00000000E+001 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C7H121OOH3-5+O2<=>C7H121OOH3-5O2                  +8.72000000E+013 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH3-6+O2<=>C7H121OOH3-6O2                  +8.72000000E+013 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH4-3+O2<=>C7H121OOH4-3O2                  +4.57000000E+002 +2.17900000E+000 -2.20000000E+003 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
!DONG 0423!C7H121OOH4-3+O2<=>C7H122OOH4-1O2                  +2.28500000E+002 +2.17900000E+000 -2.20000000E+003 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C7H121OOH4-5+O2<=>C7H121OOH4-5O2                  +8.72000000E+013 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH4-6+O2<=>C7H121OOH4-6O2                  +8.72000000E+013 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH4-7+O2<=>C7H121OOH4-7O2                  +1.72000000E+016 -1.62700000E+000 +1.99000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH5-3+O2<=>C7H121OOH5-3O2                  +4.57000000E+002 +2.17900000E+000 -2.20000000E+003 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C7H121OOH5-4+O2<=>C7H121OOH5-4O2                  +8.72000000E+013 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH5-6+O2<=>C7H121OOH5-6O2                  +8.72000000E+013 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH5-7+O2<=>C7H121OOH5-7O2                  +1.72000000E+016 -1.62700000E+000 +1.99000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH6-3+O2<=>C7H121OOH6-3O2                  +4.57000000E+002 +2.17900000E+000 -2.20000000E+003 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
!DONG 0423!C7H121OOH6-3+O2<=>C7H122OOH6-1O2                  +2.28500000E+002 +2.17900000E+000 -2.20000000E+003 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C7H121OOH6-4+O2<=>C7H121OOH6-4O2                  +8.72000000E+013 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH6-5+O2<=>C7H121OOH6-5O2                  +8.72000000E+013 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH6-7+O2<=>C7H121OOH6-7O2                  +1.72000000E+016 -1.62700000E+000 +1.99000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH7-4+O2<=>C7H121OOH7-4O2                  +8.72000000E+013 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH7-5+O2<=>C7H121OOH7-5O2                  +8.72000000E+013 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH7-6+O2<=>C7H121OOH7-6O2                  +8.72000000E+013 -8.16000000E-001 -5.36500000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH3-4O2<=>C7H11D14-3OOH+HO2                +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH3-5O2<=>C7H11D14-3OOH+HO2                +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH3-5O2<=>C7H11D15-3OOH+HO2                +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH3-6O2<=>C7H11D15-3OOH+HO2                +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH3-6O2<=>C7H11D16-3OOH+HO2                +3.60600000E+009 +1.13000000E+000 +3.06000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH4-5O2<=>C7H11D15-4OOH+HO2                +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH4-6O2<=>C7H11D15-4OOH+HO2                +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH4-6O2<=>C7H11D16-4OOH+HO2                +3.60600000E+009 +1.13000000E+000 +3.06000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH4-7O2<=>C7H11D16-4OOH+HO2                +3.87000000E+007 +1.58000000E+000 +2.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH5-3O2<=>C7H11D13-5OOH+HO2                +2.74000000E+008 +9.86000000E-001 +2.34000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C7H121OOH5-4O2<=>C7H11D13-5OOH+HO2                +1.50000000E+007 +1.80000000E+000 +2.53400000E+004 !\Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
C7H121OOH5-6O2<=>C7H11D16-3OOH+HO2                +3.60600000E+009 +1.13000000E+000 +3.06000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH5-7O2<=>C7H11D16-4OOH+HO2                +3.87000000E+007 +1.58000000E+000 +2.85000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH6-3O2<=>C7H11D13-6OOH+HO2                +2.74000000E+008 +9.86000000E-001 +2.34000000E+004 !\Author: WARNING !\Ref: YOU, XIAOQING, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 120.30(2016) !\Comment: WARNING 
C7H121OOH6-4O2<=>C7H11D13-6OOH+HO2                +1.50000000E+007 +1.80000000E+000 +2.53400000E+004 !\Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
C7H121OOH6-4O2<=>C7H11D14-6OOH+HO2                +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH6-5O2<=>C7H11D14-6OOH+HO2                +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH7-4O2<=>C7H11D13-7OOH+HO2                +1.50000000E+007 +1.80000000E+000 +2.53400000E+004 !\Author: WARNING !\Ref: SUN, XIAOHUI, ET AL. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019) !\Comment: WARNING 
C7H121OOH7-5O2<=>C7H11D14-7OOH+HO2                +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH7-5O2<=>C7H11D15-7OOH+HO2                +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH7-6O2<=>C7H11D15-7OOH+HO2                +6.16800000E+009 +1.01000000E+000 +2.93620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H11D14-3OOH<=>CVCCOJCVCCC+OH                    +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C7H11D15-3OOH<=>CVCCOJCCVCC+OH                    +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C7H11D16-3OOH<=>CVCCOJCCCVC+OH                    +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C7H11D15-4OOH<=>CVCCOJCCCVC+OH                    +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C7H11D16-4OOH<=>CVCCOJCCCVC+OH                    +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C7H11D13-5OOH<=>CVCCVCCOJCC+OH                    +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C7H11D13-6OOH<=>CVCCVCCOJCC+OH                    +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C7H11D14-6OOH<=>CVCCVCCOJCC+OH                    +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C7H11D13-7OOH<=>CVCCVCCOJCC+OH                    +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C7H11D14-7OOH<=>CVCCVCCOJCC+OH                    +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C7H11D15-7OOH<=>CVCCVCCOJCC+OH                    +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.49000000E+058 -1.39000000E+001 +5.42669000E+004 /
PLOG /                           +1.00000000E-001 +1.80000000E+054 -1.24000000E+001 +5.41938000E+004 /
PLOG /                           +1.00000000E+000 +3.36000000E+046 -9.81000000E+000 +5.24685000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+036 -6.54000000E+000 +4.94290000E+004 /
PLOG /                           +1.00000000E+002 +1.28000000E+027 -3.61000000E+000 +4.63331000E+004 /
C7H121OOH3-4O2<=>C7H121KET34+OH                   +1.74800000E+008 +1.70000000E+000 +2.60000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C7H121OOH3-5O2<=>C7H121KET35+OH                   +1.75400000E+002 +3.10000000E+000 +1.75000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C7H121OOH3-6O2<=>C7H121KET36+OH                   +2.53600000E+002 +2.60000000E+000 +1.62000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C7H121OOH4-3O2<=>C7H121KET43+OH                   +1.74800000E+008 +1.70000000E+000 +2.60000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C7H121OOH4-5O2<=>C7H121KET45+OH                   +1.74800000E+008 +1.70000000E+000 +2.60000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C7H121OOH4-6O2<=>C7H121KET46+OH                   +1.75400000E+002 +3.10000000E+000 +1.75000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C7H121OOH4-7O2<=>C7H121KET47+OH                   +3.76800000E+002 +2.20000000E+000 +1.53000000E+004 !\Author: WARNING !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C7H121OOH5-3O2<=>C7H121KET53+OH                   +1.75400000E+002 +3.10000000E+000 +1.75000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C7H121OOH5-4O2<=>C7H121KET54+OH                   +1.74800000E+008 +1.70000000E+000 +2.60000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C7H121OOH5-6O2<=>C7H121KET56+OH                   +1.74800000E+008 +1.70000000E+000 +2.60000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C7H121OOH5-7O2<=>C7H121KET57+OH                   +5.78600000E+001 +2.90000000E+000 +1.70000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C7H121OOH6-3O2<=>C7H121KET63+OH                   +2.53600000E+002 +2.60000000E+000 +1.62000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C7H121OOH6-4O2<=>C7H121KET64+OH                   +1.75400000E+002 +3.10000000E+000 +1.75000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C7H121OOH6-5O2<=>C7H121KET65+OH                   +1.74800000E+008 +1.70000000E+000 +2.60000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C7H121OOH6-7O2<=>C7H121KET67+OH                   +2.76300000E+008 +1.20000000E+000 +2.57000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C7H121OOH7-4O2<=>C7H121KET74+OH                   +1.25600000E+003 +2.20000000E+000 +1.74000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C7H121OOH7-5O2<=>C7H121KET75+OH                   +1.09800000E+004 +2.40000000E+000 +1.99000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C7H121OOH7-6O2<=>C7H121KET76+OH                   +2.44000000E+007 +1.60000000E+000 +2.79000000E+004 !\Author: SD !\Ref: S. SHARMA, S. RAMAN, W. H. GREEN. J. PHYS. CHEM. A 2010, 114, 5689-5701 !\Comment: WARNING 
C7H121KET34=>C7H121KET34O+OH                      +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET34O=>C2H3CO+NC3H7CHO                     +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET35=>C7H121KET35O+OH                      +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET35O=>C2H3+CH2CO+C2H5CHO                  +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET36=>C7H121KET36O+OH                      +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET36O=>C2H4+CH3CHO+C2H3CO                  +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET43=>C7H121KET43O+OH                      +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET43O=>C2H3CHO+NC3H7CO                     +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET45=>C7H121KET45O+OH                      +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET45O=>C3H5-A+CO+C2H5CHO                   +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET46=>C7H121KET46O+OH                      +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET46O=>C3H5-A+CH3CHO+CH2CO                 +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET47=>C7H121KET47O+OH                      +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET47O=>C2H3+CH2CO+C2H4+CH2O                +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET53=>C7H121KET53O+OH                      +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET53O=>C2H3CHO+C2H5COCH2                   +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET54=>C7H121KET54O+OH                      +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET54O=>AC3H5CHO+C2H5CO                     +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET56=>C7H121KET56O+OH                      +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET56O=>C3H5-A+CH2CO+CH3CHO                 +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET57=>C7H121KET57O+OH                      +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET57O=>C4H71-4+CH2CO+CH2O                  +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET63=>C7H121KET63O+OH                      +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET63O=>C2H3CHO+CH2CH2COCH3                 +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET64=>C7H121KET64O+OH                      +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET64O=>AC3H5CHO+CH3COCH2                   +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET65=>C7H121KET65O+OH                      +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET65O=>C4H7CHO-4+CH3CO                     +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET67=>C7H121KET67O+OH                      +1.50000000E+016 +0.00000000E+000 +4.08000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET67O=>C4H71-4+CH2CO+CH2O                  +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET74=>C7H121KET74O+OH                      +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET74O=>AC3H5CHO+CH2CH2CHO                  +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET75=>C7H121KET54O+OH                      +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0329!C7H121KET75O=>C4H7CHO-4+CH2CHO                    +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET76=>C7H121KET76O+OH                      +1.05000000E+016 +0.00000000E+000 +4.18000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121KET76O=>C5H91-5+CHOCHO                      +2.90000000E+012 +3.80000000E-001 +1.10800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: ALKENYL-PEROXYREACTIONPATHWAYSQOOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
!C7H121-3+O2<=>CVCCVCCJCC+HO2                      +3.87000000E+001 +3.52000000E+000 +3.62000000E+004 !\Author: WARNING !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
!C7H121-3+H<=>CVCCVCCJCC+H2                        +3.39900000E+005 +2.65300000E+000 +4.86869600E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!C7H121-3+O<=>CVCCVCCJCC+OH                        +9.68000000E-003 +4.54000000E+000 -2.46980000E+003 !\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
!C7H121-3+OH<=>CVCCVCCJCC+H2O                      +4.46000000E+006 +2.07200000E+000 +1.05080000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!C7H121-3+HO2<=>CVCCVCCJCC+H2O2                    +1.72000000E-001 +4.00000000E+000 +1.21030000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
!C7H121-3+CH3=CVCCVCCJCC+CH4                       +8.99000000E+002 +2.84000000E+000 +5.77000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!CVCCVCCJCC+HO2<=>CVCCVCCOJCC+OH                   +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
!PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
!PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
!PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
!PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
!PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
C7H121-3+O2<=>CVCCJCVCCC+HO2                      +3.87000000E+001 +3.52000000E+000 +3.62000000E+004 !\Author: WARNING !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C7H121-3+H<=>CVCCJCVCCC+H2                        +3.39900000E+005 +2.65300000E+000 +4.86869600E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121-3+O<=>CVCCJCVCCC+OH                        +9.68000000E-003 +4.54000000E+000 -2.46980000E+003 !\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C7H121-3+OH<=>CVCCJCVCCC+H2O                      +4.46000000E+006 +2.07200000E+000 +1.05080000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121-3+HO2<=>CVCCJCVCCC+H2O2                    +1.72000000E-001 +4.00000000E+000 +1.21030000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C7H121-3+CH3=CVCCJCVCCC+CH4                       +8.99000000E+002 +2.84000000E+000 +5.77000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CVCCJCVCCC+HO2<=>CVCCVCCOJCC+OH                   +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
CVCCVCCOJCC<=>C2H5CHO+C4H5-N                      +3.92000000E+028 -4.66100000E+000 +2.76430000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +6.06000000E+016 -2.10600000E+000 +2.04360000E+004 /
PLOG /                           +1.00000000E+000 +3.16000000E+017 -2.02600000E+000 +2.05880000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+022 -3.17600000E+000 +2.29930000E+004 /
PLOG /                           +1.00000000E+002 +3.92000000E+028 -4.66100000E+000 +2.76430000E+004 /
C7H121-4+O2<=>CVCCJCVCCC+HO2                      +3.87000000E+001 +3.52000000E+000 +3.62000000E+004 !\Author: WARNING !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C7H121-4+H<=>CVCCJCVCCC+H2                        +3.39900000E+005 +2.65300000E+000 +4.86869600E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121-4+O<=>CVCCJCVCCC+OH                        +9.68000000E-003 +4.54000000E+000 -2.46980000E+003 !\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C7H121-4+OH<=>CVCCJCVCCC+H2O                      +4.46000000E+006 +2.07200000E+000 +1.05080000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121-4+HO2<=>CVCCJCVCCC+H2O2                    +1.72000000E-001 +4.00000000E+000 +1.21030000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C7H121-4+CH3=CVCCJCVCCC+CH4                       +8.99000000E+002 +2.84000000E+000 +5.77000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CVCCJCVCCC+HO2<=>CVCCOJCVCCC+OH                   +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
CVCCOJCVCCC<=>C2H3CHO+C4H71-1                     +3.92000000E+028 -4.66100000E+000 +2.76430000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +6.06000000E+016 -2.10600000E+000 +2.04360000E+004 /
PLOG /                           +1.00000000E+000 +3.16000000E+017 -2.02600000E+000 +2.05880000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+022 -3.17600000E+000 +2.29930000E+004 /
PLOG /                           +1.00000000E+002 +3.92000000E+028 -4.66100000E+000 +2.76430000E+004 /
C7H121-5+O2<=>CVCCJCCVCC+HO2                      +3.87000000E+001 +3.52000000E+000 +3.62000000E+004 !\Author: WARNING !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C7H121-5+H<=>CVCCJCCVCC+H2                        +3.39900000E+005 +2.65300000E+000 +4.86869600E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121-5+O<=>CVCCJCCVCC+OH                        +9.68000000E-003 +4.54000000E+000 -2.46980000E+003 !\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C7H121-5+OH<=>CVCCJCCVCC+H2O                      +4.46000000E+006 +2.07200000E+000 +1.05080000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121-5+HO2<=>CVCCJCCVCC+H2O2                    +1.72000000E-001 +4.00000000E+000 +1.21030000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C7H121-5+CH3=CVCCJCCVCC+CH4                       +8.99000000E+002 +2.84000000E+000 +5.77000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CVCCJCCVCC+HO2<=>CVCCOJCCVCC+OH                   +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
CVCCOJCCVCC<=>C2H3CHO+C4H71-3                     +3.92000000E+028 -4.66100000E+000 +2.76430000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +6.06000000E+016 -2.10600000E+000 +2.04360000E+004 /
PLOG /                           +1.00000000E+000 +3.16000000E+017 -2.02600000E+000 +2.05880000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+022 -3.17600000E+000 +2.29930000E+004 /
PLOG /                           +1.00000000E+002 +3.92000000E+028 -4.66100000E+000 +2.76430000E+004 /
C7H121-6+O2<=>CVCCJCCCVC+HO2                      +7.74000000E+001 +3.52000000E+000 +3.62000000E+004 !\Author: WARNING !\Ref: ZHOU, CHONG-WEN, ET AL. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.9(2017) !\Comment: WARNING 
C7H121-6+H<=>CVCCJCCCVC+H2                        +6.80000000E+005 +2.65300000E+000 +4.86869600E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121-6+O<=>CVCCJCCCVC+OH                        +1.93600000E-002 +4.54000000E+000 -2.46980000E+003 !\Author: WARNING !\Ref: BEDJANIAN, YURI, AND JULIEN MORIN. THE JOURNAL OF PHYSICAL CHEMISTRY A 121.8(2017) !\Comment: WARNING 
C7H121-6+OH<=>CVCCJCCCVC+H2O                      +8.92000000E+006 +2.07200000E+000 +1.05080000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121-6+HO2<=>CVCCJCCCVC+H2O2                    +3.44000000E-001 +4.00000000E+000 +1.21030000E+004 !\Author: WARNING !\Ref: ZADOR, KLIPPENSTEIN, AND MILLER - J. PHYS. CHEM. A, 2011, 115(36), PP 10218-10225 !\Comment: WARNING 
C7H121-6+CH3=CVCCJCCCVC+CH4                       +1.79800000E+003 +2.84000000E+000 +5.77000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
CVCCJCCCVC+HO2<=>CVCCOJCCCVC+OH                   +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: GOLDSMITH, C. FRANKLIN, ET AL. PROCEEDINGS OF THE COMBUSTION INSTITUTE 33.1(2011) !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.02000000E+013 -1.58000000E-001 -1.41700000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+014 -6.42000000E-001 -3.49100000E+002 /
PLOG /                           +1.00000000E+000 +7.77000000E+017 -1.52000000E+000 +2.37920000E+003 /
PLOG /                           +1.00000000E+001 +2.93000000E+015 -6.84000000E-001 +3.61530000E+003 /
PLOG /                           +1.00000000E+002 +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 /
CVCCOJCCCVC<=>C2H3CHO+C4H71-3                     +3.92000000E+028 -4.66100000E+000 +2.76430000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +6.06000000E+016 -2.10600000E+000 +2.04360000E+004 /
PLOG /                           +1.00000000E+000 +3.16000000E+017 -2.02600000E+000 +2.05880000E+004 /
PLOG /                           +1.00000000E+001 +2.39000000E+022 -3.17600000E+000 +2.29930000E+004 /
PLOG /                           +1.00000000E+002 +3.92000000E+028 -4.66100000E+000 +2.76430000E+004 /
C7H121OOH3-1=>OH+C2H2+PC4H9CHO                    +3.08100000E+013 +0.00000000E+000 +2.48618000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH3-5=>OH+C4H8-1+C2H3CHO                   +3.08100000E+013 +0.00000000E+000 +2.33513000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH4-2=>OH+C3H4-A+NC3H7CHO                  +3.08100000E+013 +0.00000000E+000 +2.59865000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH4-6=>OH+C3H6+AC3H5CHO                    +3.08100000E+013 +0.00000000E+000 +2.57713000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH5-3=>OH+C4H61-3+C2H5CHO                     +3.08100000E+013 +0.00000000E+000 +2.99238000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH5-7=>OH+C2H4+C4H7CHO-4                   +3.08100000E+013 +0.00000000E+000 +2.47749000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH6-4=>OH+C5H81-3+CH3CHO                   +3.08100000E+013 +0.00000000E+000 +2.17433000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH7-5=>OH+CH2O+C6H10D13                    +3.08100000E+013 +0.00000000E+000 +2.41866000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0423!C7H122OOH4-2=>OH+C3H4-P+NC3H7CHO                  +3.08100000E+013 +0.00000000E+000 +2.51533000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0423!C7H122OOH5-3=>OH+C4H612+C2H5CHO                   +3.08100000E+013 +0.00000000E+000 +2.58895000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH3-6<=>C3H6+C4H61OOH3-4                   +1.39200000E+014 +0.00000000E+000 +2.96335000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH4-7<=>C2H4+C5H81OOH4-5                   +1.39200000E+014 +0.00000000E+000 +3.64271000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH6-3<=>C4H61-3+C3H6OOH2-1                    +1.39200000E+014 +0.00000000E+000 +4.58741000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH7-4<=>C5H81-3+C2H4O2H                    +1.39200000E+014 +0.00000000E+000 +3.08239000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH4-1<=>C2H2+C5H10OOH2-1                   +1.39200000E+014 +0.00000000E+000 +3.91474000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H121OOH5-2<=>C3H4-A+C4H8OOH2-1                  +1.39200000E+014 +0.00000000E+000 +3.88321000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!DONG 0423!C7H122OOH5-2<=>C3H4-P+C4H8OOH2-1                  +1.39200000E+014 +0.00000000E+000 +3.96579000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C7H121-3C7H121-4\C7H121-5\C7H121-6
!----------------------------------------------------------------------------------------------------------------------------------
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\END_KINETICS_MODULE: C7
!\KINETICS_MODULE: AROMATIC
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: CORE_TO_AROMATIC_LINKERS
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: AROMATIC_GROWTH
!___________________________________________________________________________________________________________ 
L-C6H4+H<=>C-C6H4+H                               +1.40000000E+054 -1.17000000E+001 +3.45000000E+004 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C-C6H4+H<=>C6H5                                   +2.40000000E+060 -1.36600000E+001 +2.95000000E+004 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
L-C6H4+H<=>C6H5                                   +1.70000000E+078 -1.97200000E+001 +3.14000000E+004 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C6H3+H<=>L-C6H4                                   +3.40000000E+043 -9.01000000E+000 +1.21200000E+004 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
L-C6H4+H<=>C6H3+H2                                +1.33000000E+006 +2.53000000E+000 +9.24000000E+003 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
L-C6H4+OH<=>C6H3+H2O                              +3.10000000E+006 +2.00000000E+000 +4.30000000E+002 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C6H2+H<=>C6H3                                     +1.10000000E+030 -4.92000000E+000 +1.08000000E+004 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C6H3+H<=>C6H2+H2                                  +3.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C6H3+OH<=>C6H2+H2O                                +4.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
C6H3+H<=>C4H2+C2H2                                +2.80000000E+023 -2.55000000E+000 +1.07800000E+004 !\Author: WARNING !\Ref: LASKIN ET AL. IJCK 32 589-614 2000 !\Comment: WARNING 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: CORE_TO_AROMATIC_LINKERS
!----------------------------------------------------------------------------------------------------------------------------------


!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C6H6
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C6H6=C6H5+H                                       +5.50000000E+038 -6.18000000E+000 +1.32000000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +3.95000000E-002 +1.35000000E+108 -2.58000000E+001 +1.82000000E+005 /
PLOG /                           +1.00000000E+000 +6.31000000E+060 -1.24000000E+001 +1.48000000E+005 /
PLOG /                           +1.00000000E+001 +5.50000000E+038 -6.18000000E+000 +1.32000000E+005 /
FULVENE=C6H6                                      +2.95100000E+031 -4.97000000E+000 +8.84650000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +3.95000000E-002 +5.62300000E+081 -1.93600000E+001 +1.21500000E+005 /
PLOG /                           +1.00000000E+000 +1.44500000E+045 -8.90000000E+000 +9.69990000E+004 /
PLOG /                           +1.00000000E+001 +2.95100000E+031 -4.97000000E+000 +8.84650000E+004 /
FULVENE=C6H5+H                                    +8.51100000E+024 -4.97000000E+000 +1.13330000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +3.95000000E-002 +2.57000000E+097 -2.31600000E+001 +1.53470000E+005 /
PLOG /                           +1.00000000E+000 +2.23900000E+068 -1.46500000E+001 +1.42570000E+005 /
PLOG /                           +1.00000000E+001 +8.51100000E+024 -4.97000000E+000 +1.13330000E+005 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH_R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C6H6+H<=>C6H5+H2                                  +2.50000000E+014 +0.00000000E+000 +1.60000000E+004 !\Author: WARNING !\Ref: EMDEE ET AL. J. PHYS. CHEM. 1992, 96, 2151-2161 !\Comment: WARNING 
C6H6+O2<=>C6H5+HO2                                +6.30000000E+013 +0.00000000E+000 +6.00000000E+004 !\Author: WARNING !\Ref: EMDEE ET AL. J. PHYS. CHEM. 1992, 96, 2151-2161 !\Comment: WARNING 
C6H6+O<=>C6H5+OH                                  +2.00000000E+013 +0.00000000E+000 +1.47000000E+004 !\Author: WARNING !\Ref: EMDEE ET AL. J. PHYS. CHEM. 1992, 96, 2151-2161 !\Comment: WARNING 
C6H6+OH<=>C6H5+H2O                                +1.20000000E+000 +4.10000000E+000 -3.01000000E+002 !\Author: WARNING !\Ref: CHEN&BOZ J. PHYS. CHEM. A 108 !\Comment: WARNING 
C6H6+HO2<=>C6H5+H2O2                              +5.50000000E+012 +0.00000000E+000 +2.89000000E+004 !\Author: WARNING !\Ref: ESTIMATED !\Comment: WARNING 
C6H6+CH3<=>C6H5+CH4                               +5.30000000E+002 +3.28850000E+000 +1.46010000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H5+CH2O<=>C6H6+HCO                              +8.55000000E+004 +2.19000000E+000 +3.80000000E+001 !\Author: WARNING !\Ref: CHAOS ET AL. PAPER E26 5TH US COMBUSTION MEETING(WESTERN STATES) 2007 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONH
!___________________________________________________________________________________________________________ 
FULVENE+H=C6H6+H                                  +3.04200000E+036 -5.96800000E+000 +2.74800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.32000000E-001 +4.32400000E+026 -3.44600000E+000 +1.26400000E+004 /
PLOG /                           +1.00000000E+000 +3.63000000E+031 -4.74800000E+000 +1.83900000E+004 /
PLOG /                           +1.32000000E+000 +1.83900000E+032 -4.93100000E+000 +1.93400000E+004 /
PLOG /                           +1.32000000E+001 +3.04200000E+036 -5.96800000E+000 +2.74800000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>RH+RH
!___________________________________________________________________________________________________________ 
C6H5+HCO<=>C6H6+CO                                +8.55000000E+004 +2.19000000E+000 +3.80000000E+001 !\Author: WARNING !\Ref: CHAOS ET AL. PAPER E26 5TH US COMBUSTION MEETING(WESTERN STATES) 2007 !\Comment: WARNING THIS RATE CONSTANT IS ESTIMATED POORLY IT SEEMS 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C6H5=>H+C4H2+C2H2                                 +4.30000000E+012 +6.20000000E-001 +7.72940000E+004 !\Author: WARNING !\Ref: CHAOS ET AL. PAPER E26 5TH US COMBUSTION MEETING(WESTERN STATES) 2007 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONMISC
!___________________________________________________________________________________________________________ 
C6H6+O<=>C6H5O+H                                  +2.20000000E+013 +0.00000000E+000 +4.53000000E+003 !\Author: WARNING !\Ref: ALZUETA ET AL. IJCK 32 !\Comment: WARNING 
C6H6+OH<=>C6H5OH+H                                +1.32000000E+002 +3.25000000E+000 +5.59000000E+003 !\Author: WARNING !\Ref: TAKAMASA SETA, MASAKAZU NAKAJIMA, AND AKIRA MIYOSHI J. PHYS. CHEM. A, 2006, 110(15), 5081-5090 !\Comment: WARNING 
C6H6+O<=>C5H6+CO                                  +2.23000000E+056 -1.16900000E+001 +5.55982000E+004 !\Author: WARNING !\Ref: C. A. TAATJES, ET AL, J. PHYS. CHEM. A 114(9)(2010) 3355-3370 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +7.22000000E+013 +1.20000000E-001 +1.17769000E+004 /
PLOG /                           +1.00000000E+000 +6.02000000E+015 -4.90000000E-001 +1.49930000E+004 /
PLOG /                           +1.00000000E+001 +1.38000000E+038 -6.71000000E+000 +3.46314000E+004 /
PLOG /                           +5.00000000E+001 +1.57000000E+031 -4.73000000E+000 +3.35684000E+004 /
PLOG /                           +5.00000000E+002 +2.23000000E+056 -1.16900000E+001 +5.55982000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+HO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C6H5+HO2<=>C6H5O+OH                               +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: DA COSTA ET AL. INT J CHEM KINET 35 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C6H5+O2<=>C6H5O+O                                 +2.60000000E+013 +0.00000000E+000 +6.12000000E+003 !\Author: WARNING !\Ref: FRANK ET AL. SYMP(INT) COMBUST, [PROC] 1994, 25, 833. !\Comment: WARNING 
C6H5+O2<=>O-C6H4O2+H                              +3.00000000E+013 +0.00000000E+000 +8.98000000E+003 !\Author: WARNING !\Ref: FRANK ET AL. SYMP(INT) COMBUST, [PROC] 1994, 25, 833. !\Comment: WARNING 
C6H5+O2<=>C6H5OO                                  +1.86000000E+013 -2.20000000E-001 -7.11000000E+002 !\Author: WARNING !\Ref: DA SILVA AND BOZZELLI J PHYS CHEM 112 !\Comment: WARNING 
C6H5OO<=>C6H5O+O                                  +1.27000000E+015 -2.46000000E-001 +3.85360000E+004 !\Author: WARNING !\Ref: DA SILVA AND BOZZELLI J PHYS CHEM 112 !\Comment: WARNING 
C6H5O+OH<=>C6H5OOH                                +2.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WKM ESTIMATED !\Comment: WARNING 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C6H6
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C6H5OH
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C6H5O+H(+M)<=>C6H5OH(+M)                          +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: EMDEE ET AL. J. PHYS. CHEM. 1992, 96, 2151-2161 !\Comment: WKM ESTIMATED 0.5A_2E14 
LOW /                                             +1.00000000E+094 -2.18400000E+001 +1.38800000E+004 /
TROE /                           +4.30000000E-002 +3.04200000E+002 +6.00000000E+004 +5.89600000E+003 /
C6H4OH+H<=>C6H5OH                                 +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: DA COSTA ET AL. INT J CHEM KINET 35 !\Comment: WARNING 
C6H5OH<=>C5H6+CO                                  +4.31000000E+015 -6.10000000E-001 +7.41150000E+004 !\Author: WARNING !\Ref: WKM A FACTOR *0.5 TO FIT PYROLYSIS DATA !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C6H5OH+H<=>C6H5O+H2                               +1.20000000E+014 +0.00000000E+000 +1.24000000E+004 !\Author: WARNING !\Ref: DA COSTA ET AL. INT J CHEM KINET 35 !\Comment: WARNING 
C6H5OH+O2<=>C6H5O+HO2                             +1.00000000E+013 +0.00000000E+000 +3.88000000E+004 !\Author: WARNING !\Ref: DA COSTA ET AL. INT J CHEM KINET 35 !\Comment: WARNING 
C6H5OH+O<=>C6H5O+OH                               +1.30000000E+013 +0.00000000E+000 +2.90000000E+003 !\Author: WARNING !\Ref: DA COSTA ET AL. INT J CHEM KINET 35 !\Comment: WARNING 
C6H5OH+OH<=>C6H5O+H2O                             +1.40000000E+008 +1.40000000E+000 -9.60000000E+002 !\Author: WARNING !\Ref: DA COSTA ET AL. INT J CHEM KINET 35 !\Comment: WARNING 
C6H5OH+HO2<=>C6H5O+H2O2                           +1.00000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: DA COSTA ET AL. INT J CHEM KINET 35 !\Comment: WARNING 
C6H5OH+CH3<=>C6H5O+CH4                            +1.80000000E+011 +0.00000000E+000 +7.70000000E+003 !\Author: WARNING !\Ref: DA COSTA ET AL. INT J CHEM KINET 35 !\Comment: WARNING 
C6H5OH+C3H5-A<=>C6H5O+C3H6                        +4.90000000E+011 +0.00000000E+000 +9.40000000E+003 !\Author: WARNING !\Ref: DA COSTA ET AL. INT J CHEM KINET 35 !\Comment: WARNING 
C6H5OH+C4H5-I<=>C6H5O+C4H61-3                        +4.90000000E+011 +0.00000000E+000 +9.40000000E+003 !\Author: WARNING !\Ref: DA COSTA ET AL. INT J CHEM KINET 35 !\Comment: WARNING 
C6H5OH+C6H5<=>C6H5O+C6H6                          +4.90000000E+012 +0.00000000E+000 +4.40000000E+003 !\Author: WARNING !\Ref: DA COSTA ET AL. INT J CHEM KINET 35 !\Comment: WARNING 
C6H5OH+C6H5OO<=>C6H5O+C6H5OOH                     +1.33000000E+011 +0.00000000E+000 +1.40000000E+004 !\Author: WARNING !\Ref: DA COSTA ET AL. INT J CHEM KINET 35 !\Comment: WARNING 
C6H5OH+H<=>C6H4OH+H2                              +1.70000000E+014 +0.00000000E+000 +1.60000000E+004 !\Author: WARNING !\Ref: DA COSTA ET AL. INT J CHEM KINET 35 !\Comment: WARNING 
C6H5OH+O<=>C6H4OH+OH                              +2.00000000E+013 +0.00000000E+000 +1.47000000E+004 !\Author: WARNING !\Ref: DA COSTA ET AL. INT J CHEM KINET 35 !\Comment: WARNING 
C6H5OH+OH<=>C6H4OH+H2O                            +1.40000000E+013 +0.00000000E+000 +4.60000000E+003 !\Author: WARNING !\Ref: DA COSTA ET AL. INT J CHEM KINET 35 !\Comment: WARNING 
C6H5OH+HO2<=>C6H4OH+H2O2                          +4.00000000E+011 +0.00000000E+000 +2.89000000E+004 !\Author: WARNING !\Ref: DA COSTA ET AL. INT J CHEM KINET 35 !\Comment: WARNING 
C6H5OH+CH3<=>C6H4OH+CH4                           +2.00000000E+012 +0.00000000E+000 +1.50000000E+004 !\Author: WARNING !\Ref: DA COSTA ET AL. INT J CHEM KINET 35 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C6H5O<=>CO+C5H5                                   +2.00000000E+011 +0.00000000E+000 +4.39000000E+004 !\Author: WARNING !\Ref: WKM A FACTOR REDUCED FROM 2.5E+11 TO 2.0E+11 TO FIT DATA BENZENE FLOW REACTOR DATA(LOVELL) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONO
!___________________________________________________________________________________________________________ 
C6H5OH+O<=>OC6H4OH+H                              +1.60000000E+013 +0.00000000E+000 +3.40000000E+003 !\Author: WARNING !\Ref: DA COSTA ET AL. INT J CHEM KINET 35 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C6H5O+H<=>CO+C5H6                                 +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: CHAOS ET AL. PAPER E26 5TH US COMBUSTION MEETING(WESTERN STATES) 2007 !\Comment: WARNING 
C6H5O+O<=>C5H5+CO2                                +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: CHAOS ET AL. PAPER E26 5TH US COMBUSTION MEETING(WESTERN STATES) 2007 !\Comment: WARNING 
C6H5O+O<=>OC6H4OH                                 +2.60000000E+010 +4.70000000E-001 +8.00000000E+002 !\Author: WARNING !\Ref: CHAOS ET AL. PAPER E26 5TH US COMBUSTION MEETING(WESTERN STATES) 2007 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C6H4OH+O2<=>OC6H4OH+O                             +2.10000000E+013 +0.00000000E+000 +6.10000000E+003 !\Author: WARNING !\Ref: DA COSTA ET AL. INT J CHEM KINET 35 !\Comment: WARNING 
OC6H4OH<=>C5H4OH+CO                               +7.40000000E+011 +0.00000000E+000 +4.38000000E+004 !\Author: WARNING !\Ref: DA COSTA ET AL. INT J CHEM KINET 35 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C6H5O+O<=>P-C6H4O2+H                              +4.25000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ALZUETA ET AL. INT J CHEM KINET !\Comment: WARNING 
C6H5O+O<=>O-C6H4O2+H                              +8.50000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ALZUETA ET AL. INT J CHEM KINET !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+HO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C6H5O+HO2<=>O-OC6H5OJ+OH                          +1.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: UP AND IT IS NOT SEEN IN THE EXPERIMENT !\Comment: 0.5A_2E12 
P-C6H4O2+H<=>P-OC6H5OJ                            +4.00000000E+012 +0.00000000E+000 +9.74000000E+003 !\Author: WARNING !\Ref: WKM ESTIMATED FROM METHODS DESCRIBED IN CURRAN INT J CHEM KINET 38 !\Comment: WARNING 
O-C6H4O2+H<=>O-OC6H5OJ                            +4.00000000E+012 +0.00000000E+000 +6.96000000E+003 !\Author: WARNING !\Ref: WKM ESTIMATED FROM METHODS DESCRIBED IN CURRAN INT J CHEM KINET 38 !\Comment: WARNING 
!===========================================================================================================
!\SUBSPECIES: O-C6H4O2P-C6H4O2
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
O-C6H4O2<=>C5H4O+CO                               +1.00000000E+012 +0.00000000E+000 +4.00000000E+004 !\Author: WARNING !\Ref: ALZUETA ET AL. INT J CHEM KINET !\Comment: WARNING 
P-C6H4O2<=>C5H4O+CO                               +3.70000000E+011 +0.00000000E+000 +5.90000000E+004 !\Author: WARNING !\Ref: ALZUETA ET AL. INT J CHEM KINET !\Comment: WARNING 
P-C6H3O2+H<=>P-C6H4O2                             +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ALZUETA ET AL. INT J CHEM KINET !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
P-C6H4O2+H<=>P-C6H3O2+H2                          +2.00000000E+012 +0.00000000E+000 +8.10000000E+003 !\Author: WARNING !\Ref: ALZUETA ET AL. INT J CHEM KINET !\Comment: WARNING 
P-C6H4O2+O<=>P-C6H3O2+OH                          +1.40000000E+013 +0.00000000E+000 +1.47000000E+004 !\Author: WARNING !\Ref: ALZUETA ET AL. INT J CHEM KINET !\Comment: WARNING 
P-C6H4O2+OH<=>P-C6H3O2+H2O                        +1.00000000E+006 +2.00000000E+000 +4.00000000E+003 !\Author: WARNING !\Ref: ALZUETA ET AL. INT J CHEM KINET !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONMISC
!___________________________________________________________________________________________________________ 
P-C6H4O2+H<=>C5H5O+CO                             +2.50000000E+013 +0.00000000E+000 +4.70000000E+003 !\Author: WARNING !\Ref: ALZUETA ET AL. INT J CHEM KINET !\Comment: WARNING 
P-C6H4O2+O=>2CO+C2H2+CH2CO                        +3.00000000E+013 +0.00000000E+000 +5.00000000E+003 !\Author: WARNING !\Ref: CHAOS ET AL. PAPER E26 5TH US COMBUSTION MEETING(WESTERN STATES) 2007 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>PRODUCTS
!___________________________________________________________________________________________________________ 
P-C6H3O2+H=>2C2H2+2CO                             +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ALZUETA ET AL. INT J CHEM KINET !\Comment: WARNING 
P-C6H3O2+O=>C2H2+HCCO+2CO                         +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ALZUETA ET AL. INT J CHEM KINET !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: O-C6H4O2P-C6H4O2
!===========================================================================================================
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C6H5OH
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C5H6
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: AROMATIC_GROWTH
!___________________________________________________________________________________________________________ 
C5H6+C2H3<=>C6H6+CH3                              +2.10000000E+067 -1.60800000E+001 +4.24600000E+004 !\Author: WARNING !\Ref: ZHONG & BOZZELI J PHYS CHEM A 102 !\Comment: WARNING 
C5H5+C5H6=>IND+CH3                                +3.15000000E+025 -3.93500000E+000 +2.31080000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5+C5H6=>C6H6+C4H5-N                            +3.00000000E+029 -4.51500000E+000 +4.08730000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5+C5H6=>C6H5C2H3+C2H3                          +2.40000000E+065 -1.42000000E+001 +7.46450000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5+C5H5=>C10H9+H                                +5.24000000E+014 -8.53000000E-001 +3.65000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5+C5H5<=>C10H10                                +8.00000000E+012 +0.00000000E+000 +3.00000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C5H7+O2<=>OC5H7O                                  +8.90000000E+024 -3.80000000E+000 +2.00000000E+004 !\Author: WARNING !\Ref: PRIVATE COMMUNICATION WITH BOZZELLI(ZHONG'S THESIS) !\Comment: WARNING 
OC5H7O+O2<=>OC4H6O+HOCO                           +6.30000000E+005 -7.25000000E+000 +3.36000000E+004 !\Author: WARNING !\Ref: PRIVATE COMMUNICATION WITH BOZZELLI(ZHONG'S THESIS) !\Comment: WARNING 
OC4H6O+H<=>OC4H5O+H2                              +2.30000000E+010 +1.05000000E+000 +3.27900000E+003 !\Author: WARNING !\Ref: PRIVATE COMMUNICATION WITH BOZZELLI(ZHONG'S THESIS) !\Comment: WARNING 
OC4H6O+OH<=>OC4H5O+H2O                            +3.50000000E+009 +1.18000000E+000 -4.47000000E+002 !\Author: WARNING !\Ref: PRIVATE COMMUNICATION WITH BOZZELLI(ZHONG'S THESIS) !\Comment: WARNING 
OC4H5O+O2<=>O2CCHOOJ+C2H4                         +1.60000000E+045 -9.92000000E+000 +2.06700000E+004 !\Author: WARNING !\Ref: PRIVATE COMMUNICATION WITH BOZZELLI(ZHONG'S THESIS) !\Comment: WARNING 
O2CCHOOJ<=>HOCO+CO2                               +3.00000000E+013 +0.00000000E+000 +4.00000000E+003 !\Author: WARNING !\Ref: PRIVATE COMMUNICATION WITH BOZZELLI(ZHONG'S THESIS) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>RH+RH
!___________________________________________________________________________________________________________ 
C5H4OH+H<=>C5H4O+H2                               +2.10000000E+013 +0.00000000E+000 +5.40000000E+004 !\Author: WARNING !\Ref: ALZUETA & GLARBORG IJCK 32 !\Comment: WARNING 
C5H4OH+O2<=>C5H4O+HO2                             +3.00000000E+013 +0.00000000E+000 +5.00000000E+003 !\Author: WARNING !\Ref: ALZUETA & GLARBORG IJCK 32 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C#CCVCCJ=C5H5                                     +1.84000000E+094 -2.44000000E+001 +7.93000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H3+C2H2=C5H5                                    +2.02000000E+042 -9.10000000E+000 +2.70000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E+000 +3.58000000E+058 -1.42000000E+001 +3.17000000E+004 /
PLOG /                           +1.00000000E+001 +3.20000000E+044 -9.90000000E+000 +2.62000000E+004 /
PLOG /                           +1.00000000E+002 +2.02000000E+042 -9.10000000E+000 +2.70000000E+004 /
C3H3+C2H2=C#CCVCCJ                                +1.51000000E+032 -6.00000000E+000 +2.26000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E+000 +2.68000000E+045 -1.03000000E+001 +2.56000000E+004 /
PLOG /                           +1.00000000E+001 +4.62000000E+036 -7.50000000E+000 +2.28000000E+004 /
PLOG /                           +1.00000000E+002 +1.51000000E+032 -6.00000000E+000 +2.26000000E+004 /
C#CCVCCJ+H<=>C5H6-L                               +1.00000000E+010 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LINDSTEDT C&F 99 !\Comment: WARNING 
C5H6-L+O<=>C#CCVCCJ+OH                            +1.00000000E+010 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LINDSTEDT C&F 99 !\Comment: WARNING 
C5H6-L+OH<=>C#CCVCCJ+H2O                          +1.00000000E+010 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LINDSTEDT C&F 99 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C5H5+H(+M)<=>C5H6(+M)                             +2.60000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: CHAOS ET AL. PAPER E26 5TH US COMBUSTION MEETING(WESTERN STATES) 2007 !\Comment: WARNING 
LOW /                                             +4.40000000E+080 -1.82800000E+001 +1.29940000E+004 /
TROE /                           +6.80000000E-002 +4.00700000E+002 +4.13600000E+003 +5.50200000E+003 /
CO / +1.5000 / CO2 / +2.0000 / H2 / +2.0000 / CH4 / +2.0000 / H2O / +6.0000 / 
C5H6(+M)<=>C3H4-A+C2H2(+M)                        +3.80000000E+017 +0.00000000E+000 +1.04000000E+005 !\Author: WARNING !\Ref: MACKIE ET AL. PHYS CHEM CHEM PHYS 3 2467 2001 !\Comment: WARNING 
LOW /                                             +1.00000000E+098 -2.22500000E+001 +1.26321500E+005 /
TROE /                           +1.44100000E-001 +5.35800000E+000 +3.28400000E+003 +6.71000000E+009 /
CO / +1.5000 / CO2 / +2.0000 / CH4 / +2.0000 / H2 / +2.0000 / H2O / +6.0000 / 
C#CCVCCJ+H<=>C5H6                                 +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: LIN J COMPUT CHEM 21 415-425 2000 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C5H5+HO2<=>C5H5O+OH                               +6.30000000E+028 -4.69000000E+000 +1.16500000E+004 !\Author: WARNING !\Ref: RISTORI ET AL. COMBUST. SCI. AND TECH 2001. VOL. 167. PP. 223-256 !\Comment: A-FACTOR / 10 
C5H5+O2<=>C4H4O+HCO                               +6.00000000E+017 -2.48000000E+000 +1.09700000E+004 !\Author: WARNING !\Ref: ZHONG & BOZZELI J PHYS CHEM A 102 !\Comment: A-FACTOR / 10 
C5H5+O<=>C4H5-N+CO                                +3.20000000E+013 -1.70000000E-001 +4.40000000E+002 !\Author: WARNING !\Ref: ZHONG & BOZZELI J PHYS CHEM A 102 !\Comment: WARNING 
C5H5+O<=>C5H4O+H                                  +5.80000000E+013 -2.00000000E-002 +2.00000000E+001 !\Author: WARNING !\Ref: ZHONG & BOZZELI J PHYS CHEM A 102 !\Comment: WARNING 
C5H5+OH<=>C5H5OH                                  +6.50000000E+014 -8.50000000E-001 -2.73000000E+003 !\Author: WARNING !\Ref: ZHONG & BOZZELI J PHYS CHEM A 102 !\Comment: WARNING 
DUP
C5H5+OH<=>C5H5OH                                  +1.10000000E+043 -8.76000000E+000 +1.87300000E+004 !\Author: WARNING !\Ref: ZHONG & BOZZELI J PHYS CHEM A 102 !\Comment: WARNING 
DUP
C5H5+OH<=>C5H5OH                                  +1.10000000E+059 -1.30800000E+001 +3.34500000E+004 !\Author: WARNING !\Ref: ZHONG & BOZZELI J PHYS CHEM A 102 !\Comment: WARNING 
DUP
C5H5+OH<=>C5H4OH+H                                +3.50000000E+057 -1.21800000E+001 +4.83500000E+004 !\Author: WARNING !\Ref: ZHONG & BOZZELI J PHYS CHEM A 102 !\Comment: WARNING 
C5H5+OH<=>C4H61-3+CO                                 +4.00000000E+014 +0.00000000E+000 +4.50000000E+003 !\Author: WARNING !\Ref: ZHONG & BOZZELI J PHYS CHEM A 102 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>RH+RH
!___________________________________________________________________________________________________________ 
C5H7+H<=>C5H6+H2                                  +3.60000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ALZUETA & GLARBORG IJCK 32 !\Comment: WARNING 
C5H7+O<=>C5H6+OH                                  +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ALZUETA & GLARBORG IJCK 32 !\Comment: WARNING 
C5H7+OH<=>C5H6+H2O                                +2.40000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: PRIVATE COMMUNICATION WITH BOZZELLI(ZHONG'S THESIS) !\Comment: WARNING 
C5H6+HO2<=>C5H7+O2                                +1.30000000E+015 -1.07000000E+000 +9.53000000E+003 !\Author: WARNING !\Ref: ZHONG & BOZZELI J PHYS CHEM A 102 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C5H6+H<=>C5H5+H2                                  +7.20000000E+013 +0.00000000E+000 +3.50000000E+003 !\Author: WARNING !\Ref: ROY AND FRANK, 21ST INTERNATIONAL SYMPOSIUM ON SHOCKWAVES, 1997 PPER 1560 !\Comment: WARNING 
C5H6+O2<=>C5H5+HO2                                +4.00000000E+013 +0.00000000E+000 +3.71500000E+004 !\Author: WARNING !\Ref: ZHONG & BOZZELI J PHYS CHEM A 102 !\Comment: WARNING 
C5H6+O<=>C5H5+OH                                  +4.80000000E+004 +2.71000000E+000 +1.10000000E+003 !\Author: WARNING !\Ref: ZHONG & BOZZELI J PHYS CHEM A 102 !\Comment: WARNING 
C5H6+OH<=>C5H5+H2O                                +3.08000000E+006 +2.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ZHONG & BOZZELI J PHYS CHEM A 102 !\Comment: WARNING 
C5H6+HO2<=>C5H5+H2O2                              +1.10000000E+004 +2.60000000E+000 +1.29000000E+004 !\Author: WARNING !\Ref: ZHONG & BOZZELI J PHYS CHEM A 102 !\Comment: WARNING 
C5H6+CH3<=>C5H5+CH4                               +1.80000000E-001 +4.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ZHONG & BOZZELI J PHYS CHEM A 102 !\Comment: WARNING 
C5H6+HCO<=>C5H5+CH2O                              +1.08000000E+008 +1.90000000E+000 +1.60000000E+004 !\Author: WARNING !\Ref: ZHONG & BOZZELI J PHYS CHEM A 102 !\Comment: WARNING 
C5H6+C2H3<=>C5H5+C2H4                             +1.20000000E-001 +4.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ZHONG & BOZZELI J PHYS CHEM A 102 !\Comment: WARNING 
C5H6+C3H5-A<=>C5H5+C3H6                           +5.50000000E+010 +0.00000000E+000 +5.50500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING NOTED IN MEHL MECHANISM SAYS THIS WAS DIVIDED BY 2 
C5H6+C4H5-I<=>C5H5+C4H61-3                           +6.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: EMDEE ET AL. J. PHYS. CHEM. 1992, 96, 2151-2161 !\Comment: WARNING 
C5H6+C4H5-N<=>C5H5+C4H61-3                           +6.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: KPS !\Ref: ADOPTED FROM MEHL AROMATIC !\Comment: WARNING 
C5H6+C6H5<=>C5H5+C6H6                             +1.00000000E-001 +4.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ZHONG & BOZZELI J PHYS CHEM A 102 !\Comment: WARNING 
C5H6+C6H5O<=>C5H5+C6H5OH                          +3.16000000E+011 +0.00000000E+000 +8.00000000E+003 !\Author: WARNING !\Ref: EMDEE ET AL. J. PHYS. CHEM. 1992, 96, 2151-2161 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONMISC
!___________________________________________________________________________________________________________ 
C3H5-A+C2H2<=>C5H6+H                              +1.26000000E+043 -8.65400000E+000 +5.74430000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +3.53000000E+028 -4.99300000E+000 +2.03410000E+004 /
PLOG /                           +1.00000000E-003 +9.44000000E+017 -1.92800000E+000 +2.83920000E+004 /
PLOG /                           +1.00000000E-002 +6.50000000E+025 -4.20500000E+000 +1.89320000E+004 /
PLOG /                           +1.00000000E-002 +6.82000000E+016 -1.62500000E+000 +2.75480000E+004 /
PLOG /                           +1.00000000E-001 +1.12000000E+028 -4.84800000E+000 +2.01490000E+004 /
PLOG /                           +1.00000000E-001 +2.25000000E+021 -2.88800000E+000 +3.07150000E+004 /
PLOG /                           +1.00000000E+000 +3.08000000E+033 -6.38000000E+000 +2.40010000E+004 /
PLOG /                           +1.00000000E+000 +7.56000000E+028 -4.95400000E+000 +3.71630000E+004 /
PLOG /                           +1.00000000E+001 +1.50000000E+040 -8.21000000E+000 +3.04020000E+004 /
PLOG /                           +1.00000000E+001 +5.47000000E+036 -7.05000000E+000 +4.61580000E+004 /
PLOG /                           +1.00000000E+002 +1.26000000E+043 -8.65400000E+000 +5.74430000E+004 /
PLOG /                           +1.00000000E+002 +1.60000000E+046 -9.75300000E+000 +3.93060000E+004 /
C5H6+H<=>C5H7                                     +2.40000000E+073 -1.78500000E+001 +3.15000000E+004 !\Author: WARNING !\Ref: ZHONG & BOZZELI J PHYS CHEM A 102 !\Comment: WARNING 
C5H6+O<=>C5H5O+H                                  +8.90000000E+012 -1.50000000E-001 +5.90000000E+002 !\Author: WARNING !\Ref: ZHONG & BOZZELI J PHYS CHEM A 102 !\Comment: WARNING 
DUP
C5H6+O<=>C5H5O+H                                  +5.60000000E+012 -6.00000000E-002 +2.00000000E+002 !\Author: WARNING !\Ref: ZHONG & BOZZELI J PHYS CHEM A 102 !\Comment: WARNING 
DUP
C5H6+H<=>CVCCJCVC                                 +1.10000000E+014 -1.60000000E-001 +3.10000000E+003 !\Author: WARNING !\Ref: ZHONG & BOZZELI J PHYS CHEM A 102 !\Comment: WARNING 
C5H6+OH<=>CVCCJCVCOH                              +1.10000000E+013 -7.00000000E-002 +8.70000000E+002 !\Author: WARNING !\Ref: ZHONG & BOZZELI J PHYS CHEM A 102 !\Comment: WARNING 
CVCCJCVCOH+O2<=>HOCVCCVO+CH2CHO                   +1.20000000E+036 -7.25000000E+000 +3.36000000E+004 !\Author: WARNING !\Ref: PRIVATE COMMUNICATION WITH BOZZELLI(ZHONG'S THESIS) !\Comment: WARNING 
!===========================================================================================================
!\SUBSPECIES: C5H7
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C5H7<=>CVCCJCVC                                   +3.20000000E+015 +0.00000000E+000 +3.95000000E+004 !\Author: WARNING !\Ref: ARENDS ET AL. J PHYS CHEM 97 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CVCCJCVC+O2<=>C2H3CHO+CH2CHO                      +1.20000000E+036 -7.25000000E+000 +3.36000000E+004 !\Author: WARNING !\Ref: PRIVATE COMMUNICATION WITH BOZZELLI(ZHONG'S THESIS) !\Comment: WARNING 
CVCCJCVC+O<=>C2H3CHO+C2H3                         +2.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: MARINOV ET AL. COMBUST SCI TECH 116 !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: C5H7
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: CVCCCVC
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CVCCJCVC+H<=>C4H5-N+CH3                           +2.90000000E+026 -2.18000000E+000 +3.67700000E+004 !\Author: WARNING !\Ref: MARINOV ET AL. COMBUST SCI TECH 116 !\Comment: WARNING RATE CONSTANT HAS STRANGE REVERSE RATE CONSTANT 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>PRODUCTS
!___________________________________________________________________________________________________________ 
CVCCJCVC+OH<=>CVCCVCCOH                           +1.50000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: PRIVATE COMMUNICATION WITH BOZZELLI(ZHONG'S THESIS) !\Comment: WARNING 
CVCCJCVC+O2<=>CH2CHCHCHO+CH2O                     +8.20000000E+010 +1.80000000E-001 +9.14000000E+003 !\Author: WARNING !\Ref: PRIVATE COMMUNICATION WITH BOZZELLI(ZHONG'S THESIS) !\Comment: WARNING 
CVCCVCCOH+H<=>C4H61-3+CH2OH                          +2.50000000E+034 -6.12000000E+000 +1.62500000E+004 !\Author: WARNING !\Ref: PRIVATE COMMUNICATION WITH BOZZELLI(ZHONG'S THESIS) !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: CVCCCVC
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: HOCVCCVO
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
HOCVCCVO+OH<=>HOCVCCJVO+H2O                       +2.69000000E+010 +7.60000000E-001 -3.40000000E+002 !\Author: WARNING !\Ref: PRIVATE COMMUNICATION WITH BOZZELLI(ZHONG'S THESIS) !\Comment: WARNING 
HOCVCCVO+HO2<=>HOCVCCJVO+H2O2                     +1.00000000E+012 +0.00000000E+000 +1.19200000E+004 !\Author: WARNING !\Ref: PRIVATE COMMUNICATION WITH BOZZELLI(ZHONG'S THESIS) !\Comment: WARNING 
HOCVCCVO+CH3<=>HOCVCCJVO+CH4                      +3.98000000E+012 +0.00000000E+000 +8.70000000E+003 !\Author: WARNING !\Ref: PRIVATE COMMUNICATION WITH BOZZELLI(ZHONG'S THESIS) !\Comment: WARNING 
HOCVCCVO+O<=>HOCVCCJVO+OH                         +7.18000000E+012 +0.00000000E+000 +1.38900000E+003 !\Author: WARNING !\Ref: PRIVATE COMMUNICATION WITH BOZZELLI(ZHONG'S THESIS) !\Comment: WARNING 
HOCVCCVO+O2<=>HOCVCCJVO+HO2                       +2.00000000E+013 +0.00000000E+000 +4.07000000E+004 !\Author: WARNING !\Ref: PRIVATE COMMUNICATION WITH BOZZELLI(ZHONG'S THESIS) !\Comment: WARNING 
HOCVCCVO+H<=>HOCVCCJVO+H2                         +2.60000000E+012 +0.00000000E+000 +2.60000000E+003 !\Author: WARNING !\Ref: PRIVATE COMMUNICATION WITH BOZZELLI(ZHONG'S THESIS) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ALPHA_SCISSION
!___________________________________________________________________________________________________________ 
C2H2OH+CO<=>HOCVCCJVO                             +1.51000000E+011 +0.00000000E+000 +4.81000000E+003 !\Author: WARNING !\Ref: WKM ANALOGY TO C2H5+CO<=>C2H5CO !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: HOCVCCVO
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: C5H5OH
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C5H4OH+H<=>C5H5OH                                 +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ALZUETA & GLARBORG IJCK 32 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C5H5OH+H<=>C5H5O+H2                               +4.00000000E+013 +0.00000000E+000 +6.09400000E+003 !\Author: WARNING !\Ref: PRIVATE COMMUNICATION WITH BOZZELLI(ZHONG'S THESIS) !\Comment: WARNING 
C5H5OH+O<=>C5H5O+OH                               +1.00000000E+013 +0.00000000E+000 +4.68300000E+003 !\Author: WARNING !\Ref: PRIVATE COMMUNICATION WITH BOZZELLI(ZHONG'S THESIS) !\Comment: WARNING 
C5H5OH+OH<=>C5H5O+H2O                             +1.00000000E+013 +0.00000000E+000 +1.69700000E+003 !\Author: WARNING !\Ref: PRIVATE COMMUNICATION WITH BOZZELLI(ZHONG'S THESIS) !\Comment: WARNING 
C5H5OH+HO2<=>C5H5O+H2O2                           +1.00000000E+013 +0.00000000E+000 +1.58000000E+004 !\Author: WARNING !\Ref: PRIVATE COMMUNICATION WITH BOZZELLI(ZHONG'S THESIS) !\Comment: WARNING 
C5H5OH+H<=>C5H4OH+H2                              +3.20000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: PRIVATE COMMUNICATION WITH BOZZELLI(ZHONG'S THESIS) !\Comment: WARNING 
C5H5OH+O<=>C5H4OH+OH                              +4.70000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: PRIVATE COMMUNICATION WITH BOZZELLI(ZHONG'S THESIS) !\Comment: WARNING 
C5H5OH+OH<=>C5H4OH+H2O                            +5.50000000E+012 +0.00000000E+000 +1.73100000E+003 !\Author: WARNING !\Ref: PRIVATE COMMUNICATION WITH BOZZELLI(ZHONG'S THESIS) !\Comment: WARNING 
C5H5OH+HO2<=>C5H4OH+H2O2                          +3.60000000E+003 +2.55000000E+000 +1.05310000E+004 !\Author: WARNING !\Ref: PRIVATE COMMUNICATION WITH BOZZELLI(ZHONG'S THESIS) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C5H5O<=>C5H4O+H                                   +2.90000000E+032 -6.50000000E+000 +2.12200000E+004 !\Author: WARNING !\Ref: PRIVATE COMMUNICATION WITH BOZZELLI(ZHONG'S THESIS) !\Comment: WARNING 
C5H5O<=>C4H5-N+CO                                 +1.10000000E+079 -1.96200000E+001 +6.62500000E+004 !\Author: WARNING !\Ref: PRIVATE COMMUNICATION WITH BOZZELLI(ZHONG'S THESIS) !\Comment: WARNING 
C5H5O<=>CJVCCVCCVO                                +2.00000000E+013 +0.00000000E+000 +1.43380000E+004 !\Author: WARNING !\Ref: PRIVATE COMMUNICATION WITH BOZZELLI(ZHONG'S THESIS) !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C5H5O+O2<=>C5H4O+HO2                              +6.00000000E+010 +0.00000000E+000 +1.60000000E+003 !\Author: KPS !\Ref: ADDED FROM MEHL AROMATIC !\Comment: WARNING WAS NOT PRESENT IN PREVIOUS VERSIONS OF GALWAY AROMATIC 
!===========================================================================================================
!\ENDSUBSPECIES: C5H5OH
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: CJVCCVCCVO
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
CJVCCVCCVO<=>CVCCVCCJVO                           +4.30000000E+011 -1.05000000E+000 +4.11800000E+003 !\Author: WARNING !\Ref: ESTIMATED FROM METHODS DESCRIBED IN CURRAN'S N-HEPTANE C&F 114 !\Comment: WARNING 
C4H5-N+CO<=>CVCCVCCJVO                            +1.51000000E+011 +0.00000000E+000 +4.81000000E+003 !\Author: WARNING !\Ref: WKM ANALOGY TO C2H5+CO<=>C2H5CO !\Comment: WARNING 
CJVCCVCCVO<=>C2H2+CJVCCVO                         +3.00000000E+013 +0.00000000E+000 +4.37100000E+004 !\Author: WARNING !\Ref: SAKAI ET AL PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 411-418 !\Comment: WARNING 
CJVCCVO<=>C2H3CO                                  +1.40000000E+009 +9.80000000E-001 +3.21000000E+004 !\Author: WARNING !\Ref: SAKAI ET AL PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 411-418 !\Comment: WARNING 
C2H2+HCO<=>CJVCCVO                                +7.77000000E+006 +1.41000000E+000 +7.75500000E+003 !\Author: WARNING !\Ref: SAKAI ET AL PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 411-418 !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: CJVCCVCCVO
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: C5H4O
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C5H4O=>CO+C2H2+C2H2                               +5.70000000E+032 -6.76000000E+000 +6.85000000E+004 !\Author: WARNING !\Ref: WANG AND BREZINSKY J PHYS CHEM A 102 !\Comment: WARNING 
DUP
C5H4O=>CO+C2H2+C2H2                               +6.20000000E+041 -7.87000000E+000 +9.87000000E+004 !\Author: WARNING !\Ref: WANG AND BREZINSKY J PHYS CHEM A 102 !\Comment: WARNING 
DUP
C5H3O+H<=>C5H4O                                   +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ALZUETA & GLARBORG IJCK 30 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C5H4O+H<=>C5H3O+H2                                +2.00000000E+012 +0.00000000E+000 +8.10000000E+003 !\Author: WARNING !\Ref: ALZUETA & GLARBORG IJCK 30 !\Comment: WARNING 
C5H4O+O<=>C5H3O+OH                                +1.40000000E+013 +0.00000000E+000 +1.47000000E+003 !\Author: WARNING !\Ref: ALZUETA & GLARBORG IJCK 30 !\Comment: WARNING 
C5H4O+OH<=>C5H3O+H2O                              +1.10000000E+008 +1.42000000E+000 +1.45000000E+003 !\Author: WARNING !\Ref: ALZUETA & GLARBORG IJCK 30 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C5H3O=>C2H2+CO+C2H                                +2.00000000E+013 +0.00000000E+000 +5.10000000E+004 !\Author: WARNING !\Ref: ALZUETA & GLARBORG IJCK 30 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C5H3O+O2=>CO2+C2H2+HCCO                           +9.70000000E+058 -1.34700000E+001 +3.81800000E+004 !\Author: WARNING !\Ref: CHAOS ET AL. PAPER E26 5TH US COMBUSTION MEETING(WESTERN STATES) 2007 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONMISC
!___________________________________________________________________________________________________________ 
C5H4O+H<=>C4H5-N+CO                               +2.10000000E+061 -1.32700000E+001 +4.08100000E+004 !\Author: WARNING !\Ref: PRIVATE COMMUNICATION WITH BOZZELLI(ZHONG'S THESIS) !\Comment: WARNING 
C5H4O+O<=>C4H4+CO2                                +1.00000000E+013 +0.00000000E+000 +2.00000000E+003 !\Author: WARNING !\Ref: ALZUETA & GLARBORG IJCK 30 !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: C5H4O
!===========================================================================================================
!===========================================================================================================
!\SUBSPECIES: C4H4O
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONMISC
!___________________________________________________________________________________________________________ 
C4H4O+H<=>C3H5-A+CO                               +6.60000000E+013 -2.00000000E-002 +2.74000000E+003 !\Author: WARNING !\Ref: ALZUETA ET AL. INT J CHEM KINET !\Comment: WARNING C4H4O IS DUPLICATE SPECIES 
DUP
C4H4O+H<=>C3H5-A+CO                               +5.90000000E+006 +2.00000000E+000 +1.30000000E+003 !\Author: WARNING !\Ref: ALZUETA ET AL. INT J CHEM KINET !\Comment: WARNING C4H4O IS DUPLICATE SPECIES 
DUP
C4H4O+O<=>CH2CHO+HCCO                             +3.00000000E+008 +1.45000000E+000 -8.60000000E+002 !\Author: WARNING !\Ref: ALZUETA ET AL. INT J CHEM KINET !\Comment: WARNING C4H4O IS DUPLICATE SPECIES 
C4H4O+OH<=>C3H5-A+CO2                             +3.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: ALZUETA ET AL. INT J CHEM KINET !\Comment: WARNING C4H4O IS DUPLICATE SPECIES 
C4H4O+OH=>C2H2+HCCO+H2O                           +2.02000000E+013 +0.00000000E+000 +5.93300000E+003 !\Author: KPS !\Ref: !PITZ2001 !\Comment: WARNING ADDED BY KPS ON 06 / 08 / 2015 WAS MISSING FROM GALWAY VERSIONS OF AROMATICS 
!===========================================================================================================
!\ENDSUBSPECIES: C4H4O
!===========================================================================================================
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C5H6
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C6H5CH3
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C6H5CH3(+M)<=>C6H5CH2+H(+M)                       +2.78000000E+015 +1.70000000E-001 +9.11680000E+004 !\Author: WARNING !\Ref: KLIPPENSTEIN ET AL PROC. COMBUST. INST 31(2007) 221-229 !\Comment: WARNING 
LOW /                                             +1.00000000E+098 -2.28550000E+001 +9.98820000E+004 /
TROE /                           +6.54719400E-002 +1.51125300E+001 +9.99999600E+009 +7.59612300E+007 /
C6H5CH3(+M)<=>C6H5+CH3(+M)                        +1.95000000E+027 -3.16000000E+000 +1.07447000E+005 !\Author: WARNING !\Ref: KLIPPENSTEIN ET AL PROC. COMBUST. INST 31(2007) 221-229 !\Comment: WARNING 
LOW /                                             +1.00000000E+098 -2.29660000E+001 +1.22080000E+005 /
TROE /                           +7.05456200E-001 +9.99998900E+009 +4.59918000E+002 +8.21393800E+009 /
C6H4CH3+H(+M)<=>C6H5CH3(+M)                       +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: !REF \YUAN ET AL COMBUSTION AND FLAME 2015 162 !\Ref: WARNING !\Comment: WARNING 
LOW /                                             +6.60000000E+075 -1.63000000E+001 +7.00000000E+003 /
TROE /                           +1.00000000E+000 +1.00000000E-001 +5.84900000E+002 +6.11300000E+003 /
CO / +1.5000 / CH4 / +2.0000 / H2 / +2.0000 / CO2 / +2.0000 / C2H6 / +3.0000 / H2O / +6.0000 / 
C6H5CH2+H<=>C6H5+CH3                              +8.85000000E+068 -1.42300000E+001 +7.84100000E+004 !\Author: WARNING !\Ref: !S. J. KLIPPENSTEIN, L. B. HARDING, Y. GEORGIEVSKII, PC31(2007) 221-229. \COMMENT !\Comment: WARNING 
PLOG /                           +3.95000000E-002 +4.50000000E+058 -1.19000000E+001 +5.18600000E+004 /
PLOG /                           +1.32000000E-001 +2.03000000E+064 -1.33700000E+001 +5.95200000E+004 /
PLOG /                           +1.00000000E+000 +5.83000000E+067 -1.41500000E+001 +6.83300000E+004 /
PLOG /                           +1.00000000E+001 +8.85000000E+068 -1.42300000E+001 +7.84100000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C6H5CH3+H<=>C6H5CH2+H2                            +6.47000000E+000 +3.98000000E+000 +3.38400000E+003 !\Author: WARNING !\Ref: !OEHSCHLAGER C&F(2006)195-208 !\Comment: WARNING 
C6H5CH3+O<=>C6H5CH2+OH                            +1.18000000E+000 +4.09000000E+000 +2.54541000E+003 !\Author: WARNING !\Ref: !NARAYANASWAMY ET AL. COMBUSTION AND FLAME 157(2010) 1879-1898 !\Comment: WARNING 
C6H5CH3+OH<=>C6H5CH2+H2O                          +1.31000000E+005 +2.39000000E+000 -1.90000000E+003 !\Author: WARNING !\Ref: !AUTHOR !\Comment: TEMPERATURE DEPENDENCE CHANGED BY YJZ 
C6H5CH3+O2<=>C6H5CH2+HO2                          +4.36000000E+007 +2.50000000E+000 +4.60450000E+004 !\Author: WARNING !\Ref: !OEHSCHLAGER C&F(2006)195-208 !\Comment: 2A_2.18E7 
C6H5CH3+HO2<=>C6H5CH2+H2O2                        +1.46000000E-001 +4.12000000E+000 +1.28000000E+004 !\Author: WARNING !\Ref: !CHONGWEN ZHOU ET AL, CNF, 2016 !\Comment: ANALOGY TO IC4H8+HO2<=>IC4H7+H2O2 A-FACTOR / 2 
C6H5CH3+CH3<=>C6H5CH2+CH4                         +4.22000000E+014 +0.00000000E+000 +2.22562100E+004 !\Author: WARNING !\Ref: !COMMENT !\Comment: WARNING 
C6H5CH3+CH3O2<=>C6H5CH2+CH3O2H                    +7.30000000E-002 +4.12000000E+000 +1.28000000E+004 !\Author: WARNING !\Ref: !COMMENT !\Comment: WARNING 
C6H5CH3+HCO<=>C6H5CH2+CH2O                        +3.77000000E+013 +0.00000000E+000 +2.37874000E+004 !\Author: WARNING !\Ref: !SAKAI ET AL PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 411-418 !\Comment: WARNING 
C6H5CH3+C2H3<=>C6H5CH2+C2H4                       +4.00000000E+012 +0.00000000E+000 +8.00000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CH3+C3H5-A<=>C6H5CH2+C3H6                     +3.97000000E+011 +0.00000000E+000 +2.05000000E+004 !\Author: WARNING !\Ref: BASEMECH !\Comment: ANALOGY TO IC4H8+C3H5-A<=>IC4H7+C3H6 A-FACTOR / 2 
C6H5CH3+C3H3<=>C6H5CH2+C3H4-P                     +3.97000000E+011 +0.00000000E+000 +2.05000000E+004 !\Author: WARNING !\Ref: BASEMECH !\Comment: ANALOGY TO IC4H8+C3H5-A<=>IC4H7+C3H6 A-FACTOR / 2 
C6H5CH3+C4H5-I<=>C6H5CH2+C4H61-3                     +3.97000000E+011 +0.00000000E+000 +2.05000000E+004 !\Author: WARNING !\Ref: BASEMECH !\Comment: ANALOGY TO IC4H8+C3H5-A<=>IC4H7+C3H6 A-FACTOR / 2 
C6H5CH3+C4H5-N<=>C6H5CH2+C4H61-3                     +3.97000000E+011 +0.00000000E+000 +2.05000000E+004 !\Author: WARNING !\Ref: BASEMECH !\Comment: ANALOGY TO IC4H8+C3H5-A<=>IC4H7+C3H6 A-FACTOR / 2 
C6H5CH3+C5H5<=>C6H5CH2+C5H6                       +5.43000000E+012 +0.00000000E+000 +2.09230000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C6H5CH3+C6H5<=>C6H5CH2+C6H6                       +2.68000000E-001 +3.95000000E+000 +8.77060000E+002 !\Author: WARNING !\Ref: !W. K. METCALFE ET AL. ENERGY & FUELS 25(2011) 4915-4936 !\Comment: WARNING 
C6H5CH3+C6H5O<=>C6H5CH2+C6H5OH                    +5.43000000E+012 +0.00000000E+000 +2.09230000E+004 !\Author: WARNING !\Ref: !SAKAI ET AL PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 411-418 !\Comment: WARNING 
C6H5CH3+C6H4CH3<=>C6H5CH2+C6H5CH3                 +7.90000000E+013 +0.00000000E+000 +1.20000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CH3+C6H5OO<=>C6H5CH2+C6H5OOH                  +1.02000000E+004 +2.50000000E+000 +1.23000000E+004 !\Author: WARNING !\Ref: !HERBINET PCI 2013 297-305\COMMENT !\Comment: WARNING 
C6H5CH3+OC6H4CH3<=>C6H5CH2+HOC6H4CH3              +8.00000000E+010 +0.00000000E+000 +1.51000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CH3+C6H5CH2OO<=>C6H5CH2+BZCOOH                +4.00000000E+011 +0.00000000E+000 +1.40000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CH3+C6H5CH2O<=>C6H5CH2+C6H5CH2OH              +5.43000000E+012 +0.00000000E+000 +2.09230000E+004 !\Author: WARNING !\Ref: !Y. SAKAI ET AL. PCI32(2009) 411-418\COMMENT !\Comment: WARNING 
C6H5CH3+HOC6H4CH2<=>C6H5CH2+HOC6H4CH3             +1.60000000E+011 +0.00000000E+000 +1.51000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CH3+H<=>C6H4CH3+H2                            +3.91000000E+008 +1.80000000E+000 +1.63527700E+004 !\Author: WARNING !\Ref: !NARAYANASWAMY ET AL. COMBUSTION AND FLAME 157(2010) 1879-1898 !\Comment: WARNING 
C6H5CH3+O<=>C6H4CH3+OH                            +2.60000000E+013 +0.00000000E+000 +1.46988500E+004 !\Author: WARNING !\Ref: !NARAYANASWAMY ET AL. COMBUSTION AND FLAME 157(2010) 1879-1898 \COMMENT !\Comment: WARNING 
C6H5CH3+OH<=>C6H4CH3+H2O                          +5.30000000E+004 +2.69100000E+000 +3.00000000E+003 !\Author: WARNING !\Ref: !AUTHOR !\Comment: WARNING 
C6H5CH3+HO2<=>C6H4CH3+H2O2                        +3.61000000E+012 +0.00000000E+000 +3.09820000E+004 !\Author: WARNING !\Ref: !M. ALTARAWNEH CNF 2010\COMMENT !\Comment: WARNING 
C6H5CH3+CH3<=>C6H4CH3+CH4                         +2.18500000E-004 +5.00000000E+000 +1.23000000E+004 !\Author: WARNING !\Ref: !SAKAI ET AL. PCI 2009 32 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C5H5+C2H2<=>C6H5CH2                               +1.83000000E-002 +4.42000000E+000 +4.17000000E+004 !\Author: WARNING !\Ref: !SILVA ET AL. JPCA 2010 114 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.50000000E+021 -2.88000000E+000 +3.12100000E+004 /
PLOG /                           +1.00000000E-001 +1.01000000E+017 -1.35000000E+000 +3.33500000E+004 /
PLOG /                           +1.00000000E+000 +7.57000000E+007 +1.50000000E+000 +3.44200000E+004 /
PLOG /                           +1.00000000E+001 +1.41000000E+005 +2.37000000E+000 +3.86200000E+004 /
PLOG /                           +1.00000000E+002 +1.83000000E-002 +4.42000000E+000 +4.17000000E+004 /
C7H6+H<=>C6H5CH2                                  +1.12000000E-006 +6.25000000E+000 +6.04000000E+003 !\Author: WARNING !\Ref: !SILVA ET AL. JPCA 2010 114 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.97000000E+022 -2.30000000E+000 +8.44000000E+003 /
PLOG /                           +1.00000000E-001 +1.34000000E+018 -9.90000000E-001 +8.71000000E+003 /
PLOG /                           +1.00000000E+000 +4.37000000E+012 +6.70000000E-001 +8.42000000E+003 /
PLOG /                           +1.00000000E+001 +3.38000000E+001 +4.01000000E+000 +6.21000000E+003 /
PLOG /                           +1.00000000E+002 +1.12000000E-006 +6.25000000E+000 +6.04000000E+003 /
C5H5+C2H2<=>C7H6+H                                +1.15000000E-044 +1.70700000E+001 +2.24600000E+004 !\Author: WARNING !\Ref: !SILVA ET AL. JPCA 2010 114 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +7.07000000E+001 +3.42000000E+000 +2.87400000E+004 /
PLOG /                           +1.00000000E-001 +1.58000000E-001 +4.18000000E+000 +2.96700000E+004 /
PLOG /                           +1.00000000E+000 +6.96000000E-005 +5.17000000E+000 +3.09300000E+004 /
PLOG /                           +1.00000000E+001 +2.37000000E-006 +5.60000000E+000 +3.35400000E+004 /
PLOG /                           +1.00000000E+002 +1.15000000E-044 +1.70700000E+001 +2.24600000E+004 /
C7H6<=>C7H5+H                                     +1.17000000E+027 -3.54000000E+000 +8.91500000E+004 !\Author: WARNING !\Ref: !D. POLINO, C. CAVALLOTTI, JPC A 115(2011) 10281-10289.\COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +1.02000000E+116 -2.84600000E+001 +1.57860000E+005 /
PLOG /                           +1.00000000E+000 +4.90000000E+066 -1.46400000E+001 +1.19550000E+005 /
PLOG /                           +1.00000000E+001 +1.17000000E+027 -3.54000000E+000 +8.91500000E+004 /
C7H6+H<=>C7H5+H2                                  +1.90000000E+008 +1.84700000E+000 +4.96500000E+003 !\Author: WARNING !\Ref: !G. DA SILVA, J. W. BOZZELLI, J. PHYS. CHEM. A 113(2009) 12045-12048. \COMMENT !\Comment: WARNING 
C7H6+OH<=>C7H5+H2O                                +1.20000000E+005 +2.62100000E+000 -5.15000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H6+CH3<=>C7H5+CH4                               +1.87000000E+004 +2.72400000E+000 +6.00800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C7H5<=>C4H2+C3H3                                  +2.40000000E+056 -1.16500000E+001 +1.06750000E+005 !\Author: WARNING !\Ref: !M. DERUDI, D. POLINO, C. CAVALLOTTI, PCCP, 13(2011) 21308-21318 \COMMENT !\Comment: WARNING 
PLOG /                           +1.30000000E-002 +8.71000000E+092 -2.30800000E+001 +1.17070000E+005 /
PLOG /                           +1.30000000E-001 +1.82000000E+102 -2.52200000E+001 +1.30330000E+005 /
PLOG /                           +1.00000000E+000 +8.51000000E+082 -1.91800000E+001 +1.25340000E+005 /
PLOG /                           +1.00000000E+001 +2.40000000E+056 -1.16500000E+001 +1.06750000E+005 /
C4H3-N+C3H3<=>C7H6                                +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: !Y. SAKAI ET AL. PCI32(2009) 411-418 \COMMENT !\Comment: WARNING 
C6H5CH3+H<=>C6H6+CH3                              +9.49400000E+005 +2.00000000E+000 +9.44000000E+002 !\Author: WARNING !\Ref: !ELLIS, C.; SCOTT, M.S.; WALKER, R.W., COMBUST. FLAME 132, 291-304(2003) \COMMENT !\Comment: WARNING 
C6H4CH3<=>L-C6H4+CH3                              +1.66000000E+030 -4.31800000E+000 +8.57569000E+004 !\Author: WARNING !\Ref: !YUAN ET AL. CNF 2015 162 !\Comment: WARNING 
PLOG /                           +5.00000000E-001 +6.11000000E+045 -8.85700000E+000 +9.43506000E+004 /
PLOG /                           +1.00000000E+000 +8.00000000E+041 -7.72000000E+000 +9.23003000E+004 /
PLOG /                           +1.00000000E+001 +1.66000000E+030 -4.31800000E+000 +8.57569000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONO
!___________________________________________________________________________________________________________ 
C6H5CH3+O<=>OC6H4CH3+H                            +1.66000000E+007 +1.80000000E+000 +3.97400000E+003 !\Author: WARNING !\Ref: YUAN ET AL. CNF 2015 !\Comment: WARNING 
C6H5CH3+O<=>HOC6H4CH3                             +3.51000000E+031 -4.73000000E+000 +3.84286000E+004 !\Author: WARNING !\Ref: !YUAN ET AL. CNF 2015 !\Comment: WARNING 
C6H5CH3+O<=>C5H5CH3+CO                            +6.02000000E+015 -4.90000000E-001 +1.49930000E+004 !\Author: WARNING !\Ref: !SAKAI ET AL PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 411-418 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONOH
!___________________________________________________________________________________________________________ 
C6H5CH3+OH<=>HOC6H4CH3+H                          +3.14000000E+001 +3.36500000E+000 +4.71910000E+003 !\Author: WARNING !\Ref: !TAKAMASA SETA, MASAKAZU NAKAJIMA, AND AKIRA MIYOSHIJ. PHYS. CHEM. A, 2006, 110(15), 5081-5090 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C6H5CH2+O<=>C6H5CHO+H                             +2.11000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: !SAKAI ET AL PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 411-418 !\Comment: WARNING 
C6H5CH2+O<=>C6H5+CH2O                             +5.95000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: !Y. SAKAI ET AL. PCI32(2009) 411-418 !\Comment: 0.5A_1.19E14 
C6H5CH2+O<=>C6H5CH2O                              +2.28000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: \REF !\Ref: WARNING !\Comment: WARNING 
C6H4CH3+O<=>OC6H4CH3                              +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C6H5CH2+O2<=>C6H5CH2OO                            +9.37400000E+029 -5.79500000E+000 +5.59174300E+003 !\Author: WARNING !\Ref: NEW CALCULATION BY METTAL AND KLIPPENSTEIN !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +6.85000000E+044 -1.10000000E+001 +7.88465400E+003 /
PLOG /                           +1.00000000E+000 +8.48900000E+040 -9.43100000E+000 +8.30274500E+003 /
PLOG /                           +1.00000000E+001 +9.37400000E+029 -5.79500000E+000 +5.59174300E+003 /
C6H5CH2OO<=>C6H5CHO+OH                            +2.71800000E+000 +3.00400000E+000 +2.47311500E+004 !\Author: WARNING !\Ref: NEW CALCULATION BY METTAL AND KLIPPENSTEIN !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +1.62200000E+007 -1.77000000E-001 +2.29659760E+004 /
PLOG /                           +1.00000000E+000 +1.77400000E+001 +2.34900000E+000 +2.34529500E+004 /
PLOG /                           +1.00000000E+001 +2.71800000E+000 +3.00400000E+000 +2.47311500E+004 /
C6H5CH2+O2<=>C6H5CHO+OH                           +1.20100000E+008 +1.02200000E+000 +1.44988490E+004 !\Author: WARNING !\Ref: NEW CALCULATION BY METTAL AND KLIPPENSTEIN !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +1.01800000E+002 +2.67600000E+000 +9.04467700E+003 /
PLOG /                           +1.00000000E+000 +6.22000000E+005 +1.62200000E+000 +1.18580620E+004 /
PLOG /                           +1.00000000E+001 +1.20100000E+008 +1.02200000E+000 +1.44988490E+004 /
C6H5CH2+O2<=>C6H5CH2O+O                           +6.30000000E+012 +0.00000000E+000 +4.00000000E+004 !\Author: WARNING !\Ref: BREZYNSKY84 !\Comment: WARNING 
C6H4CH3+O2<=>O-C6H4O2+CH3                         +3.00000000E+013 +0.00000000E+000 +9.00000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H4CH3+O2=>O-O2C6H4CH3                           +1.47000000E+184 -5.02400000E+001 +9.20400000E+004 !\Author: SILVA ET AL. JPC, 2007, 111 !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.13000000E+090 -2.79800000E+001 -1.89000000E+003 /
PLOG /                           +1.00000000E-001 +6.51000000E+107 -3.20500000E+001 +1.22200000E+004 /
PLOG /                           +1.00000000E+000 +3.21000000E+132 -3.80800000E+001 +3.39600000E+004 /
PLOG /                           +1.00000000E+001 +6.57000000E+179 -4.96800000E+001 +8.16600000E+004 /
PLOG /                           +1.00000000E+002 +1.47000000E+184 -5.02400000E+001 +9.20400000E+004 /
O-O2C6H4CH3=>C6H4CH3+O2                           +9.47000000E+041 -8.01000000E+000 +5.97700000E+004 !\Author: SILVA ET AL. JPC, 2007, 111 !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.60000000E+027 -5.34000000E+000 +4.44200000E+004 /
PLOG /                           +1.00000000E-001 +2.78000000E+029 -5.55000000E+000 +4.51600000E+004 /
PLOG /                           +1.00000000E+000 +1.52000000E+034 -6.56000000E+000 +4.87900000E+004 /
PLOG /                           +1.00000000E+001 +3.27000000E+041 -8.25000000E+000 +5.60500000E+004 /
PLOG /                           +1.00000000E+002 +9.47000000E+041 -8.01000000E+000 +5.97700000E+004 /
C6H4CH3+O2<=>OC6H4CH3+O                           +1.52000000E+043 -8.30000000E+000 +2.91000000E+004 !\Author: SILVA ET AL. JPC, 2007, 111 !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.62000000E+018 -1.61000000E+000 +5.06000000E+003 /
PLOG /                           +1.00000000E-001 +4.99000000E+018 -1.68000000E+000 +5.32000000E+003 /
PLOG /                           +1.00000000E+000 +9.18000000E+020 -2.30000000E+000 +7.37000000E+003 /
PLOG /                           +1.00000000E+001 +7.27000000E+043 -4.72000000E+000 +1.56000000E+004 /
PLOG /                           +1.00000000E+002 +1.52000000E+043 -8.30000000E+000 +2.91000000E+004 /
C6H4CH3+O2<=>OC6H4CH2+OH                          +3.72000000E+040 -7.77000000E+000 +2.49400000E+004 !\Author: SILVA ET AL. JPC, 2007, 111 !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.48000000E+009 +6.50000000E-001 -4.20000000E+003 /
PLOG /                           +1.00000000E-001 +4.98000000E+009 +6.00000000E-001 -4.06000000E+003 /
PLOG /                           +1.00000000E+000 +3.70000000E+012 -1.80000000E-001 -1.52000000E+003 /
PLOG /                           +1.00000000E+001 +1.74000000E+024 -3.36000000E+000 +8.98000000E+003 /
PLOG /                           +1.00000000E+002 +3.72000000E+040 -7.77000000E+000 +2.49400000E+004 /
O-O2C6H4CH3<=>OC6H4CH3+O                          +3.00000000E+038 -7.15000000E+000 +5.11400000E+004 !\Author: SILVA ET AL. JPC, 2007, 111 !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.76000000E+024 -4.67000000E+000 +3.27500000E+004 /
PLOG /                           +1.00000000E-001 +2.28000000E+029 -5.69000000E+000 +3.63200000E+004 /
PLOG /                           +1.00000000E+000 +3.05000000E+037 -7.61000000E+000 +4.36600000E+004 /
PLOG /                           +1.00000000E+001 +1.64000000E+043 -8.82000000E+000 +5.08800000E+004 /
PLOG /                           +1.00000000E+002 +3.00000000E+038 -7.15000000E+000 +5.11400000E+004 /
O-O2C6H4CH3<=>OC6H4CH2+OH                         +6.02000000E+033 -6.25000000E+000 +3.94700000E+004 !\Author: SILVA ET AL. JPC, 2007, 111 !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.58000000E+029 -6.60000000E+000 +2.35700000E+004 /
PLOG /                           +1.00000000E-001 +3.91000000E+038 -8.69000000E+000 +3.21400000E+004 /
PLOG /                           +1.00000000E+000 +2.03000000E+045 -1.01700000E+001 +4.02200000E+004 /
PLOG /                           +1.00000000E+001 +2.14000000E+044 -9.50000000E+000 +4.34400000E+004 /
PLOG /                           +1.00000000E+002 +6.02000000E+033 -6.25000000E+000 +3.94700000E+004 /
OC6H4CH2<=>C6H6+CO                                +6.31000000E+014 +0.00000000E+000 +6.71600000E+004 !\Author: WARNING !\Ref: !YUAN ET AL. CNF 2015 3-21 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+RO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C6H5CH2+CH3O2<=>C6H5CH2O+CH3O                     +8.20000000E+004 +2.20000000E+000 -5.13000000E+003 !\Author: WARNING !\Ref: !COMMENT !\Comment: WARNING 
C6H5CH2+C2H5O2<=>C6H5CH2O+C2H5O                   +8.20000000E+004 +2.20000000E+000 -5.13000000E+003 !\Author: WARNING !\Ref: !COMMENT !\Comment: WARNING 
C6H4CH3+HO2<=>OC6H4CH3+OH                         +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2_RO2_PRODUCTS
!___________________________________________________________________________________________________________ 
C6H5CH2OO+C6H5CH2OO=>C6H5CH2OH+C6H5CHO+O2         +1.40000000E+010 +0.00000000E+000 -7.25000000E+002 !\Author: WARNING !\Ref: !HERBINET ET AL. 2013 PCI !\Comment: WARNING 
C6H5CH2OO+C6H5CH2OO=>2C6H5CH2O+O2                 +6.30000000E+010 +0.00000000E+000 -7.25000000E+002 !\Author: WARNING !\Ref: !HERBINET ET AL. 2013 PCI !\Comment: WARNING 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C6H5CH3
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: BZCOOH
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
BZCOOH<=>C6H5CH2O+OH                              +3.09000000E+032 -5.15000000E+000 +4.86000000E+004 !\Author: WARNING !\Ref: 2009DAS /BOZ287-294 !COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +3.27000000E+070 -1.79000000E+001 +5.72000000E+004 /
PLOG /                           +1.00000000E-003 +2.21000000E+034 -8.25000000E+000 +5.55000000E+004 /
PLOG /                           +1.00000000E-002 +2.00000000E+069 -1.71000000E+001 +5.89000000E+004 /
PLOG /                           +1.00000000E-002 +2.72000000E+039 -9.37000000E+000 +5.92000000E+004 /
PLOG /                           +1.00000000E-001 +3.24000000E+064 -1.53000000E+001 +5.90000000E+004 /
PLOG /                           +1.00000000E-001 +3.51000000E+042 -9.88000000E+000 +6.27000000E+004 /
PLOG /                           +1.00000000E+000 +1.65000000E+055 -1.23000000E+001 +5.67000000E+004 /
PLOG /                           +1.00000000E+000 +8.58000000E+039 -8.72000000E+000 +6.38000000E+004 /
PLOG /                           +1.00000000E+001 +1.36000000E+043 -8.44000000E+000 +5.27000000E+004 /
PLOG /                           +1.00000000E+001 +7.85000000E+030 -5.73000000E+000 +6.16000000E+004 /
PLOG /                           +1.00000000E+002 +3.09000000E+032 -5.15000000E+000 +4.86000000E+004 /
PLOG /                           +1.00000000E+002 +8.96000000E+019 -2.30000000E+000 +5.78000000E+004 /
BZCOOH<=>C6H5CHO+H2O                              +3.02000000E+018 -1.76000000E+000 +4.99000000E+004 !\Author: WARNING !\Ref: 2009DAS /BOZ287-294 !COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +2.51000000E+053 -1.36000000E+001 +5.68000000E+004 /
PLOG /                           +1.00000000E-002 +2.28000000E+053 -1.32000000E+001 +5.90000000E+004 /
PLOG /                           +1.00000000E-001 +4.55000000E+049 -1.17000000E+001 +5.97000000E+004 /
PLOG /                           +1.00000000E+000 +1.24000000E+041 -8.86000000E+000 +5.78000000E+004 /
PLOG /                           +1.00000000E+001 +1.74000000E+029 -5.10000000E+000 +5.39000000E+004 /
PLOG /                           +1.00000000E+002 +3.02000000E+018 -1.76000000E+000 +4.99000000E+004 /
BZCOOH<=>C6H5CHOH+OH                              +1.19000000E+020 -1.97000000E+000 +5.47000000E+004 !\Author: WARNING !\Ref: 2009DAS /BOZ287-294 !COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +6.85000000E+041 -1.01000000E+001 +5.54000000E+004 /
PLOG /                           +1.00000000E-002 +6.49000000E+045 -1.08000000E+001 +5.91000000E+004 /
PLOG /                           +1.00000000E-001 +3.63000000E+046 -1.06000000E+001 +6.17000000E+004 /
PLOG /                           +1.00000000E+000 +2.97000000E+041 -8.77000000E+000 +6.17000000E+004 /
PLOG /                           +1.00000000E+001 +1.19000000E+031 -5.40000000E+000 +5.87000000E+004 /
PLOG /                           +1.00000000E+002 +1.19000000E+020 -1.97000000E+000 +5.47000000E+004 /
C6H5CH2+HO2<=>BZCOOH                              +5.17000000E+015 -1.05000000E+000 -1.30000000E+003 !\Author: WARNING !\Ref: 2009DAS /BOZ287-294 !COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +3.24000000E+019 -3.89000000E+000 -6.40000000E+003 /
PLOG /                           +1.00000000E-002 +1.62000000E+022 -4.37000000E+000 -5.15000000E+003 /
PLOG /                           +1.00000000E-001 +1.09000000E+027 -5.43000000E+000 -1.91000000E+003 /
PLOG /                           +1.00000000E+000 +6.18000000E+029 -5.84000000E+000 +1.36000000E+003 /
PLOG /                           +1.00000000E+001 +2.69000000E+025 -4.19000000E+000 +1.57000000E+003 /
PLOG /                           +1.00000000E+002 +5.17000000E+015 -1.05000000E+000 -1.30000000E+003 /
C6H5CH2+HO2<=>C6H5CH2O+OH                         +1.30000000E+013 +2.30000000E-001 +6.95000000E+003 !\Author: WARNING !\Ref: 2009DAS /BOZ287-294 !COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +3.44000000E+005 +2.12000000E+000 -4.99000000E+003 /
PLOG /                           +1.00000000E-003 +8.27000000E-016 +7.25000000E+000 -3.08000000E+003 /
PLOG /                           +1.00000000E-002 +2.79000000E+006 +1.86000000E+000 -4.40000000E+003 /
PLOG /                           +1.00000000E-002 +2.37000000E-015 +7.12000000E+000 -2.79000000E+003 /
PLOG /                           +1.00000000E-001 +7.55000000E+009 +8.80000000E-001 -2.07000000E+003 /
PLOG /                           +1.00000000E-001 +4.56000000E-013 +6.47000000E+000 -1.27000000E+003 /
PLOG /                           +1.00000000E+000 +1.49000000E+015 -7.30000000E-001 +2.43000000E+003 /
PLOG /                           +1.00000000E+000 +3.50000000E-008 +4.97000000E+000 +2.66000000E+003 /
PLOG /                           +1.00000000E+001 +2.29000000E+018 -1.40000000E+000 +6.51000000E+003 /
PLOG /                           +1.00000000E+001 +3.89000000E-003 +3.74000000E+000 +7.40000000E+003 /
PLOG /                           +1.00000000E+002 +1.30000000E+013 +2.30000000E-001 +6.95000000E+003 /
PLOG /                           +1.00000000E+002 +9.22000000E-006 +4.62000000E+000 +9.14000000E+003 /
C6H5CH2+HO2<=>C6H5CHO+H2O                         +1.86000000E-002 +3.85000000E+000 +7.17000000E+003 !\Author: WARNING !\Ref: 2009DAS /BOZ287-294 !COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.92000000E-010 +5.85000000E+000 -4.87000000E+003 /
PLOG /                           +1.00000000E-002 +1.36000000E-009 +5.61000000E+000 -4.32000000E+003 /
PLOG /                           +1.00000000E-001 +2.77000000E-006 +4.67000000E+000 -2.08000000E+003 /
PLOG /                           +1.00000000E+000 +1.65000000E+000 +3.05000000E+000 +2.38000000E+003 /
PLOG /                           +1.00000000E+001 +1.57000000E+003 +2.31000000E+000 +6.56000000E+003 /
PLOG /                           +1.00000000E+002 +1.86000000E-002 +3.85000000E+000 +7.17000000E+003 /
C6H5CH2+HO2<=>C6H5CHOH+OH                         +6.01000000E-004 +4.48000000E+000 +8.26000000E+003 !\Author: WARNING !\Ref: 2009DAS /BOZ287-294 !COMMENT !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +2.62000000E-013 +6.91000000E+000 -3.98000000E+003 /
PLOG /                           +1.00000000E-002 +1.05000000E-012 +6.73000000E+000 -3.59000000E+003 /
PLOG /                           +1.00000000E-001 +5.36000000E-010 +5.96000000E+000 -1.78000000E+003 /
PLOG /                           +1.00000000E+000 +2.18000000E-004 +4.39000000E+000 +2.41000000E+003 /
PLOG /                           +1.00000000E+001 +2.18000000E+000 +3.34000000E+000 +6.97000000E+003 /
PLOG /                           +1.00000000E+002 +6.01000000E-004 +4.48000000E+000 +8.26000000E+003 /
C6H5CH2OO+H<=>C6H5CH2O+OH                         +3.80000000E+014 -1.90000000E-001 +1.89000000E+003 !\Author: WARNING !\Ref: !SILVA ET AL., J CHEM THEORY COMPUT 2009 3191- \COMMENT !\Comment: WARNING 
C6H5CH2OO+H<=>BZCOOH                              +4.35000000E+060 -1.59200000E+001 +1.14000000E+004 !\Author: WARNING !\Ref: !SILVA ET AL., J CHEM THEORY COMPUT 2009 3191- \COMMENT !\Comment: WARNING 
C6H5CH2OO+H<=>C6H5CH2+HO2                         +1.96000000E+004 +2.47000000E+000 +1.43000000E+003 !\Author: WARNING !\Ref: !SILVA ET AL., J CHEM THEORY COMPUT 2009 3191- \COMMENT !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C6H5CH2O<=>C6H5CHO+H                              +2.44000000E+017 -1.30700000E+000 +1.95400000E+004 !\Author: WARNING !\Ref: !G. DA SILVA AND J W. BOZZELLI 2009 JPC 113 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.04000000E+032 -6.66500000E+000 +2.18800000E+004 /
PLOG /                           +1.00000000E-001 +6.13000000E+031 -6.26100000E+000 +2.23600000E+004 /
PLOG /                           +1.00000000E+000 +5.26000000E+028 -5.08100000E+000 +2.22500000E+004 /
PLOG /                           +1.00000000E+001 +1.68000000E+022 -2.90100000E+000 +2.07600000E+004 /
PLOG /                           +1.00000000E+002 +2.44000000E+017 -1.30700000E+000 +1.95400000E+004 /
C6H5CH2O<=>C6H5+CH2O                              +1.08000000E+021 -2.05700000E+000 +3.33100000E+004 !\Author: WARNING !\Ref: !G. DA SILVA AND J W. BOZZELLI 2009 JPC 113 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.59000000E+043 -9.51300000E+000 +3.90500000E+004 /
PLOG /                           +1.00000000E-001 +2.88000000E+038 -7.78600000E+000 +3.77700000E+004 /
PLOG /                           +1.00000000E+000 +7.21000000E+033 -6.21000000E+000 +3.68500000E+004 /
PLOG /                           +1.00000000E+001 +1.32000000E+027 -4.00900000E+000 +3.50700000E+004 /
PLOG /                           +1.00000000E+002 +1.08000000E+021 -2.05700000E+000 +3.33100000E+004 /
C6H5CH2O<=>C6H6+HCO                               +2.04000000E+028 -4.57600000E+000 +2.92000000E+004 !\Author: WARNING !\Ref: !G. DA SILVA AND J W. BOZZELLI 2009 JPC 113 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.57000000E+031 -6.21500000E+000 +2.57600000E+004 /
PLOG /                           +1.00000000E-001 +5.27000000E+031 -6.15300000E+000 +2.68800000E+004 /
PLOG /                           +1.00000000E+000 +2.37000000E+032 -6.09500000E+000 +2.88100000E+004 /
PLOG /                           +1.00000000E+001 +3.82000000E+031 -5.66300000E+000 +2.98400000E+004 /
PLOG /                           +1.00000000E+002 +2.04000000E+028 -4.57600000E+000 +2.92000000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C6H5CH2OO+HO2<=>BZCOOH+O2                         +2.00000000E+011 +0.00000000E+000 -1.30000000E+003 !\Author: WARNING !\Ref: !HERBINET ET AL. 2013 PCI !\Comment: WARNING 
BZCOOH+H=>C6H5CHO+H2+OH                           +6.47000000E+000 +3.98000000E+000 +3.38400000E+003 !\Author: WARNING !\Ref: !ERGUT ET AL COMBUSTION AND FLAME 144(2006) 757-772 !\Comment: WARNING 
BZCOOH+OH=>C6H5CHO+H2O+OH                         +3.00000000E+005 +2.39000000E+000 -6.02000000E+002 !\Author: WARNING !\Ref: !ERGUT ET AL COMBUSTION AND FLAME 144(2006) 757-772 !\Comment: WARNING 
BZCOOH+O2=>C6H5CHO+HO2+OH                         +2.18000000E+007 +2.50000000E+000 +4.60450000E+004 !\Author: WARNING !\Ref: !ERGUT ET AL COMBUSTION AND FLAME 144(2006) 757-772 !\Comment: WARNING 
BZCOOH+HO2=>C6H5CHO+H2O2+OH                       +2.45000000E-005 +5.26000000E+000 +7.47510000E+003 !\Author: WARNING !\Ref: BOUNACEUR ET AL !INT J CHEM KINET 37 !\Comment: WARNING 
BZCOOH+CH3=>C6H5CHO+CH4+OH                        +2.93900000E+011 +0.00000000E+000 +9.24500000E+003 !\Author: WARNING !\Ref: BOUNACEUR ET AL !INT J CHEM KINET 37 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>RH+RH
!___________________________________________________________________________________________________________ 
C6H5CH2O+H<=>C6H5CHO+H2                           +1.33000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: !K. NARAYANASWAMY, G. BLANQUART, H. PITSCH 2010 CNF 157 !\Comment: WARNING 
C6H5CH2O+O<=>C6H5CHO+OH                           +6.67000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: !K. NARAYANASWAMY, G. BLANQUART, H. PITSCH 2010 CNF 157 !\Comment: WARNING 
C6H5CH2O+OH<=>C6H5CHO+H2O                         +3.33000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: !K. NARAYANASWAMY, G. BLANQUART, H. PITSCH 2010 CNF 157 !\Comment: WARNING 
C6H5CH2O+O2<=>C6H5CHO+HO2                         +6.00000000E+010 +0.00000000E+000 +1.60000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: BZCOOH
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C6H5CHO
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C6H5CHO<=>C6H5CO+H                                +4.00000000E+015 +0.00000000E+000 +8.37000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5+HCO<=>C6H5CHO                                +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C6H5CHO+O2<=>C6H5CO+HO2                           +6.02000000E+013 +0.00000000E+000 +3.91500000E+004 !\Author: WARNING !\Ref: BASEMECH !\Comment: ANALOGY TO CH3CHO+O2<=>CH3CO+HO2 2A_3.01E13 
C6H5CHO+H<=>C6H5CO+H2                             +1.31000000E+005 +2.58000000E+000 +1.22000000E+003 !\Author: WARNING !\Ref: BASEMECH !\Comment: ANALOGY TO CH3CHO+H<=>CH3CO+H2 
C6H5CHO+O<=>C6H5CO+OH                             +5.94000000E+012 +0.00000000E+000 +1.86800000E+003 !\Author: WARNING !\Ref: BASEMECH !\Comment: ANALOGY TO CH3CHO+O<=>CH3CO+OH 
C6H5CHO+OH<=>C6H5CO+H2O                           +3.37000000E+012 +0.00000000E+000 -6.19000000E+002 !\Author: WARNING !\Ref: !BASEMECH !\Comment: ANALOGY TO CH3CHO+OH<=>CH3CO+H2O 
C6H5CHO+HO2<=>C6H5CO+H2O2                         +3.01000000E+012 +0.00000000E+000 +1.19200000E+004 !\Author: WARNING !\Ref: !BASEMECH !\Comment: ANALOGY TO CH3CHO+HO2<=>CH3CO+H2O2 
C6H5CHO+CH3<=>C6H5CO+CH4                          +1.00000000E-006 +5.60000000E+000 +1.50000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: 0.5A_2E-6 
C6H5CHO+C2H5<=>C6H5CO+C2H6                        +1.30000000E+012 +0.00000000E+000 +7.50000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CHO+C3H5-A<=>C6H5CO+C3H6                      +1.30000000E+012 +0.00000000E+000 +1.15000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CHO+C4H5-I<=>C6H5CO+C4H61-3                      +1.30000000E+012 +0.00000000E+000 +1.15000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CHO+C4H5-N<=>C6H5CO+C4H61-3                      +1.30000000E+012 +0.00000000E+000 +7.50000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CHO+C5H5<=>C6H5CO+C5H6                        +1.30000000E+011 +0.00000000E+000 +1.15000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CHO+C6H5<=>C6H5CO+C6H6                        +1.30000000E+011 +0.00000000E+000 +1.15000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CHO+C6H5CH2<=>C6H5CO+C6H5CH3                  +1.30000000E+011 +0.00000000E+000 +1.15000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CHO+C6H5O<=>C6H5CO+C6H5OH                     +1.30000000E+011 +0.00000000E+000 +1.15000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CHO+OC6H4CH3<=>C6H5CO+HOC6H4CH3               +1.30000000E+011 +0.00000000E+000 +1.15000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CHO+HOC6H4CH2<=>C6H5CO+HOC6H4CH3              +1.30000000E+011 +0.00000000E+000 +1.15000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONMISC
!___________________________________________________________________________________________________________ 
C6H5CHO+H<=>C6H6+HCO                              +5.80000000E+013 +0.00000000E+000 +8.10000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5+CH2O<=>C6H5CHO+H                             +2.91000000E+004 +2.09000000E+000 -4.11000000E+002 !\Author: KPS !\Ref: ADDED FROM MEHL AROMATIC ON 06 / 08 / 2014 !\Comment: WAS MISSING FROM ARAMCO MECHANISM WARNING 
C6H5CHO+OH<=>C6H5+HOCHO                           +3.00000000E+015 -1.07600000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: BASEMECH !\Comment: ANALOGY TO CH3CHO+OH<=>CH3+HOCHO 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ALPHA_SCISSION
!___________________________________________________________________________________________________________ 
C6H5+CO<=>C6H5CO                                  +1.70000000E+012 +6.30000000E-001 +1.69000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C6H5CHO
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: HOC6H4CH3
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: UNIMOL
!___________________________________________________________________________________________________________ 
OC6H4CH3+H<=>HOC6H4CH3                            +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CH2+H<=>HOC6H4CH3                           +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H4CH3+OH<=>HOC6H4CH3                            +3.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: !SAKAI ET AL. PCI 2009 32 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH_R_ABSTRACTION
!___________________________________________________________________________________________________________ 
HOC6H4CH3+O2<=>OC6H4CH3+HO2                       +1.00000000E+013 +0.00000000E+000 +3.89000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CH3+H<=>OC6H4CH3+H2                         +1.20000000E+014 +0.00000000E+000 +1.24000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CH3+O<=>OC6H4CH3+OH                         +1.30000000E+013 +0.00000000E+000 +2.90000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CH3+OH<=>OC6H4CH3+H2O                       +1.40000000E+008 +1.40000000E+000 -9.60000000E+002 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CH3+HO2<=>OC6H4CH3+H2O2                     +1.00000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CH3+CH3<=>OC6H4CH3+CH4                      +1.80000000E+011 +0.00000000E+000 +7.70000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CH3+C6H5<=>OC6H4CH3+C6H6                    +4.90000000E+012 +0.00000000E+000 +4.40000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CH3+C5H5<=>OC6H4CH3+C5H6                    +4.90000000E+011 +0.00000000E+000 +9.40000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CH3+C3H5-A<=>OC6H4CH3+C3H6                  +4.90000000E+011 +0.00000000E+000 +9.40000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CH3+C4H5-I<=>OC6H4CH3+C4H61-3                  +4.90000000E+011 +0.00000000E+000 +9.40000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CH3+C4H5-N<=>OC6H4CH3+C4H61-3                  +4.90000000E+011 +0.00000000E+000 +9.40000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CH3+C6H5O<=>OC6H4CH3+C6H5OH                 +4.90000000E+011 +0.00000000E+000 +9.40000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CH3+C6H4CH3<=>OC6H4CH3+C6H5CH3              +7.90000000E+013 +0.00000000E+000 +1.20000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CH3+O2<=>HOC6H4CH2+HO2                      +2.18000000E+007 +2.50000000E+000 +4.60450000E+004 !\Author: WARNING !\Ref: OEHSCHLAGER C&F(2006)195-208 !\Comment: !MM 
HOC6H4CH3+H<=>HOC6H4CH2+H2                        +1.20000000E+014 +0.00000000E+000 +8.40000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CH3+O<=>HOC6H4CH2+OH                        +6.30000000E+011 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CH3+OH<=>HOC6H4CH2+H2O                      +5.20000000E+009 +1.00000000E+000 +8.70000000E+002 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CH3+HO2<=>HOC6H4CH2+H2O2                    +4.00000000E+011 +0.00000000E+000 +1.40000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CH3+CH3<=>HOC6H4CH2+CH4                     +1.60000000E+012 +0.00000000E+000 +1.11000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CH3+C3H5-A<=>HOC6H4CH2+C3H6                 +1.60000000E+012 +0.00000000E+000 +1.51000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CH3+C3H3<=>HOC6H4CH2+C3H4-P                 +1.60000000E+012 +0.00000000E+000 +1.51000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CH3+C4H5-I<=>HOC6H4CH2+C4H61-3                 +1.60000000E+012 +0.00000000E+000 +1.51000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CH3+C4H5-N<=>HOC6H4CH2+C4H61-3                 +1.60000000E+012 +0.00000000E+000 +1.11000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CH3+C5H5<=>HOC6H4CH2+C5H6                   +1.60000000E+011 +0.00000000E+000 +1.51000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CH3+C6H5<=>HOC6H4CH2+C6H6                   +7.90000000E+013 +0.00000000E+000 +1.20000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CH3+C6H5O<=>HOC6H4CH2+C6H5OH                +1.60000000E+011 +0.00000000E+000 +1.51000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CH3+OC6H4CH3<=>HOC6H4CH2+HOC6H4CH3          +1.60000000E+011 +0.00000000E+000 +1.51000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CH3+C6H5CH2OO<=>HOC6H4CH2+BZCOOH            +4.00000000E+011 +0.00000000E+000 +1.40000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CH3+C6H5CH2O<=>HOC6H4CH2+C6H5CH2OH          +1.60000000E+011 +0.00000000E+000 +1.11000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONH
!___________________________________________________________________________________________________________ 
HOC6H4CH3+H<=>C6H5OH+CH3                          +5.80000000E+013 +0.00000000E+000 +8.10000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
OC6H4CH3=>C6H6+CO+H                               +7.60000000E+011 +0.00000000E+000 +4.38000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+HO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
HOC6H4CH2+HO2<=>HOC6H4CH2O+OH                     +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: MODIFIED BY MEHL 
OC6H4CH3+HO2<=>OCH3C6H4O+OH                       +8.21000000E+004 +2.20000000E+000 -5.13000000E+003 !\Author: WARNING !\Ref: !COMMENT !\Comment: WARNING 
OCH3C6H4O<=>C5H4O+CH3CO                           +3.00000000E+013 +0.00000000E+000 +3.50000000E+004 !\Author: WARNING !\Ref: !COMMENT !\Comment: WARNING 
OCH3C6H4O<=>O-C6H4O2+CH3                          +1.00000000E+013 +0.00000000E+000 +2.50000000E+004 !\Author: WARNING !\Ref: !MM ADDED IN ANALOGY TO C6H5O+HO2 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>PRODUCTS
!___________________________________________________________________________________________________________ 
HOC6H4CH2+CH3<=>C6H5OH+C2H4                       +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
HOC6H4CH2+O2<=>HOC6H4CH2OO                        +4.60000000E+011 +0.00000000E+000 -3.80000000E+002 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CH2+O2<=>HOC6H4CH2O+O                       +6.30000000E+012 +0.00000000E+000 +4.00000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CH2OO<=>HOC6H4CHO+OH                        +3.40000000E+009 +1.00000000E+000 +3.75000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CH2O<=>HOC6H4CHO+H                          +1.99000000E+013 +0.00000000E+000 +1.87280000E+004 !\Author: WARNING !\Ref: !SAKAI ET AL PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 411-418 !\Comment: !SAKAI,HPLIMIT 
HOC6H4CH2O<=>C6H4OH+CH2O                          +8.55000000E+013 +0.00000000E+000 +2.60170000E+004 !\Author: WARNING !\Ref: !SAKAI ET AL PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 411-418 !\Comment: !SAKAI,HPLIMIT 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>RH+RH
!___________________________________________________________________________________________________________ 
HOC6H4CH2O+O2<=>HOC6H4CHO+HO2                     +6.00000000E+010 +0.00000000E+000 +1.60000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: KHP_HOMOLYTIC_FISSION
!___________________________________________________________________________________________________________ 
HOC6H4CH2O+OH<=>HOC6H4CH2OOH                      +2.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: !WKM ESTIMATED !\Comment: WARNING 
HOC6H4CH2+HO2<=>HOC6H4CH2OOH                      +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
!===========================================================================================================
!\SUBSPECIES: HOC6H4CHO
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
HOC6H4CHO+H<=>HOC6H4CO+H2                         +4.00000000E+013 +0.00000000E+000 +3.20000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CHO+O<=>HOC6H4CO+OH                         +6.00000000E+012 +0.00000000E+000 +1.80000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CHO+OH<=>HOC6H4CO+H2O                       +7.80000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CHO+HO2<=>HOC6H4CO+H2O2                     +3.00000000E+012 +0.00000000E+000 +1.10000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
HOC6H4CHO+CH3<=>HOC6H4CO+CH4                      +2.00000000E-006 +5.60000000E+000 +1.50000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ALPHA_SCISSION
!___________________________________________________________________________________________________________ 
HOC6H4CO<=>C6H5O+CO                               +4.00000000E+014 +0.00000000E+000 +2.95000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
!===========================================================================================================
!\ENDSUBSPECIES: HOC6H4CHO
!===========================================================================================================
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: HOC6H4CH3
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C6H5CH2OH
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: UNIMOL
!___________________________________________________________________________________________________________ 
C6H5CH2O+H<=>C6H5CH2OH                            +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: MM TEST 
C6H5CH2OH<=>C6H5CH2+OH                            +2.08400000E+018 -6.15000000E-001 +9.25406000E+004 !\Author: \REF !\Ref: WARNING !\Comment: ANALOGY TO REVERSE REACTION OF CH3OH<=>CH3+OH HL FROM BASEMECH 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH_R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C6H5CH2OH+O2<=>C6H5CHOH+HO2                       +1.50000000E+013 +0.00000000E+000 +5.01500000E+004 !\Author: WARNING !\Ref: BASEMECH !\Comment: YJ ANALOGY TO C2H5OH+O2<=>SC2H4OH+HO2 
C6H5CH2OH+H<=>C6H5CHOH+H2                         +8.00000000E+013 +0.00000000E+000 +6.40000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CH2OH+O<=>C6H5CHOH+OH                         +4.20000000E+011 +0.00000000E+000 -2.00000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CH2OH+OH<=>C6H5CHOH+H2O                       +3.90000000E+009 +1.00000000E+000 -1.10000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CH2OH+HO2<=>C6H5CHOH+H2O2                     +2.70000000E+011 +0.00000000E+000 +1.20000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CH2OH+CH3<=>C6H5CHOH+CH4                      +1.10000000E+012 +0.00000000E+000 +9.10000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CH2OH+C3H3<=>C6H5CHOH+C3H4-P                  +1.10000000E+012 +0.00000000E+000 +1.31000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CH2OH+C3H5-A<=>C6H5CHOH+C3H6                  +1.10000000E+012 +0.00000000E+000 +1.31000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CH2OH+C4H5-I<=>C6H5CHOH+C4H61-3                  +1.10000000E+012 +0.00000000E+000 +1.31000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CH2OH+C4H5-N<=>C6H5CHOH+C4H61-3                  +1.10000000E+012 +0.00000000E+000 +1.31000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CH2OH+C5H5<=>C6H5CHOH+C5H6                    +1.10000000E+012 +0.00000000E+000 +9.10000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CH2OH+C6H5<=>C6H5CHOH+C6H6                    +5.20000000E+013 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CH2OH+C6H5O<=>C6H5CHOH+C6H5OH                 +1.10000000E+011 +0.00000000E+000 +1.31000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CH2OH+C6H5CH2<=>C6H5CHOH+C6H5CH3              +1.10000000E+011 +0.00000000E+000 +1.31000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CH2OH+C6H4CH3<=>C6H5CHOH+C6H5CH3              +5.20000000E+013 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CH2OH+OC6H4CH3<=>C6H5CHOH+HOC6H4CH3           +1.10000000E+011 +0.00000000E+000 +1.31000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CH2OH+HOC6H4CH2<=>C6H5CHOH+HOC6H4CH3          +1.10000000E+011 +0.00000000E+000 +1.31000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CH2OH+C6H5CH2O<=>C6H5CHOH+C6H5CH2OH           +1.10000000E+011 +0.00000000E+000 +9.10000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CH2OH+O2<=>C6H5CH2O+HO2                       +1.00000000E+013 +0.00000000E+000 +5.63400000E+004 !\Author: WARNING !\Ref: !KUIWEN MOD 7 FROM BUTANOL ISOMERS MECHANISM !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C6H5CHO+H<=>C6H5CHOH                              +1.33600000E+035 -6.61600000E+000 +2.05917000E+004 !\Author: YJZ !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONH
!___________________________________________________________________________________________________________ 
C6H5CH2OH+H<=>C6H6+CH2OH                          +5.80000000E+013 +0.00000000E+000 +8.10000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C6H5CH2OH
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C6H5C2H5
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C6H5C2H5<=>C6H5CH2+CH3                            +5.01000000E+026 -3.17000000E+000 +7.86000000E+004 !\Author: WARNING !\Ref: YUAN ET AL COMBUSTION AND FLAME 166(2016) 255-265 !\Comment: WARNING 
PLOG /                           +3.95000000E-002 +7.23000000E+090 -2.21000000E+001 +1.16000000E+005 /
PLOG /                           +1.97000000E-001 +1.16000000E+077 -1.80000000E+001 +1.09000000E+005 /
PLOG /                           +1.00000000E+000 +6.41000000E+060 -1.32000000E+001 +9.94000000E+004 /
PLOG /                           +1.00000000E+002 +5.01000000E+026 -3.17000000E+000 +7.86000000E+004 /
C6H5C2H5<=>C6H5CHCH3+H                            +6.12000000E+016 -6.00000000E-001 +8.94000000E+004 !\Author: WARNING !\Ref: YUAN ET AL COMBUSTION AND FLAME 166(2016) 255-265 !\Comment: WARNING 
PLOG /                           +3.95000000E-002 +3.13000000E+097 -2.42000000E+001 +1.34000000E+005 /
PLOG /                           +1.97000000E-001 +1.25000000E+082 -1.96000000E+001 +1.27000000E+005 /
PLOG /                           +1.00000000E+000 +3.95000000E+060 -1.33000000E+001 +1.15000000E+005 /
PLOG /                           +1.00000000E+002 +6.12000000E+016 -6.00000000E-001 +8.94000000E+004 /
C6H5C2H5<=>C6H5CH2CH2+H                           +3.59000000E+017 -5.61000000E-001 +1.05000000E+005 !\Author: WARNING !\Ref: YUAN ET AL COMBUSTION AND FLAME 166(2016) 255-265 !\Comment: WARNING 
PLOG /                           +3.95000000E-002 +1.28000000E+117 -3.00000000E+001 +1.57000000E+005 /
PLOG /                           +1.97000000E-001 +2.18000000E+101 -2.51000000E+001 +1.52000000E+005 /
PLOG /                           +1.00000000E+000 +4.77000000E+076 -1.78000000E+001 +1.39000000E+005 /
PLOG /                           +1.00000000E+002 +3.59000000E+017 -5.61000000E-001 +1.05000000E+005 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C6H5C2H5+H<=>C6H5CHCH3+H2                         +3.97000000E+002 +3.44000000E+000 +3.12000000E+003 !\Author: WARNING !\Ref: !ERGUT ET AL COMBUSTION AND FLAME 144(2006) 757-772 !\Comment: WARNING 
C6H5C2H5+OH<=>C6H5CHCH3+H2O                       +5.17000000E+009 +1.00000000E+000 +8.70000000E+002 !\Author: WARNING !\Ref: !ERGUT ET AL COMBUSTION AND FLAME 144(2006) 757-772 !\Comment: WARNING 
C6H5C2H5+O2<=>C6H5CHCH3+HO2                       +1.81000000E+012 +0.00000000E+000 +3.97400000E+004 !\Author: WARNING !\Ref: !ERGUT ET AL COMBUSTION AND FLAME 144(2006) 757-772 !\Comment: WARNING 
C6H5C2H5+O<=>C6H5CHCH3+OH                         +6.60000000E+005 +2.43000000E+000 +1.21000000E+003 !\Author: WARNING !\Ref: !M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33(2011) 201--208. !\Comment: WARNING 
C6H5C2H5+HO2<=>C6H5CHCH3+H2O2                     +6.80000000E+003 +2.55000000E+000 +1.01140000E+004 !\Author: WARNING !\Ref: WALKER !\Comment: WARNING 
C6H5C2H5+CH3<=>C6H5CHCH3+CH4                      +3.69000000E+000 +3.31000000E+000 +4.00200000E+003 !\Author: WARNING !\Ref: M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33(2011) 201--208. !\Comment: WARNING 
C6H5C2H5+C2H3<=>C6H5CHCH3+C2H4                    +1.00000000E+003 +3.10000000E+000 +8.82900000E+003 !\Author: WARNING !\Ref: P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33(2011) 209--216. !\Comment: WARNING 
C6H5C2H5+C2H5<=>C6H5CHCH3+C2H6                    +5.01000000E+010 +0.00000000E+000 +1.04000000E+004 !\Author: WARNING !\Ref: P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33(2011) 209--216. !\Comment: WARNING 
C6H5C2H5+C3H5-A<=>C6H5CHCH3+C3H6                  +7.94000000E+011 +0.00000000E+000 +1.62000000E+004 !\Author: WARNING !\Ref: P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33(2011) 209--216. !\Comment: WARNING 
C6H5C2H5+C3H5-T<=>C6H5CHCH3+C3H6                  +7.94000000E+011 +0.00000000E+000 +1.62000000E+004 !\Author: WARNING !\Ref: P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33(2011) 209--216. !\Comment: WARNING 
C6H5C2H5+C3H5-S<=>C6H5CHCH3+C3H6                  +7.94000000E+011 +0.00000000E+000 +1.62000000E+004 !\Author: WARNING !\Ref: P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33(2011) 209--216. !\Comment: WARNING 
C6H5C2H5+C6H5<=>C6H5CHCH3+C6H6                    +7.94000000E+011 +0.00000000E+000 +1.62000000E+004 !\Author: WARNING !\Ref: P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33(2011) 209--216. !\Comment: WARNING 
C6H5C2H5+C6H5CHCH3<=>C6H5CHCH3+C6H5C2H5           +7.94000000E+011 +0.00000000E+000 +1.62000000E+004 !\Author: WARNING !\Ref: P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33(2011) 209--216. !\Comment: WARNING 
C6H5C2H5+CH3O<=>C6H5CHCH3+CH3OH                   +4.00000000E+001 +2.90000000E+000 +8.60900000E+003 !\Author: WARNING !\Ref: M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33(2011) 201--208. !\Comment: WARNING 
C6H5C2H5+C4H5-I<=>C6H5CHCH3+C4H61-3                  +1.10000000E+012 +0.00000000E+000 +1.31000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5C2H5+C4H5-N<=>C6H5CHCH3+C4H61-3                  +1.10000000E+012 +0.00000000E+000 +1.31000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5C2H5+C5H5<=>C6H5CHCH3+C5H6                    +1.10000000E+012 +0.00000000E+000 +9.10000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5C2H5+C6H5O<=>C6H5CHCH3+C6H5OH                 +1.10000000E+012 +0.00000000E+000 +1.31000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5C2H5+C6H5CH2<=>C6H5CHCH3+C6H5CH3              +7.94000000E+011 +0.00000000E+000 +1.62000000E+004 !\Author: WARNING !\Ref: P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33(2011) 209--216. !\Comment: WARNING 
C6H5C2H5+OC6H4CH3<=>C6H5CHCH3+HOC6H4CH3           +1.10000000E+011 +0.00000000E+000 +1.31000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5C2H5+HOC6H4CH2<=>C6H5CHCH3+HOC6H4CH3          +1.10000000E+011 +0.00000000E+000 +1.31000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5C2H5+O2<=>C6H5CH2CH2+HO2                      +3.00000000E+013 +0.00000000E+000 +5.22900000E+004 !\Author: WARNING !\Ref: !M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33(2011) 201--208. !\Comment: WARNING 
C6H5C2H5+H<=>C6H5CH2CH2+H2                        +6.65000000E+005 +2.54000000E+000 +6.75600000E+003 !\Author: WARNING !\Ref: !M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33(2011) 201--208. !\Comment: WARNING 
C6H5C2H5+O<=>C6H5CH2CH2+OH                        +9.80000000E+005 +2.43000000E+000 +4.75000000E+003 !\Author: WARNING !\Ref: !M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33(2011) 201--208. !\Comment: WARNING 
C6H5C2H5+OH<=>C6H5CH2CH2+H2O                      +5.27000000E+009 +9.70000000E-001 +1.58600000E+003 !\Author: WARNING !\Ref: ! !M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33(2011) 201--208. !\Comment: WARNING 
C6H5C2H5+HO2<=>C6H5CH2CH2+H2O2                    +2.38000000E+004 +2.55000000E+000 +1.64900000E+004 !\Author: WARNING !\Ref: ! !M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33(2011) 201--208. !\Comment: WARNING 
C6H5C2H5+CH3<=>C6H5CH2CH2+CH4                     +4.52100000E-001 +3.65000000E+000 +7.15400000E+003 !\Author: WARNING !\Ref: ! !M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33(2011) 201--208. !\Comment: WARNING 
C6H5C2H5+C2H3<=>C6H5CH2CH2+C2H4                   +6.00000000E+002 +3.30000000E+000 +1.05020000E+004 !\Author: WARNING !\Ref: !P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33(2011) 209--216. !\Comment: WARNING 
C6H5C2H5+C2H5<=>C6H5CH2CH2+C2H6                   +3.16000000E+011 +0.00000000E+000 +1.23000000E+004 !\Author: WARNING !\Ref: !P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33(2011) 209--216. !\Comment: WARNING 
C6H5C2H5+C3H5-A<=>C6H5CH2CH2+C3H6                 +7.94000000E+011 +0.00000000E+000 +2.05000000E+004 !\Author: WARNING !\Ref: !P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33(2011) 209--216. !\Comment: WARNING 
C6H5C2H5+C3H5-T<=>C6H5CH2CH2+C3H6                 +7.94000000E+011 +0.00000000E+000 +2.05000000E+004 !\Author: WARNING !\Ref: !P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33(2011) 209--216. !\Comment: WARNING 
C6H5C2H5+C3H5-S<=>C6H5CH2CH2+C3H6                 +7.94000000E+011 +0.00000000E+000 +2.05000000E+004 !\Author: WARNING !\Ref: !P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33(2011) 209--216. !\Comment: WARNING 
C6H5C2H5+C6H5<=>C6H5CH2CH2+C6H6                   +7.94000000E+011 +0.00000000E+000 +2.05000000E+004 !\Author: WARNING !\Ref: !P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33(2011) 209--216. !\Comment: WARNING 
C6H5C2H5+C6H5CH2<=>C6H5CH2CH2+C6H5CH3             +7.94000000E+011 +0.00000000E+000 +2.05000000E+004 !\Author: WARNING !\Ref: !P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33(2011) 209--216. !\Comment: WARNING 
C6H5C2H5+C6H5CHCH3<=>C6H5CH2CH2+C6H5C2H5          +7.94000000E+011 +0.00000000E+000 +2.05000000E+004 !\Author: WARNING !\Ref: !P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33(2011) 209--216. !\Comment: WARNING 
C6H5C2H5+CH3O<=>C6H5CH2CH2+CH3OH                  +2.17000000E+011 +0.00000000E+000 +6.45800000E+003 !\Author: WARNING !\Ref: !M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33(2011) 201--208. !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C6H5CH2CH2+O2<=>C6H5CH2CH2OO                      +4.52000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: !M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33(2011) 201--208. !\Comment: WARNING 
C6H5CHCH3+O2<=>C6H5CHOOCH3                        +6.00000000E+011 +0.00000000E+000 +3.00000000E+003 !\Author: WARNING !\Ref: !Y. MURAKAMI, T. OGUCHI, K. HASHIMOTO, Y. NOSAKA, J. PHYS. CHEM. A 113(2009) 10652--10666. !\Comment: WARNING 
C6H5CH2CH2OO<=>C6H5C2H3+HO2                       +1.00000000E+010 +8.60000000E-001 +2.76000000E+004 !\Author: WARNING !\Ref: YUAN ET AL COMBUSTION AND FLAME 166(2016) 255-265 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +1.60000000E+046 -1.05000000E+001 +3.82000000E+004 /
PLOG /                           +1.00000000E+000 +6.74000000E+021 -2.90000000E+000 +3.12000000E+004 /
PLOG /                           +1.00000000E+001 +9.35000000E+028 -4.52000000E+000 +3.35000000E+004 /
PLOG /                           +1.00000000E+002 +1.00000000E+010 +8.60000000E-001 +2.76000000E+004 /
C6H5CHOOCH3<=>C6H5C2H3+HO2                        +1.00000000E+011 +7.60000000E-001 +2.72000000E+004 !\Author: WARNING !\Ref: YUAN ET AL COMBUSTION AND FLAME 166(2016) 255-265 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +1.02000000E+053 -1.29000000E+001 +3.85000000E+004 /
PLOG /                           +1.00000000E+000 +1.63000000E+040 -8.81000000E+000 +3.53000000E+004 /
PLOG /                           +1.00000000E+001 +9.42000000E+030 -5.63000000E+000 +3.28000000E+004 /
PLOG /                           +1.00000000E+002 +1.00000000E+011 +7.60000000E-001 +2.72000000E+004 /
C6H5CHOOCH3<=>C6H5CHO+CH3O                        +7.19000000E+069 -1.84000000E+001 +8.42000000E+004 !\Author: WARNING !\Ref: YUAN ET AL COMBUSTION AND FLAME 166(2016) 255-265 !\Comment: WARNING 
PLOG /                           +1.00000000E-001 +5.77000000E+072 -2.15000000E+001 +7.98000000E+004 /
PLOG /                           +1.00000000E+000 +2.78000000E+084 -2.38000000E+001 +8.62000000E+004 /
PLOG /                           +1.00000000E+001 +7.19000000E+069 -1.84000000E+001 +8.42000000E+004 /
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONH
!___________________________________________________________________________________________________________ 
C6H5C2H5+H<=>C6H6+C2H5                            +1.20000000E+013 +0.00000000E+000 +5.10000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C6H5C2H3+H<=>C6H5CH2CH2                           +2.50000000E+011 +5.00000000E-001 +2.62000000E+003 !\Author: WARNING !\Ref: !ERGUT ET AL COMBUSTION AND FLAME 144(2006) 757-772 !\Comment: WARNING 
C2H4+C6H5<=>C6H5CH2CH2                            +2.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: !ERGUT ET AL COMBUSTION AND FLAME 144(2006) 757-772 !\Comment: WARNING 
C6H5CHCH3<=>C6H5C2H3+H                            +3.16000000E+013 +0.00000000E+000 +5.06690000E+004 !\Author: WARNING !\Ref: !ERGUT ET AL COMBUSTION AND FLAME 144(2006) 757-772 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C6H5CHCH3+O2<=>C6H5C2H3+HO2                       +7.00000000E+011 +0.00000000E+000 +1.50000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CH2CH2+O2<=>C6H5C2H3+HO2                      +1.50000000E+012 +0.00000000E+000 +5.00000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+HO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C6H5CHCH3+HO2=>C6H5CHO+CH3+OH                     +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5CH2CH2+HO2=>C6H5CH2+CH2O+OH                   +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
!===========================================================================================================
!\SUBSPECIES: C6H5C2H3
!===========================================================================================================
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C6H5C2H3<=>C6H6+C2H2                              +1.58000000E+011 +0.00000000E+000 +5.84400000E+004 !\Author: WARNING !\Ref: !ERGUT ET AL COMBUSTION AND FLAME 144(2006) 757-772 !\Comment: WARNING 
C6H5CCH2+H<=>C6H5C2H3                             +1.11000000E+016 -8.17000000E-001 +6.90000000E+002 !\Author: WARNING !\Ref: !ERGUT ET AL COMBUSTION AND FLAME 144(2006) 757-772 !\Comment: WARNING 
C6H5+C2H3<=>C6H5C2H3                              +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: !WKM ESTIMATED !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C6H5C2H3+O2<=>C6H5CCH2+HO2                        +2.00000000E+013 +0.00000000E+000 +5.79000000E+004 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C6H5C2H3+H<=>C6H5CCH2+H2                          +3.23000000E+007 +2.09500000E+000 +1.58420000E+004 !\Author: WARNING !\Ref: !ERGUT ET AL COMBUSTION AND FLAME 144(2006) 757-772 !\Comment: WARNING 
C6H5C2H3+OH<=>C6H5CCH2+H2O                        +2.11000000E+013 +0.00000000E+000 +4.57100000E+003 !\Author: WARNING !\Ref: !ERGUT ET AL COMBUSTION AND FLAME 144(2006) 757-772 !\Comment: WARNING 
C6H5C2H3+H<=>C6H5CHCH+H2                          +5.07000000E+007 +1.93000000E+000 +1.29510000E+004 !\Author: WARNING !\Ref: !ERGUT ET AL COMBUSTION AND FLAME 144(2006) 757-772 !\Comment: WARNING 
C6H5C2H3+OH<=>C6H5CHCH+H2O                        +2.02000000E+013 +0.00000000E+000 +5.95500000E+003 !\Author: WARNING !\Ref: !ERGUT ET AL COMBUSTION AND FLAME 144(2006) 757-772 !\Comment: WARNING 
C6H5C2H3+O<=>C6H5CHCH+OH                          +7.55000000E+006 +1.91000000E+000 +3.73600000E+003 !\Author: WARNING !\Ref: !ERGUT ET AL COMBUSTION AND FLAME 144(2006) 757-772 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONMISC
!___________________________________________________________________________________________________________ 
C6H5+C2H4<=>C6H5C2H3+H                            +2.51000000E+012 +0.00000000E+000 +6.20000000E+003 !\Author: WARNING !\Ref: !ERGUT ET AL COMBUSTION AND FLAME 144(2006) 757-772 !\Comment: WARNING 
C6H5C2H3+O<=>C6H5+CH2CHO                          +3.50000000E+013 +0.00000000E+000 +2.83200000E+003 !\Author: WARNING !\Ref: !ERGUT ET AL COMBUSTION AND FLAME 144(2006) 757-772 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C6H5CCH2+O2<=>C6H5O+CH2CO                         +1.88000000E+012 +0.00000000E+000 +7.46900000E+003 !\Author: WARNING !\Ref: !ERGUT ET AL COMBUSTION AND FLAME 144(2006) 757-772 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C6H5+C2H2<=>C6H5CCH2                              +1.10000000E+041 -8.61000000E+000 +1.81520000E+004 !\Author: WARNING !\Ref: !ERGUT ET AL COMBUSTION AND FLAME 144(2006) 757-772 !\Comment: WARNING 
C6H5+C2H2<=>C6H5CHCH                              +6.70000000E+034 -7.04000000E+000 +1.09870000E+004 !\Author: WARNING !\Ref: !ERGUT ET AL COMBUSTION AND FLAME 144(2006) 757-772 !\Comment: WARNING 
C6H5+C2H2<=>C6H5C2H+H                             +1.13000000E+033 -5.11000000E+000 +3.78000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +3.95000000E-002 +8.56000000E+017 -1.33000000E+000 +1.27000000E+004 /
PLOG /                           +1.00000000E+000 +1.10000000E+031 -4.83000000E+000 +2.66000000E+004 /
PLOG /                           +1.00000000E+001 +3.38000000E+033 -5.39000000E+000 +3.27000000E+004 /
PLOG /                           +1.00000000E+002 +1.13000000E+033 -5.11000000E+000 +3.78000000E+004 /
!===========================================================================================================
!\ENDSUBSPECIES: C6H5C2H3
!===========================================================================================================
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C6H5C2H5
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C14H14
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C6H5CH2+C6H5CH2<=>C14H14                          +1.23000000E+018 -1.26000000E+000 +1.56062000E+003 !\Author: WARNING !\Ref: FRIDLYAND ET AL., JPCA, 2013 !\Comment: 10A-FACTOR_1.23E17 ANALOGY WITH ALLYL+ALLYL 
C14H13+H<=>C14H14                                 +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C14H14+H<=>C14H13+H2                              +5.02000000E+004 +2.50000000E+000 -1.67000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: ANALOGY TO ALLYLIC SECONDARY H ABSTRACTION FROM HENRY'S LECTURE 
C14H14+O2<=>C14H13+HO2                            +2.80000000E+012 +0.00000000E+000 +3.50000000E+004 !\Author: WARNING !\Ref: !SAKAI ET AL PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 411-418 !\Comment: !OEHLSCHLAEGER2005 
C14H14+O<=>C14H13+OH                              +7.96000000E+010 +7.00000000E-001 +3.11000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: ANALOGY TO ALLYLIC SECONDARY H ABSTRACTION FROM HENRY'S LECTURE 
C14H14+OH<=>C14H13+H2O                            +3.17000000E+006 +2.00000000E+000 -1.43000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: ANALOGY TO ALLYLIC SECONDARY H ABSTRACTION FROM HENRY'S LECTURE 
C14H14+HO2<=>C14H13+H2O2                          +6.32000000E+003 +2.60000000E+000 +1.07000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: ANALOGY TO ALLYLIC SECONDARY H ABSTRACTION FROM HENRY'S LECTURE 
C14H14+CH3<=>C14H13+CH4                           +1.59000000E+012 +0.00000000E+000 +6.93000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: ANALOGY TO ALLYLIC SECONDARY H ABSTRACTION FROM HENRY'S LECTURE 
C14H14+C3H5-A<=>C14H13+C3H6                       +2.20000000E+012 +0.00000000E+000 +9.10000000E+003 !\Author: WARNING !\Ref: !BOUNACEUR ET AL INT J CHEM KINET 37 !\Comment: WARNING 
C14H14+C6H5CH2<=>C14H13+C6H5CH3                   +2.20000000E+011 +0.00000000E+000 +9.10000000E+003 !\Author: WARNING !\Ref: !SAKAI ET AL PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 411-418 !\Comment: WARNING 
C14H14+C6H5<=>C14H13+C6H6                         +1.06000000E+014 +0.00000000E+000 +9.94900000E+003 !\Author: WARNING !\Ref: !SAKAI ET AL PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 411-418 !\Comment: !BOUNACEUR2005,TABLEV ESTIMATED AA 
C14H14+C6H5O<=>C14H13+C6H5OH                      +5.43000000E+012 +0.00000000E+000 +2.09230000E+004 !\Author: WARNING !\Ref: !SAKAI ET AL PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 411-418 !\Comment: !EQUAL TO C6H5CH3+C6H5O 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C14H13<=>C14H12+H                                 +7.90000000E+015 +0.00000000E+000 +5.18640000E+004 !\Author: WARNING !\Ref: !SAKAI ET AL PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 411-418 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C14H13+O2<=>C14H13OO                              +8.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: !WKM ESTIMATED !\Comment: WARNING 
C14H13+O2<=>C6H5CHO+C6H5CH2O                      +3.94000000E+050 -1.15000000E+001 +4.22500000E+004 !\Author: WARNING !\Ref: !SAKAI ET AL PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 411-418 !\Comment: !C2H5+O2,A-FACTOR*(4 / 5) 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RO2<=>QOOH
!___________________________________________________________________________________________________________ 
C14H13OO<=>C14H12OOH                              +2.59000000E+012 +0.00000000E+000 +2.13740000E+004 !\Author: WARNING !\Ref: !WKM ESTIMATED !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH<=>ALKENE_HO2
!___________________________________________________________________________________________________________ 
C14H12+HO2<=>C14H12OOH                            +1.00000000E+011 +0.00000000E+000 +1.05300000E+004 !\Author: WARNING !\Ref: !WKM ESTIMATED !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: QOOH+O2<=>O2QOOH
!___________________________________________________________________________________________________________ 
C14H12OOH+O2<=>C14H12O2H-1O2                      +8.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: !WKM ESTIMATED !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: O2QOOH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C14H12O2H-1O2<=>C14H11O-1O2H+OH                   +1.29500000E+012 +0.00000000E+000 +1.83740000E+004 !\Author: WARNING !\Ref: !WKM ESTIMATED !\Comment: WARNING 
C14H11O-1O2H=>C6H5CHO+C6H5CO+OH                   +1.00000000E+016 +0.00000000E+000 +4.30000000E+004 !\Author: WARNING !\Ref: !WKM ESTIMATED !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+HO2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C14H13+HO2=>C6H5CH2+C6H5CHO+OH                    +1.92000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: !SAKAI ET AL PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 411-418 !\Comment: !EQUAL TO C2H5+HO2 
C14H13+HO2<=>C14H13OOH                            +1.44000000E+032 -6.01000000E+000 +6.05360000E+003 !\Author: WARNING !\Ref: ANALOGY TO C3H5-A+HO2<=>AC3H5OOH !\Comment: WARNING 
C14H13+HO2<=>C14H13O+OH                           +1.64000000E+004 +2.74000000E+000 +1.14440000E+003 !\Author: WARNING !\Ref: ANALOGY TO C3H5-A+HO2<=>C3H5O+OH FROM BASEMECH !\Comment: WARNING 
C14H13+HO2<=>C14H12O+H2O                          +5.07000000E-005 +4.59000000E+000 +9.27500000E+002 !\Author: WARNING !\Ref: ANALOGY TO C3H5-A+HO2<=>C2H3CHO+H2O FROM BASEMECH !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: KHP_HOMOLYTIC_FISSION
!___________________________________________________________________________________________________________ 
C14H13O+OH<=>C14H13OOH                            +5.65100000E+020 -2.41700000E+000 +3.15330000E+003 !\Author: WARNING !\Ref: ANALOGY TO REVERSED REACTION OF AC3H5OOH<=>C3H5O+OH FROM BASEMECH !\Comment: WARNING 
C14H12O+H2O<=>C14H13OOH                           +5.44000000E+009 +4.73000000E-001 +1.09000000E+005 !\Author: WARNING !\Ref: ANALOGY TO REVERSED REACTION OF AC3H5OOH<=>C2H3CHO+H2O FROM BASEMECH !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C14H13OOH+C6H5CH2<=>C14H13OO+C6H5CH3              +1.44000000E+010 +0.00000000E+000 +1.77000000E+004 !\Author: WARNING !\Ref: !WKM ESTIMATED !\Comment: WARNING 
C14H13OO+HO2<=>C14H13OOH+O2                       +1.75000000E+010 +0.00000000E+000 -3.27500000E+003 !\Author: WARNING !\Ref: !WKM ESTIMATED !\Comment: !C7H15O2-1+HO2<=>C7H15O2H-1+O2 
C14H13OO+H2O2<=>C14H13OOH+HO2                     +2.40000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: WARNING !\Ref: !WKM ESTIMATED !\Comment: H2O2+C7H15O2-1<=>HO2+C7H15O2H-1 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C6H5CH2+C6H5CHO<=>C14H13O                         +1.00000000E+011 +0.00000000E+000 +1.29000000E+004 !\Author: WARNING !\Ref: !WKM ESTIMATED !\Comment: !C7H15O-4<=>NC3H7CHO+NC3H7 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C14H12+O2<=>C14H11+HO2                            +4.00000000E+013 +0.00000000E+000 +5.82000000E+004 !\Author: WARNING !\Ref: !SAKAI ET AL PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 411-418 !\Comment: !EQUAL TO C2H4+O2<=>C2H3+HO2 
C14H12+H<=>C14H11+H2                              +8.42000000E-003 +4.62000000E+000 +2.58300000E+003 !\Author: WARNING !\Ref: !SAKAI ET AL PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 411-418 !\Comment: !EQUAL TO C2H4+H<=>C2H3+H2 
C14H12+OH<=>C14H11+H2O                            +2.02000000E+013 +0.00000000E+000 +5.95500000E+003 !\Author: WARNING !\Ref: !SAKAI ET AL PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 411-418 !\Comment: !EQUAL TO C2H4+OH<=>C2H3+H2O 
C14H12+O<=>C14H11+OH                              +4.20000000E+011 +0.00000000E+000 -1.94000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C14H12+HO2<=>C14H11+H2O2                          +2.70000000E+011 +0.00000000E+000 +1.16400000E+004 !\Author: WARNING !\Ref: !WKM ESTIMATED !\Comment: WARNING 
C14H12+CH3<=>C14H11+CH4                           +1.10000000E+012 +0.00000000E+000 +8.82700000E+003 !\Author: WARNING !\Ref: !WKM ESTIMATED !\Comment: WARNING 
C14H12+C3H5-A<=>C14H11+C3H6                       +1.10000000E+012 +0.00000000E+000 +8.82700000E+003 !\Author: WARNING !\Ref: !WKM ESTIMATED !\Comment: WARNING 
C14H12+C6H5O<=>C14H11+C6H5OH                      +5.43000000E+012 +0.00000000E+000 +2.09230000E+004 !\Author: WARNING !\Ref: !WKM ESTIMATED !\Comment: WARNING 
C14H12+C6H5CH2<=>C14H11+C6H5CH3                   +1.10000000E+011 +0.00000000E+000 +8.82700000E+003 !\Author: WARNING !\Ref: !WKM ESTIMATED !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONO
!___________________________________________________________________________________________________________ 
C14H12+O<=>C6H5CO+C6H5CH2                         +7.95000000E+003 +1.66000000E+000 +6.57400000E+002 !\Author: WARNING !\Ref: !SAKAI ET AL PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 411-418 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C14H11=>C6H5+C2H+C6H5                             +1.07400000E+025 -2.21700000E+000 +8.84746000E+004 !\Author: WARNING !\Ref: !SAKAI ET AL PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 411-418 !\Comment: WARNING 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C14H11+O2<=>C6H5CO+C6H5CHO                        +1.70000000E+029 -5.31000000E+000 +6.50000000E+003 !\Author: WARNING !\Ref: !SAKAI ET AL PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(2009) 411-418 !\Comment: !EQUAL TO C2H3+O2<=>CH2O+HCO 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C14H14
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C5H5CH3
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C5H5+CH3=C5H5CH3                                  +5.66000000E+069 -1.62540000E+001 +3.21270000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.66000000E+109 -2.91820000E+001 +4.19000000E+004 /
PLOG /                           +1.00000000E+000 +2.46000000E+105 -2.70280000E+001 +4.79020000E+004 /
PLOG /                           +1.00000000E+001 +1.65000000E+094 -2.34720000E+001 +4.50930000E+004 /
PLOG /                           +1.00000000E+002 +5.66000000E+069 -1.62540000E+001 +3.21270000E+004 /
C5H5CH3=C5H5CH3-1                                 +2.34000000E+008 +1.20000000E+000 +2.48000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-1=C5H5CH3-2                               +5.51000000E+006 +2.10000000E+000 +2.51000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3=C5H4CH3+H                                 +2.87000000E+086 -2.05090000E+001 +1.20231000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.29000000E+079 -2.07310000E+001 +9.50330000E+004 /
PLOG /                           +1.00000000E+000 +7.35000000E+096 -2.44120000E+001 +1.16183000E+005 /
PLOG /                           +1.00000000E+001 +1.68000000E+097 -2.39870000E+001 +1.22273000E+005 /
PLOG /                           +1.00000000E+002 +2.87000000E+086 -2.05090000E+001 +1.20231000E+005 /
C5H5CH3-1=C5H4CH3+H                               +2.87000000E+086 -2.05090000E+001 +1.20231000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.29000000E+079 -2.07310000E+001 +9.50330000E+004 /
PLOG /                           +1.00000000E+000 +7.35000000E+096 -2.44120000E+001 +1.16183000E+005 /
PLOG /                           +1.00000000E+001 +1.68000000E+097 -2.39870000E+001 +1.22273000E+005 /
PLOG /                           +1.00000000E+002 +2.87000000E+086 -2.05090000E+001 +1.20231000E+005 /
C5H5CH3-2=C5H4CH3+H                               +2.87000000E+086 -2.05090000E+001 +1.20231000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.29000000E+079 -2.07310000E+001 +9.50330000E+004 /
PLOG /                           +1.00000000E+000 +7.35000000E+096 -2.44120000E+001 +1.16183000E+005 /
PLOG /                           +1.00000000E+001 +1.68000000E+097 -2.39870000E+001 +1.22273000E+005 /
PLOG /                           +1.00000000E+002 +2.87000000E+086 -2.05090000E+001 +1.20231000E+005 /
C5H5CH3-1=C5H5CH2-1+H                             +1.90000000E+086 -2.07030000E+001 +1.21560000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +9.42000000E+077 -2.05160000E+001 +9.44470000E+004 /
PLOG /                           +1.00000000E+000 +2.15000000E+096 -2.45480000E+001 +1.16868000E+005 /
PLOG /                           +1.00000000E+001 +1.32000000E+098 -2.45090000E+001 +1.24098000E+005 /
PLOG /                           +1.00000000E+002 +1.90000000E+086 -2.07030000E+001 +1.21560000E+005 /
C5H5CH3-2=C5H5CH2-2+H                             +4.30000000E+093 -2.28690000E+001 +1.30319000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.87000000E+097 -2.68260000E+001 +1.07563000E+005 /
PLOG /                           +1.00000000E+000 +2.50000000E+100 -2.59480000E+001 +1.22058000E+005 /
PLOG /                           +1.00000000E+001 +2.00000000E+103 -2.61370000E+001 +1.30630000E+005 /
PLOG /                           +1.00000000E+002 +4.30000000E+093 -2.28690000E+001 +1.30319000E+005 /
C5H5CH3=C5H5CH2+H                                 +9.42000000E+113 -2.89180000E+001 +1.54867000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E+000 +1.70000000E+110 -2.97410000E+001 +1.35237000E+005 /
PLOG /                           +1.00000000E+001 +1.30000000E+116 -3.03830000E+001 +1.47457000E+005 /
PLOG /                           +1.00000000E+002 +9.42000000E+113 -2.89180000E+001 +1.54867000E+005 /
C5H5CH3=FULVENE+H2                                +8.31000000E+083 -2.11610000E+001 +1.24263000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.11000000E+076 -2.14990000E+001 +9.66890000E+004 /
PLOG /                           +1.00000000E+000 +7.75000000E+093 -2.50690000E+001 +1.18634000E+005 /
PLOG /                           +1.00000000E+001 +3.40000000E+096 -2.52280000E+001 +1.26850000E+005 /
PLOG /                           +1.00000000E+002 +8.31000000E+083 -2.11610000E+001 +1.24263000E+005 /
C5H5CH3-1=FULVENE+H2                              +8.31000000E+083 -2.11610000E+001 +1.24263000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.11000000E+076 -2.14990000E+001 +9.66890000E+004 /
PLOG /                           +1.00000000E+000 +7.75000000E+093 -2.50690000E+001 +1.18634000E+005 /
PLOG /                           +1.00000000E+001 +3.40000000E+096 -2.52280000E+001 +1.26850000E+005 /
PLOG /                           +1.00000000E+002 +8.31000000E+083 -2.11610000E+001 +1.24263000E+005 /
C5H5CH3-2=FULVENE+H2                              +8.31000000E+083 -2.11610000E+001 +1.24263000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.11000000E+076 -2.14990000E+001 +9.66890000E+004 /
PLOG /                           +1.00000000E+000 +7.75000000E+093 -2.50690000E+001 +1.18634000E+005 /
PLOG /                           +1.00000000E+001 +3.40000000E+096 -2.52280000E+001 +1.26850000E+005 /
PLOG /                           +1.00000000E+002 +8.31000000E+083 -2.11610000E+001 +1.24263000E+005 /
C5H5CH3+O2=C5H5CH2+HO2                            +2.70000000E+014 +0.00000000E+000 +5.69740000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3+H=C5H5CH2+H2                              +1.62000000E+005 +2.66600000E+000 +7.64500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3+O=C5H5CH2+OH                              +4.31000000E+007 +1.85800000E+000 +5.27500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3+OH=C5H5CH2+H2O                            +2.01000000E+006 +2.11000000E+000 +1.36700000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3+HO2=C5H5CH2+H2O2                          +5.05000000E+000 +3.77700000E+000 +1.75240000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3+CH3=C5H5CH2+CH4                           +2.62000000E+000 +3.49400000E+000 +8.59900000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3+CH3O2=C5H5CH2+CH3O2H                      +2.53000000E+000 +3.77700000E+000 +1.75240000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3+C6H5O=C5H5CH2+C6H5OH                      +5.61000000E+007 +2.00000000E+000 +2.64190000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3+O2=C5H4CH3+HO2                            +1.22000000E+013 +0.00000000E+000 +3.30740000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3+H=C5H4CH3+H2                              +5.41000000E+004 +2.66600000E+000 +1.40000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3+O=C5H4CH3+OH                              +1.44000000E+007 +1.85800000E+000 +2.18800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3+OH=C5H4CH3+H2O                            +6.70000000E+005 +2.11000000E+000 -1.70700000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3+HO2=C5H4CH3+H2O2                          +1.68000000E+000 +3.77700000E+000 +5.63200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3+CH3=C5H4CH3+CH4                           +8.73000000E-001 +3.49400000E+000 +1.50400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3+CH3O2=C5H4CH3+CH3O2H                      +8.42000000E-001 +3.77700000E+000 +5.63200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3+C6H5O=C5H4CH3+C6H5OH                      +1.16000000E+007 +2.00000000E+000 +1.07990000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-1+O2=C5H5CH2-1+HO2                        +2.70000000E+014 +0.00000000E+000 +3.59740000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-1+H=C5H5CH2-1+H2                          +1.62000000E+005 +2.66600000E+000 +1.40000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-1+O=C5H5CH2-1+OH                          +4.31000000E+007 +1.85800000E+000 +2.56300000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-1+OH=C5H5CH2-1+H2O                        +2.01000000E+006 +2.11000000E+000 -1.33400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-1+HO2=C5H5CH2-1+H2O2                      +5.05000000E+000 +3.77700000E+000 +7.07500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-1+CH3=C5H5CH2-1+CH4                       +2.62000000E+000 +3.49400000E+000 +2.36500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-1+CH3O2=C5H5CH2-1+CH3O2H                  +2.53000000E+000 +3.77700000E+000 +7.07500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-1+C6H5O=C5H5CH2-1+C6H5OH                  +1.64000000E+006 +2.00000000E+000 +1.26940000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-1+O2=C5H4CH3+HO2                          +2.44000000E+013 +0.00000000E+000 +3.59740000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-1+H=C5H4CH3+H2                            +1.08000000E+005 +2.66600000E+000 +1.40000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-1+O=C5H4CH3+OH                            +2.87000000E+007 +1.85800000E+000 +2.56300000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-1+OH=C5H4CH3+H2O                          +1.34000000E+006 +2.11000000E+000 -1.33400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-1+HO2=C5H4CH3+H2O2                        +3.37000000E+000 +3.77700000E+000 +7.07500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-1+CH3=C5H4CH3+CH4                         +1.75000000E+000 +3.49400000E+000 +2.36500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-1+CH3O2=C5H4CH3+CH3O2H                    +1.68000000E+000 +3.77700000E+000 +7.07500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-1+C6H5O=C5H4CH3+C6H5OH                    +1.10000000E+006 +2.00000000E+000 +1.26940000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-2+O2=C5H5CH2-2+HO2                        +2.70000000E+014 +0.00000000E+000 +4.21740000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-2+H=C5H5CH2-2+H2                          +1.62000000E+005 +2.66600000E+000 +1.88500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-2+O=C5H5CH2-2+OH                          +4.31000000E+007 +1.85800000E+000 +3.36400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-2+OH=C5H5CH2-2+H2O                        +2.01000000E+006 +2.11000000E+000 -5.36000000E+002 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-2+HO2=C5H5CH2-2+H2O2                      +5.05000000E+000 +3.77700000E+000 +1.01600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-2+CH3=C5H5CH2-2+CH4                       +2.62000000E+000 +3.49400000E+000 +4.20500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-2+CH3O2=C5H5CH2-2+CH3O2H                  +2.53000000E+000 +3.77700000E+000 +1.01600000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-2+C6H5O=C5H5CH2-2+C6H5OH                  +1.76000000E+006 +2.00000000E+000 +1.67460000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-2+O2=C5H4CH3+HO2                          +2.44000000E+013 +0.00000000E+000 +3.63740000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-2+H=C5H4CH3+H2                            +1.08000000E+005 +2.66600000E+000 +1.40000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-2+O=C5H4CH3+OH                            +2.87000000E+007 +1.85800000E+000 +2.60200000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-2+OH=C5H4CH3+H2O                          +1.34000000E+006 +2.11000000E+000 -1.29500000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-2+HO2=C5H4CH3+H2O2                        +3.37000000E+000 +3.77700000E+000 +7.22400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-2+CH3=C5H4CH3+CH4                         +1.75000000E+000 +3.49400000E+000 +2.45400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-2+CH3O2=C5H4CH3+CH3O2H                    +1.68000000E+000 +3.77700000E+000 +7.22400000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH3-2+C6H5O=C5H4CH3+C6H5OH                    +7.33000000E+006 +2.00000000E+000 +1.28900000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
H+FULVENE=C5H5CH2                                 +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
H+FULVENE=C5H5CH2-1                               +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
H+FULVENE=C5H5CH2-2                               +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H4CH3=FULVENE+H                                 +5.96000000E+012 +0.00000000E+000 +5.68880000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H4CH3=C5H5CH2                                   +3.00000000E+012 +0.00000000E+000 +5.04000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH2=CYC6H7                                    +1.40000000E+013 +0.00000000E+000 +1.74000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH2-1=CYC6H7                                  +2.50000000E+013 +0.00000000E+000 +7.34000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH2-2=CYC6H7                                  +5.70000000E+012 +0.00000000E+000 +7.12000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH2-2=C5H5CH2-1                               +3.70000000E+013 +0.00000000E+000 +3.15000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5CH2-1=C5H5CH2                                 +7.40000000E+013 +0.00000000E+000 +4.20000000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C5H5+CH3=C5H5CH2-1+H                              +1.78000000E+045 -8.65300000E+000 +4.60520000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +7.62000000E+013 -2.99000000E-001 +1.16430000E+004 /
PLOG /                           +1.00000000E+000 +6.87000000E+027 -4.12100000E+000 +2.40250000E+004 /
PLOG /                           +1.00000000E+001 +9.37000000E+043 -8.49900000E+000 +3.94560000E+004 /
PLOG /                           +1.00000000E+002 +1.78000000E+045 -8.65300000E+000 +4.60520000E+004 /
C5H5+CH3=C5H4CH3+H                                +1.35000000E+045 -8.26600000E+000 +4.41340000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.20000000E+016 -5.76000000E-001 +1.08700000E+004 /
PLOG /                           +1.00000000E+000 +4.60000000E+031 -4.84300000E+000 +2.47550000E+004 /
PLOG /                           +1.00000000E+001 +4.34000000E+044 -8.33000000E+000 +3.80250000E+004 /
PLOG /                           +1.00000000E+002 +1.35000000E+045 -8.26600000E+000 +4.41340000E+004 /
C5H5+CH3=C5H5CH2-2+H                              +5.58000000E+045 -8.84000000E+000 +4.93950000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.38000000E+014 -4.10000000E-001 +1.70470000E+004 /
PLOG /                           +1.00000000E+000 +1.29000000E+023 -2.80500000E+000 +2.47220000E+004 /
PLOG /                           +1.00000000E+001 +5.79000000E+038 -7.07800000E+000 +3.90680000E+004 /
PLOG /                           +1.00000000E+002 +5.58000000E+045 -8.84000000E+000 +4.93950000E+004 /
C5H5+CH3=C5H5CH2+H                                +2.81000000E+044 -8.54000000E+000 +5.85950000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +9.42000000E+025 -3.52500000E+000 +4.10610000E+004 /
PLOG /                           +1.00000000E+000 +4.50000000E+026 -3.71300000E+000 +4.16250000E+004 /
PLOG /                           +1.00000000E+001 +1.40000000E+033 -5.49800000E+000 +4.71660000E+004 /
PLOG /                           +1.00000000E+002 +2.81000000E+044 -8.54000000E+000 +5.85950000E+004 /
C5H5CH2+O2=FULVENE+HO2                            +1.31000000E-009 +5.66000000E+000 +6.06100000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
C5H5CH2+O2=FULVENE+HO2                            +8.05000000E+000 +3.32000000E+000 +1.28570000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
DUP
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONH
!___________________________________________________________________________________________________________ 
C5H6+CH3<=>C5H5CH3+H                              +6.31000000E+010 +0.00000000E+000 +7.49200000E+003 !\Author: KPS !\Ref: MEHL AROMATIC MM 1988PER / RIC621 !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C5H5CH3
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: IND
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C9H7+H<=>IND                                      +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
IND+O2<=>C9H7+HO2                                 +4.00000000E+013 +0.00000000E+000 +3.71500000E+004 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
IND+HO2<=>C9H7+H2O2                               +1.10000000E+004 +2.60000000E+000 +1.29000000E+004 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
IND+OH<=>C9H7+H2O                                 +3.08000000E+006 +2.00000000E+000 +0.00000000E+000 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
IND+H<=>C9H7+H2                                   +1.70000000E+005 +2.50000000E+000 +2.48400000E+003 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
IND+O<=>C9H7+OH                                   +4.80000000E+004 +2.71000000E+000 +1.10000000E+003 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
IND+C2H3<=>C9H7+C2H4                              +1.20000000E-001 +4.00000000E+000 +0.00000000E+000 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
IND+C6H5O<=>C9H7+C6H5OH                           +3.16000000E+011 +0.00000000E+000 +8.00000000E+003 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
IND+CH3=C9H7+CH4                                  +1.19000000E+003 +2.90200000E+000 +6.05800000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IND+C6H5<=>C9H7+C6H6                              +1.00000000E-001 +4.00000000E+000 +0.00000000E+000 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C9H7+O<=>C9H6O+H                                  +2.80000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
C9H7+O2<=>C9H6O+OH                                +1.74000000E+007 +1.30000000E+000 +1.76673000E+004 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
C9H7+HO2=>C9H6O+H+OH                              +1.24000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
C9H7+OH=>C9H6O+H2                                 +4.08000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C9H6O=>C-C6H4+C2H2+CO                             +3.37000000E+044 -8.00000000E+000 +1.08675910E+005 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONMISC
!___________________________________________________________________________________________________________ 
IND+H<=>C3H3+C6H6                                 +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: KPS !\Ref: MEHL AROMATIC ! !\Comment: REACTIONS MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
C3H3+C4H4<=>C6H5CH2                               +6.53E+05	1.28E+00	-4.61E+03   !\AUTHOR: !\REF: !BOUNACEUR ET AL !INT J CHEM KINET 37: 25-49, 2005 !\COMMENT:
IND+H=>C6H5+.5C3H4-A+.5C3H4-P                     +2.50000000E+012 +0.00000000E+000 +3.00000000E+003 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
IND+OH=>C6H5+C2H4+CO                              +6.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: IND
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C10H10
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
C10H9+H<=>C10H10                                  +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
C10H10+O2<=>C10H9+HO2                             +4.00000000E+013 +0.00000000E+000 +3.71500000E+004 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
C10H10+HO2<=>C10H9+H2O2                           +1.10000000E+004 +2.60000000E+000 +1.29000000E+004 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
C10H10+OH<=>C10H9+H2O                             +3.08000000E+006 +2.00000000E+000 +0.00000000E+000 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
C10H10+H<=>C10H9+H2                               +1.70000000E+005 +2.50000000E+000 +2.48400000E+003 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
C10H10+O<=>C10H9+OH                               +4.80000000E+004 +2.71000000E+000 +1.10000000E+003 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
C10H10+C2H3<=>C10H9+C2H4                          +1.20000000E-001 +4.00000000E+000 +0.00000000E+000 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
C10H10+C6H5O<=>C10H9+C6H5OH                       +3.16000000E+011 +0.00000000E+000 +8.00000000E+003 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
C10H10+CH3<=>C10H9+CH4                            +1.80000000E-001 +4.00000000E+000 +0.00000000E+000 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
C10H10+C6H5<=>C10H9+C6H6                          +1.00000000E-001 +4.00000000E+000 +0.00000000E+000 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
C10H10+C5H5<=>C10H9+C5H6                          +1.10000000E+011 +0.00000000E+000 +5.50500000E+003 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
C10H10+C4H5-N<=>C10H9+C4H61-3                        +1.00000000E-001 +4.00000000E+000 +0.00000000E+000 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
C10H9<=>NAPH+H                                    +3.00000000E+013 +0.00000000E+000 +3.90000000E+004 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_ADDITIONMISC
!___________________________________________________________________________________________________________ 
C10H10+H<=>C4H5-N+C6H6                            +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
C10H10+OH<=>CH2CHCHCHO+C6H6                       +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
C10H9+HO2=>C6H5CHO+C3H3+OH                        +5.00000000E+012 +0.00000000E+000 +0.00000000E+000 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C10H10
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: NAPH
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
NAPH<=>NAPH-+H                                    +8.60000000E+060 -1.24800000E+001 +1.48076000E+005 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 PREVIOUS COMMENT 
NAPH<=>NAPHV+H                                    +8.60000000E+060 -1.24800000E+001 +1.48076000E+005 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 PREVIOUS COMMENT 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH+R_ABSTRACTION
!___________________________________________________________________________________________________________ 
NAPH+H<=>NAPH-+H2                                 +2.65000000E+008 +1.87000000E+000 +1.70960800E+004 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 PREVIOUS COMMENT 
NAPH+OH<=>NAPH-+H2O                               +9.63000000E+002 +3.02000000E+000 +4.37380000E+003 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 PREVIOUS COMMENT 
NAPH+C2H3<=>NAPH-+C2H4                            +4.08000000E-001 +4.02000000E+000 +8.80300000E+003 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 PREVIOUS COMMENT 
NAPH+H<=>NAPHV+H2                                 +2.65000000E+008 +1.87000000E+000 +1.70960800E+004 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 PREVIOUS COMMENT 
NAPH+OH<=>NAPHV+H2O                               +9.63000000E+002 +3.02000000E+000 +4.37380000E+003 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 PREVIOUS COMMENT 
NAPH+C2H3<=>NAPHV+C2H4                            +4.08000000E-001 +4.02000000E+000 +8.80300000E+003 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 PREVIOUS COMMENT 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O2<=>PRODUCTS
!___________________________________________________________________________________________________________ 
NAPHV+O2<=>NAPHO+O                                +8.57000000E+020 -2.27000000E+000 +7.18929000E+003 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 PREVIOUS COMMENT 
NAPH-+O2<=>NAPHO+O                                +8.57000000E+020 -2.27000000E+000 +7.18929000E+003 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 PREVIOUS COMMENT 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+O<=>PRODUCTS
!___________________________________________________________________________________________________________ 
NAPHV+O<=>NAPHO                                   +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 PREVIOUS COMMENT 
NAPH-+O<=>NAPHO                                   +1.00000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 PREVIOUS COMMENT 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+OH<=>PRODUCTS
!___________________________________________________________________________________________________________ 
NAPH-+OH<=>NAPHO+H                                +3.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 PREVIOUS COMMENT 
NAPHV+OH<=>NAPHO+H                                +3.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 PREVIOUS COMMENT 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RADICAL_BETA_SCISSION
!___________________________________________________________________________________________________________ 
NAPHO<=>C9H7+CO                                   +2.90000000E+010 +0.00000000E+000 +3.64244700E+004 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 PREVIOUS COMMENT 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: R+R<=>PRODUCTS
!___________________________________________________________________________________________________________ 
NAPHO+O=>C9H6O+CO+H                               +1.68000000E+014 +0.00000000E+000 +0.00000000E+000 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 PREVIOUS COMMENT 
NAPHO+O2=>C9H6O+CO+OH                             +6.51000000E+007 +1.30000000E+000 +1.76673000E+004 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 PREVIOUS COMMENT 
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: AROMATIC_GROWTH
!___________________________________________________________________________________________________________ 
!NAPH+C3H3=>FLUORENE+H                             +3.00000000E+012 +0.00000000E+000 +2.30000000E+004 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 PREVIOUS COMMENT 
!NAPH+C5H5=>C14H10+CH3                             +3.00000000E+012 +0.00000000E+000 +2.30000000E+004 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 PREVIOUS COMMENT 
!NAPH+C6H5=>C16H10+H+H2                            +3.00000000E+012 +0.00000000E+000 +1.00000000E+004 !\Author: KPS !\Ref: MEHL AROMATIC !\Comment: REACTIONS WERE MISSING FROM METCALFE MECHANISM, ADDED BY KPS 06 / 08 / 2015 PREVIOUS COMMENT 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: NAPH
!----------------------------------------------------------------------------------------------------------------------------------
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\END_KINETICS_MODULE: AROMATIC
!\SUBMECH: TME
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________ 
!\REACTIONCLASS: RH<=>PRODUCTS
!																											 
XC6D2<=>BC5H9-C+CH3                               +8.60000000E+064 -1.34000000E+001 +1.35000000E+005 !\Author: SN WARNING !\Ref: WARNING !\Comment: 4*APROPENE ANALOGYWARNING 
PLOG /                           +1.00000000E-002 +8.00000000E+078 -1.87000000E+001 +1.30000000E+005 /
PLOG /                           +1.00000000E-002 +7.50000000E+059 -1.36000000E+001 +1.13290000E+005 /
PLOG /                           +1.00000000E-001 +2.40000000E+077 -1.79000000E+001 +1.32000000E+005 /
PLOG /                           +1.00000000E-001 +8.00000000E+060 -1.37000000E+001 +1.14890000E+005 /
PLOG /                           +1.00000000E+000 +2.00000000E+076 -1.72000000E+001 +1.34000000E+005 /
PLOG /                           +1.00000000E+000 +2.80000000E+055 -1.18000000E+001 +1.13840000E+005 /
PLOG /                           +1.00000000E+001 +3.21200000E+072 -1.58000000E+001 +1.36000000E+005 /
PLOG /                           +1.00000000E+001 +4.06000000E+047 -9.27000000E+000 +1.11510000E+005 /
PLOG /                           +1.00000000E+002 +8.60000000E+064 -1.34000000E+001 +1.35000000E+005 /
PLOG /                           +1.00000000E+002 +2.89000000E+039 -6.70000000E+000 +1.08740000E+005 /
XC6D2=XC6D1-3+H                                   +3.20000000E+057 -1.15000000E+001 +1.22000000E+005 !\Author: SN WARNING !\Ref: PROPENE *4 YE, GEORGIEVSKII, KLIPPENSTEIN, PROC. COMBUST. 35(2015) 223-230 !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.60000000E+075 -1.76000000E+001 +1.20000000E+005 /
PLOG /                           +1.00000000E-002 +1.20000000E+055 -1.23000000E+001 +1.01200000E+005 /
PLOG /                           +1.00000000E-001 +7.00000000E+070 -1.60000000E+001 +1.20000000E+005 /
PLOG /                           +1.00000000E-001 +5.40000000E+043 -8.87000000E+000 +9.63650000E+004 /
PLOG /                           +1.00000000E+000 +4.00000000E+071 -1.59000000E+001 +1.24860000E+005 /
PLOG /                           +1.00000000E+000 +2.40000000E+043 -8.51000000E+000 +9.80040000E+004 /
PLOG /                           +1.00000000E+001 +2.50000000E+066 -1.42000000E+001 +1.25000000E+005 /
PLOG /                           +1.00000000E+001 +1.80000000E+036 -6.26000000E+000 +9.56440000E+004 /
PLOG /                           +1.00000000E+002 +3.20000000E+057 -1.15000000E+001 +1.22000000E+005 /
PLOG /                           +1.00000000E+002 +1.70000000E+029 -4.06000000E+000 +9.31140000E+004 /
B12DE3M+CH3<=>XC6D1-3                             +2.50000000E+003 +2.48000000E+000 +5.73000000E+003 !\Author: SN !\Ref: AC5H10 !\Comment: WARNING 
XC6-2<=>XC6D2+H                                   +1.20000000E+014 -1.60000000E-001 +3.63900000E+004 !\Author: SN !\Ref: 2*BC5H10 RATE, BC5H11<=>BC5H10+H !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.10000000E+048 -1.16600000E+001 +4.39000000E+004 /
PLOG /                           +1.00000000E-001 +3.50000000E+039 -8.64000000E+000 +4.24900000E+004 /
PLOG /                           +1.00000000E+000 +4.70000000E+029 -5.30000000E+000 +4.03000000E+004 /
PLOG /                           +1.00000000E+001 +5.20000000E+022 -2.98000000E+000 +3.86600000E+004 /
PLOG /                           +1.00000000E+002 +1.18000000E+018 -1.45000000E+000 +3.75100000E+004 /
PLOG /                           +1.00000000E+003 +1.20000000E+014 -1.60000000E-001 +3.63900000E+004 /
XC6-1<=>C3H6+IC3H7                                +1.33000000E+016 -7.70000000E-001 +3.06600000E+004 !\Author: SN !\Ref: WARNING !\Comment: WARNING 
XC6-2<=>XC6-1                                     +4.17000000E-005 +4.89000000E+000 +2.97000000E+004 !\Author: SN !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.68000000E+014 -2.27000000E+000 +3.08600000E+004 /
PLOG /                           +1.00000000E-001 +2.45000000E+008 +1.00000000E-001 +3.07100000E+004 /
PLOG /                           +1.00000000E+000 +9.79000000E-001 +3.10000000E+000 +2.94000000E+004 /
PLOG /                           +1.00000000E+001 +2.72000000E-003 +4.10000000E+000 +2.93900000E+004 /
PLOG /                           +1.00000000E+002 +2.58000000E-003 +4.24000000E+000 +2.99200000E+004 /
PLOG /                           +1.00000000E+003 +4.17000000E-005 +4.89000000E+000 +2.97000000E+004 /
XC6D13=XC6D13-1AR+H                               +8.05000000E+056 -1.15200000E+001 +1.21820000E+005 !\Author: SN !WAGNON1@LLNL.GOV !AS C3H6=C3H5-A+H YE PROCI 35(2015) 223-230 !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +9.16000000E+074 -1.76100000E+001 +1.20370000E+005 /
PLOG /                           +1.00000000E-002 +2.98000000E+054 -1.23200000E+001 +1.01200000E+005 /
PLOG /                           +1.00000000E-001 +1.73000000E+070 -1.60100000E+001 +1.19510000E+005 /
PLOG /                           +1.00000000E-001 +1.38000000E+043 -8.87000000E+000 +9.63650000E+004 /
PLOG /                           +1.00000000E+000 +1.08000000E+071 -1.59100000E+001 +1.24860000E+005 /
PLOG /                           +1.00000000E+000 +6.28000000E+042 -8.51000000E+000 +9.80040000E+004 /
PLOG /                           +1.00000000E+001 +6.40000000E+065 -1.42190000E+001 +1.24980000E+005 /
PLOG /                           +1.00000000E+001 +4.73000000E+035 -6.26000000E+000 +9.56440000E+004 /
PLOG /                           +1.00000000E+002 +8.05000000E+056 -1.15200000E+001 +1.21820000E+005 /
PLOG /                           +1.00000000E+002 +4.35000000E+028 -4.06000000E+000 +9.31140000E+004 /
XC6D13<=>C3H5-T+C3H5-T                            +2.15000000E+064 -1.34000000E+001 +1.35000000E+005 !\Author: SN WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.88000000E+078 -1.87000000E+001 +1.30000000E+005 /
PLOG /                           +1.00000000E-002 +1.69000000E+059 -1.36000000E+001 +1.13290000E+005 /
PLOG /                           +1.00000000E-001 +8.73000000E+076 -1.79000000E+001 +1.32000000E+005 /
PLOG /                           +1.00000000E-001 +2.00000000E+060 -1.37000000E+001 +1.14890000E+005 /
PLOG /                           +1.00000000E+000 +5.80000000E+075 -1.72000000E+001 +1.34000000E+005 /
PLOG /                           +1.00000000E+000 +6.70000000E+054 -1.18000000E+001 +1.13840000E+005 /
PLOG /                           +1.00000000E+001 +8.12000000E+071 -1.58000000E+001 +1.36000000E+005 /
PLOG /                           +1.00000000E+001 +1.06000000E+047 -9.27000000E+000 +1.11510000E+005 /
PLOG /                           +1.00000000E+002 +2.15000000E+064 -1.34000000E+001 +1.35000000E+005 /
PLOG /                           +1.00000000E+002 +7.29000000E+038 -6.70000000E+000 +1.08740000E+005 /
XC6D1-3=XC6D13+H                                  +1.33000000E+052 -1.07500000E+001 +7.43500000E+004 !\Author: SN !WAGNON1@LLNL.GOV !LI JPCA 121(2017) 7433-7445 C4H71-3=C4H6+H !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +1.38000000E+068 -1.66600000E+001 +7.06100000E+004 /
PLOG /                           +1.00000000E-002 +4.87000000E+041 -9.36000000E+000 +5.49300000E+004 /
PLOG /                           +1.00000000E-001 +2.04000000E+065 -1.54700000E+001 +7.18500000E+004 /
PLOG /                           +1.00000000E-001 +2.09000000E+035 -7.16000000E+000 +5.36700000E+004 /
PLOG /                           +1.00000000E+000 +1.25000000E+062 -1.42000000E+001 +7.32000000E+004 /
PLOG /                           +1.00000000E+000 +7.81000000E+029 -5.28000000E+000 +5.26000000E+004 /
PLOG /                           +1.00000000E+001 +1.06000000E+060 -1.32700000E+001 +7.57400000E+004 /
PLOG /                           +1.00000000E+001 +5.46000000E+024 -3.52000000E+000 +5.15500000E+004 /
PLOG /                           +1.00000000E+002 +1.33000000E+052 -1.07500000E+001 +7.43500000E+004 /
PLOG /                           +1.00000000E+002 +1.59000000E+019 -1.67000000E+000 +5.02200000E+004 /
XC6D1-4=XC6D13+H                                  +1.91000000E+029 -4.64000000E+000 +4.59600000E+004 !\Author: SN !WAGNON1@LLNL.GOV ! !C4H71-4=C4H6+H LI JPCA 121(2017) 7433-7445 !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +6.57000000E+061 -1.53400000E+001 +5.35100000E+004 /
PLOG /                           +1.00000000E-002 +2.48000000E+031 -6.49000000E+000 +3.86300000E+004 /
PLOG /                           +1.00000000E-001 +2.61000000E+055 -1.30500000E+001 +5.32000000E+004 /
PLOG /                           +1.00000000E-001 +1.57000000E+029 -5.70000000E+000 +3.82900000E+004 /
PLOG /                           +1.00000000E+000 +1.85000000E+050 -1.12100000E+001 +5.32900000E+004 /
PLOG /                           +1.00000000E+000 +1.20000000E+024 -3.93000000E+000 +3.72900000E+004 /
PLOG /                           +1.00000000E+001 +5.76000000E+044 -9.32000000E+000 +5.31400000E+004 /
PLOG /                           +1.00000000E+001 +2.75000000E+019 -2.34000000E+000 +3.63600000E+004 /
PLOG /                           +1.00000000E+002 +1.91000000E+029 -4.64000000E+000 +4.59600000E+004 /
PLOG /                           +1.00000000E+002 +6.41000000E+020 -2.84000000E+000 +3.65400000E+004 /
XC6D13+H<=>XC6D13-1AR+H2                          +7.20000000E+005 +2.45500000E+000 +4.36120000E+003 !\Author: SN !\Ref: WARNING !\Comment: WARNING 
XC6D13+CH3<=>XC6D13-1AR+CH4                       +1.10000000E+002 +3.27000000E+000 +6.00000000E+003 !\Author: SN !\Ref: PRIMARY ALLYLIC RATE !RULE !\Comment: WARNING 
C3H5-T+C3H6=XC6D1-4                               +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
B13DE2M-3+CH3=XC6D13                              +2.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: SN !\Ref: WARNING !\Comment: WARNING 
B13DE2M-3=BUTA123TRIENE+CH3                       +2.50000000E+010 +1.22866000E+000 +5.70000000E+004 !\Author: SN !\Ref: WARNING !\Comment: WARNING 
XC6D2+H<=>BC5H10+CH3                              +1.00000000E+011 +1.30355330E+000 +1.50855325E+004 !\Author: SN !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +3.00000000E+019 -1.71979462E+000 +7.30358052E+003 /
PLOG /                           +1.00000000E-001 +1.25000000E+027 -3.85920702E+000 +1.30947947E+004 /
PLOG /                           +1.00000000E+000 +4.16000000E+031 -5.03135957E+000 +1.83405586E+004 /
PLOG /                           +1.00000000E+001 +4.30000000E+026 -3.39703976E+000 +1.94913021E+004 /
PLOG /                           +1.00000000E+002 +1.00000000E+011 +1.30355330E+000 +1.50855325E+004 /
B13DE2MJ=C5H6+H                                   +4.00000000E+011 +0.00000000E+000 +2.10000000E+004 !\Author: SN !\Ref: WARNING !\Comment: WARNING 
B12DE3M+H=BC5H9-C                                 +4.22000000E+052 -1.16400000E+001 +2.22620000E+004 !\Author: SN C3H4-A+H=C3H5-T !\Ref: MILLER ET AL. J. PHYS. CHEM. A 2008, 112, 9429-9438 !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +6.44000000E+102 -2.75100000E+001 +5.17680000E+004 /
PLOG /                           +1.00000000E-003 +1.10000000E+054 -1.42900000E+001 +1.08090000E+004 /
PLOG /                           +3.90000000E-002 +1.55000000E+053 -1.31000000E+001 +1.44720000E+004 /
PLOG /                           +3.90000000E-002 +9.88000000E+044 -1.12100000E+001 +8.21200000E+003 /
PLOG /                           +1.00000000E+000 +1.90000000E+053 -1.25900000E+001 +1.67260000E+004 /
PLOG /                           +1.00000000E+000 +2.82000000E+040 -9.42000000E+000 +7.85000000E+003 /
PLOG /                           +1.00000000E+001 +7.96000000E+051 -1.18200000E+001 +1.82860000E+004 /
PLOG /                           +1.00000000E+001 +2.60000000E+035 -7.57000000E+000 +7.14700000E+003 /
PLOG /                           +1.00000000E+002 +4.22000000E+052 -1.16400000E+001 +2.22620000E+004 /
PLOG /                           +1.00000000E+002 +9.88000000E+029 -5.53000000E+000 +6.58100000E+003 /
XC6D13+H=C3H5-T+C3H6                              +3.00000000E+035 -5.72200000E+000 +2.96590000E+004 !\Author: SN !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.80000000E+022 -2.33900000E+000 +1.08780000E+004 /
PLOG /                           +1.00000000E-003 +2.20000000E+040 -7.80100000E+000 +2.10770000E+004 /
PLOG /                           +1.00000000E-002 +1.26000000E+024 -2.86200000E+000 +1.23470000E+004 /
PLOG /                           +1.00000000E-002 +6.40000000E+046 -9.59500000E+000 +2.66120000E+004 /
PLOG /                           +1.00000000E-001 +2.00000000E+030 -4.62700000E+000 +1.74660000E+004 /
PLOG /                           +1.00000000E-001 +5.20000000E+053 -1.14260000E+001 +3.41050000E+004 /
PLOG /                           +1.00000000E+000 +1.32000000E+037 -6.43100000E+000 +2.36590000E+004 /
PLOG /                           +1.00000000E+000 +1.50000000E+058 -1.25010000E+001 +4.16340000E+004 /
PLOG /                           +1.00000000E+001 +8.70000000E+039 -7.11800000E+000 +2.84430000E+004 /
PLOG /                           +1.00000000E+001 +9.20000000E+057 -1.22330000E+001 +4.76570000E+004 /
PLOG /                           +1.00000000E+002 +3.00000000E+035 -5.72200000E+000 +2.96590000E+004 /
PLOG /                           +1.00000000E+002 +8.40000000E+051 -1.03410000E+001 +5.12300000E+004 /
B13DE2M+H=B12DE3M+H                               +4.10000000E+013 +5.42000000E-001 +2.08940000E+004 !\Author: SN !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +8.10000000E+033 -6.16000000E+000 +2.38500000E+004 /
PLOG /                           +1.00000000E-002 +2.65000000E+014 +1.20000000E-001 +1.70200000E+004 /
PLOG /                           +1.00000000E-001 +1.95000000E+035 -6.20000000E+000 +2.71900000E+004 /
PLOG /                           +1.00000000E-001 +6.37000000E+013 +3.30000000E-001 +1.79800000E+004 /
PLOG /                           +1.00000000E+000 +3.23000000E+034 -5.68000000E+000 +3.01300000E+004 /
PLOG /                           +1.00000000E+000 +6.98000000E+009 +1.48000000E+000 +1.77600000E+004 /
PLOG /                           +1.00000000E+001 +4.10000000E+013 +5.42000000E-001 +2.08940000E+004 /
PLOG /  1.00E+02  7.87E+21   -1.670   30680 / 
PLOG /  1.00E+02  4.56E+12   -0.010   19300 / ! FIT BTW. 298 AND 2000 K WITH MAE OF 8.7%, 21.5%

B12DE3M=B13DE2M                                   +1.86000000E+072 -1.69100000E+001 +1.02000000E+005 !\Author: SN !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +3.95000000E-002 +3.24000000E+078 -1.89000000E+001 +1.03000000E+005 /
PLOG /                           +7.89000000E-002 +1.74000000E+077 -1.84600000E+001 +1.04000000E+005 /
PLOG /                           +1.58000000E-001 +7.08000000E+074 -1.77100000E+001 +1.03000000E+005 /
PLOG /                           +3.16000000E-001 +1.86000000E+072 -1.69100000E+001 +1.02000000E+005 /
C2H2+H2CC=BUTA123TRIENE                           +1.47000000E+040 -7.69000000E+000 +3.79900000E+004 !\Author: SN !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +5.80000000E+049 -1.16900000E+001 +2.39500000E+004 /
PLOG /                           +9.86900000E-004 +7.22000000E+187 -5.54300000E+001 +6.99400000E+004 /
PLOG /                           +9.86900000E-003 +1.51000000E+052 -1.20300000E+001 +2.97900000E+004 /
PLOG /                           +9.86900000E-003 +8.71000000E+082 -2.24400000E+001 +3.34300000E+004 /
PLOG /                           +9.86900000E-002 +1.05000000E+043 -9.83000000E+000 +2.02100000E+004 /
PLOG /                           +9.86900000E-002 +5.74000000E+053 -1.21500000E+001 +3.58300000E+004 /
PLOG /                           +9.86900000E-001 +2.22000000E+050 -1.09600000E+001 +3.67200000E+004 /
PLOG /                           +9.86900000E-001 +1.10000000E+041 -9.11000000E+000 +2.07500000E+004 /
PLOG /                           +9.86900000E+000 +2.15000000E+046 -9.63000000E+000 +3.74300000E+004 /
PLOG /                           +9.86900000E+000 +6.63000000E+037 -8.01000000E+000 +2.17500000E+004 /
PLOG /                           +9.86900000E+001 +1.47000000E+040 -7.69000000E+000 +3.79900000E+004 /
PLOG /                           +9.86900000E+001 +5.37000000E+030 -5.91000000E+000 +2.07000000E+004 /
C2H2+H2CC=MCP                                     +3.71000000E+033 -6.21000000E+000 +1.82700000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +8.89000000E+055 -1.27600000E+001 +5.66400000E+004 /
PLOG /                           +9.86900000E-004 +6.50000000E+029 -6.45000000E+000 +1.21700000E+004 /
PLOG /                           +9.86900000E-003 +2.95000000E+058 -1.30800000E+001 +6.56100000E+004 /
PLOG /                           +9.86900000E-003 +2.22000000E+022 -4.02000000E+000 +9.79600000E+003 /
PLOG /                           +9.86900000E-002 +4.59000000E+035 -6.79000000E+000 +4.26200000E+004 /
PLOG /                           +9.86900000E-002 +2.57000000E+012 -1.12000000E+000 +1.85700000E+003 /
PLOG /                           +9.86900000E-001 +1.34000000E+042 -8.31000000E+000 +5.07100000E+004 /
PLOG /                           +9.86900000E-001 +1.69000000E+033 -6.98000000E+000 +1.10600000E+004 /
PLOG /                           +9.86900000E+000 +1.73000000E+176 -4.28900000E+001 +2.37200000E+005 /
PLOG /                           +9.86900000E+000 +1.58000000E+032 -6.23000000E+000 +1.30200000E+004 /
PLOG /                           +9.86900000E+001 +3.71000000E+033 -6.21000000E+000 +1.82700000E+004 /
PLOG /                           +9.86900000E+001 +5.91000000E+074 -1.97300000E+001 +2.69600000E+004 /
MCP=C4H4                                          +5.81000000E+047 -9.59000000E+000 +7.17200000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +4.39000000E+059 -1.35200000E+001 +8.98300000E+004 /
PLOG /                           +9.86900000E-004 +1.53000000E+051 -1.21700000E+001 +5.55400000E+004 /
PLOG /                           +9.86900000E-003 +1.08000000E+065 -1.45500000E+001 +1.02000000E+005 /
PLOG /                           +9.86900000E-003 +7.02000000E+048 -1.11400000E+001 +5.62300000E+004 /
PLOG /                           +9.86900000E-002 +6.75000000E+092 -2.14200000E+001 +1.45500000E+005 /
PLOG /                           +9.86900000E-002 +1.88000000E+044 -9.49000000E+000 +5.60000000E+004 /
PLOG /                           +9.86900000E-001 +3.57000000E+183 -4.44300000E+001 +2.85500000E+005 /
PLOG /                           +9.86900000E-001 +8.81000000E+037 -7.39000000E+000 +5.46400000E+004 /
PLOG /                           +9.86900000E+000 +1.05000000E+037 -6.85000000E+000 +5.72400000E+004 /
PLOG /                           +9.86900000E+000 +2.89000000E+113 -3.13300000E+001 +7.97600000E+004 /
PLOG /                           +9.86900000E+001 +5.81000000E+047 -9.59000000E+000 +7.17200000E+004 /
PLOG /                           +9.86900000E+001 +4.45000000E+023 -3.10000000E+000 +4.79200000E+004 /
MCP=BUTA123TRIENE                                 +1.55000000E+058 -1.24600000E+001 +9.05800000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +2.37000000E+082 -1.97700000E+001 +1.28100000E+005 /
PLOG /                           +9.86900000E-004 +3.92000000E+041 -9.35000000E+000 +6.98200000E+004 /
PLOG /                           +9.86900000E-003 +9.40000000E+027 -4.84000000E+000 +7.81100000E+004 /
PLOG /                           +9.86900000E-003 +2.30000000E+027 -5.01000000E+000 +6.21200000E+004 /
PLOG /                           +9.86900000E-002 +1.56000000E+046 -9.49000000E+000 +9.29700000E+004 /
PLOG /                           +9.86900000E-002 +1.75000000E+040 -8.67000000E+000 +6.58300000E+004 /
PLOG /                           +9.86900000E-001 +8.11000000E+106 -2.50600000E+001 +1.75100000E+005 /
PLOG /                           +9.86900000E-001 +2.72000000E+043 -9.15000000E+000 +6.93300000E+004 /
PLOG /                           +9.86900000E+000 +1.90000000E+042 -8.39000000E+000 +7.20400000E+004 /
PLOG /                           +9.86900000E+000 +2.10000000E+183 -5.32400000E+001 +1.17700000E+005 /
PLOG /                           +9.86900000E+001 +1.55000000E+058 -1.24600000E+001 +9.05800000E+004 /
PLOG /                           +9.86900000E+001 +7.94000000E+029 -4.79000000E+000 +6.48800000E+004 /
BUTA123TRIENE=C4H4                                +1.09000000E+049 -9.57000000E+000 +1.08000000E+005 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +9.86900000E-004 +2.42000000E+064 -1.52600000E+001 +9.65600000E+004 /
PLOG /                           +9.86900000E-004 +1.55000000E+198 -5.76500000E+001 +1.40200000E+005 /
PLOG /                           +9.86900000E-003 +3.51000000E+066 -1.55200000E+001 +1.01800000E+005 /
PLOG /                           +9.86900000E-003 +2.21000000E+096 -2.56900000E+001 +1.03800000E+005 /
PLOG /                           +9.86900000E-002 +4.56000000E+073 -1.71500000E+001 +1.12700000E+005 /
PLOG /                           +9.86900000E-002 +6.21000000E+046 -1.00300000E+001 +8.71800000E+004 /
PLOG /                           +9.86900000E-001 +4.12000000E+054 -1.23400000E+001 +9.21400000E+004 /
PLOG /                           +9.86900000E-001 +3.31000000E+064 -1.43200000E+001 +1.09300000E+005 /
PLOG /                           +9.86900000E+000 +9.36000000E+047 -1.02900000E+001 +9.16600000E+004 /
PLOG /                           +9.86900000E+000 +2.88000000E+058 -1.24000000E+001 +1.09400000E+005 /
PLOG /                           +9.86900000E+001 +1.09000000E+049 -9.57000000E+000 +1.08000000E+005 /
PLOG /                           +9.86900000E+001 +7.31000000E+039 -7.95000000E+000 +8.98100000E+004 /
IC5D1T3+H=B13DE2M-3                               +1.50000000E+048 -1.05800000E+001 +1.88000000E+004 !\Author: SN !WAGNON1@LLNL.GOV !WANG JPCA 98(1994) 11465-11489 C4H4 !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.32000000E-002 +6.10000000E+053 -1.31900000E+001 +1.42000000E+004 /
PLOG /                           +2.63000000E-002 +8.60000000E+052 -1.28500000E+001 +1.43000000E+004 /
PLOG /                           +1.20000000E-001 +2.10000000E+052 -1.24400000E+001 +1.55000000E+004 /
PLOG /                           +1.00000000E+000 +4.90000000E+051 -1.19200000E+001 +1.77000000E+004 /
PLOG /                           +1.00000000E+001 +1.50000000E+048 -1.05800000E+001 +1.88000000E+004 /
IC5D1T3-4J+H2<=>H+IC5D1T3                         +4.10000000E+005 +2.39000000E+000 +8.64000000E+002 !\Author: SN !ACETYLENE !\Ref: L.B. HARDING ET AL. J. CHEM. PHYS. 76, 10(1982) 5172 !\Comment: WARNING 
C3H5-T+C2H=IC5D1T3                                +1.00000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
C3H5-T+C2H2<=>IC5D1T3+H                           +4.90000000E+016 -1.13000000E+000 +1.18000000E+004 !\Author: SN !\Ref: WARNING PRIMARY !SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
PLOG /                           +1.32000000E-002 +7.20000000E+013 -4.80000000E-001 +6.10000000E+003 /
PLOG /                           +2.63000000E-002 +5.00000000E+014 -7.10000000E-001 +6.70000000E+003 /
PLOG /                           +1.20000000E-001 +4.60000000E+016 -1.25000000E+000 +8.40000000E+003 /
PLOG /                           +1.00000000E+000 +2.00000000E+018 -1.68000000E+000 +1.06000000E+004 /
PLOG /                           +1.00000000E+001 +4.90000000E+016 -1.13000000E+000 +1.18000000E+004 /
IC5D1T3-1J+C2H2=>C6H5CH2                          +2.02000000E+029 -5.20700000E+000 +3.65760000E+004 !\Author: SN !\Ref: C3H5-A+C2H2 !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +2.26000000E+018 -3.82500000E+000 +2.16750000E+004 /
PLOG /                           +1.00000000E-002 +1.67000000E+019 -3.81700000E+000 +2.13020000E+004 /
PLOG /                           +1.00000000E-001 +5.86000000E+024 -5.08200000E+000 +2.46630000E+004 /
PLOG /                           +1.00000000E+000 +5.94000000E+030 -6.43000000E+000 +2.96020000E+004 /
PLOG /                           +1.00000000E+001 +1.92000000E+033 -6.74700000E+000 +3.40910000E+004 /
PLOG /                           +1.00000000E+002 +2.02000000E+029 -5.20700000E+000 +3.65760000E+004 /
IC5D1T3-1V<=>CH3+C4H2                             +4.85000000E+047 -1.00010000E+001 +4.68620000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +3.14000000E+047 -1.18310000E+001 +3.74440000E+004 /
PLOG /                           +1.00000000E-002 +3.15000000E+051 -1.26640000E+001 +3.99660000E+004 /
PLOG /                           +1.00000000E-001 +1.57000000E+055 -1.33670000E+001 +4.32830000E+004 /
PLOG /                           +1.00000000E+000 +5.73000000E+056 -1.34240000E+001 +4.62070000E+004 /
PLOG /                           +1.00000000E+001 +4.57000000E+054 -1.24130000E+001 +4.76960000E+004 /
PLOG /                           +1.00000000E+002 +4.85000000E+047 -1.00010000E+001 +4.68620000E+004 /
IC5D1T3-4J+C2H2=>C6H5CH2                          +4.80000000E+013 +0.00000000E+000 +0.00000000E+000 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
IC5D1T3+H<=>IC5D1T3-1V+H2                         +5.10100000E+002 +3.23400000E+000 +1.23570000E+004 !\Author: SN !C3H6+H<=>C3H5-S+H2 WARNING !\Ref: J.A.MILLER, S.J.KLIPPENSTEIN, J.PHYS.CHEM.A, 117(2013) 2718-2727 !\Comment: WARNING 
DUP
IC5D1T3+H<=>IC5D1T3-1V+H2                         +3.96900000E+002 +3.25200000E+000 +1.20070000E+004 !\Author: SN !C3H6+H<=>C3H5-S+H2 WARNING !\Ref: J.A.MILLER, S.J.KLIPPENSTEIN, J.PHYS.CHEM.A, 117(2013) 2718-2727 !\Comment: WARNING 
DUP
IC5D1T3+CH3<=>IC5D1T3-1V+CH4                      +7.19000000E+002 +2.93800000E+000 +1.39130000E+004 !\Author: SN !\Ref: KUN WANG, CBS-QB3 03.2014 !C3H6+CH3<=>C3H5-S+CH4 !\Comment: WARNING 
IC5D1T3+CH3<=>IC5D1T3-1J+CH4                      +5.52000000E+001 +3.27000000E+000 +7.15000000E+003 !\Author: SN !C3H6+CH3<=>C3H5-A+CH4 !\Ref: WARNING !\Comment: WARNING 
IC5D1T3+H<=>IC5D1T3-1J+H2                         +3.64400000E+005 +2.45500000E+000 +4.36120000E+003 !\Author: SN !C3H6+H<=>C3H5-A+H2 WARNING !\Ref: J.A.MILLER, S.J.KLIPPENSTEIN, J.PHYS.CHEM.A, 117(2013) 2718-2727 !\Comment: REFIT TO REMOVE NEGATIVE A-FACTOR 
C2H+C3H4-A=IC5D1T3-1J                             +9.45000000E+002 +2.67000000E+000 +6.85000000E+003 !\Author: SN !C2H3+C3H4-A<=>B13DE2MJ !\Ref: J. P. ORME, H. J. CURRAN,* AND J. M. SIMMIE J. PHYS. CHEM. A 2006, 110, 114-131. INTERNAL ADDITION TWO LARGE SPECIES !\Comment: WARNING 
XC6D2+H<=>C3H6+IC3H7                              +6.63000000E-020 +9.91000000E+000 +1.34300000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +4.87000000E+010 +6.30000000E-001 +9.80700000E+003 /
PLOG /                           +1.00000000E-001 +1.20000000E+017 -1.16000000E+000 +1.44700000E+004 /
PLOG /                           +1.00000000E+000 +3.68000000E+020 -2.06000000E+000 +1.88500000E+004 /
PLOG /                           +1.00000000E+001 +8.22000000E+015 -5.30000000E-001 +2.05400000E+004 /
PLOG /                           +1.00000000E+002 +9.13000000E+000 +3.99000000E+000 +1.82600000E+004 /
PLOG /                           +1.00000000E+003 +6.63000000E-020 +9.91000000E+000 +1.34300000E+004 /
C3H4-A+C3H5-T=XC6D13-1AR                          +1.00000000E+011 +0.00000000E+000 +7.80000000E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
B12DE3M+H=B13DE2M-3+H2                            +1.70000000E+005 +2.50000000E+000 +2.49000000E+003 !\Author: SN !\Ref: C4H612+H<=>C4H5-I+H2 WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
B12DE3M+CH3=B13DE2M-3+CH4                         +7.00000000E+013 +0.00000000E+000 +1.85000000E+004 !\Author: SN !\Ref: C4H612+CH3<=>C4H5-I+CH4 WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\Comment: WARNING 
IC5T1=B12DE3M                                     +6.90000000E+013 +0.00000000E+000 +6.45695520E+004 !\Author: SN !\Ref: C4H6-2<=>C4H612PEUKERT ET AL.ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL 223 427-446 2009 !\Comment: WARNING 
C4H6-2+CH3=BC5H9-C                                +1.42000000E+042 -8.91000000E+000 +2.22350000E+004 !\Author: SN !\Ref: CH3+C2H2=C3H5-S MILLER ET AL. J. PHYS. CHEM. A 2008, 112, 9429-9438 !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +1.78000000E+042 -1.04000000E+001 +1.36470000E+004 /
PLOG /                           +3.90000000E-002 +4.32000000E+037 -8.79000000E+000 +1.35940000E+004 /
PLOG /                           +1.00000000E+000 +1.19000000E+044 -1.01900000E+001 +1.87280000E+004 /
PLOG /                           +1.00000000E+000 +8.49000000E+035 -8.43000000E+000 +1.23560000E+004 /
PLOG /                           +1.00000000E+001 +6.02000000E+043 -9.74000000E+000 +2.05610000E+004 /
PLOG /                           +1.00000000E+001 +3.04000000E+032 -7.01000000E+000 +1.23570000E+004 /
PLOG /                           +1.00000000E+002 +1.42000000E+042 -8.91000000E+000 +2.22350000E+004 /
PLOG /                           +1.00000000E+002 +1.69000000E+027 -5.07000000E+000 +1.16900000E+004 /
IC5T1+CH3=IC5T1-3+CH4                             +1.40000000E+002 +2.92000000E+000 +4.30000000E+003 !\Author: SN !\Ref: ESTIMATE !\Comment: WARNING 
IC5T1+H=IC5T1-3+H2                                +2.00000000E+004 +2.20000000E+000 +2.50000000E+003 !\Author: SN !\Ref: ESTIMATE !\Comment: WARNING 
IC5D1T3+H<=>IC5T1-3                               +4.46407033E+023 -2.83965302E+000 +6.67801904E+003 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +5.73956633E+061 -1.53227045E+001 +1.70532182E+004 /
PLOG /                           +1.00000000E-001 +1.35152506E+057 -1.35640258E+001 +1.71159581E+004 /
PLOG /                           +1.00000000E+000 +1.18344142E+047 -1.02255249E+001 +1.46880129E+004 /
PLOG /                           +1.00000000E+001 +1.17235992E+036 -6.69847535E+000 +1.13111983E+004 /
PLOG /                           +1.00000000E+002 +4.46407033E+023 -2.83965302E+000 +6.67801904E+003 /
IC5T1+CH3=IC5T1-4+CH4                             +9.00000000E-001 +3.65000000E+000 +7.15400000E+003 !\Author: SN !\Ref: ALKANE RATE RULE !\Comment: WARNING 
IC5T1+H=IC5T1-4+H2                                +1.56000000E+008 +1.94300000E+000 +7.89832500E+003 !\Author: SN !IC4H10+H<=>IC4H9+H2 !\Ref: WARNING !\Comment: WARNING 
!DONG 0605!IC5T1-4=C2H+C3H6                                  +1.33000000E+016 -7.70000000E-001 +3.06600000E+004 !\Author: SN !\Ref: AC5H11<=>C3H6+C2H5 !\Comment: WARNING 
!DONG 0605!PLOG /                           +1.00000000E-002 +1.09000000E+045 -1.05200000E+001 +3.71900000E+004 /
!DONG 0605!PLOG /                           +1.00000000E-001 +8.30000000E+036 -7.69000000E+000 +3.56700000E+004 /
!DONG 0605!PLOG /                           +1.00000000E+000 +3.02000000E+028 -4.85000000E+000 +3.37500000E+004 /
!DONG 0605!PLOG /                           +1.00000000E+001 +1.30000000E+023 -3.06000000E+000 +3.24900000E+004 /
!DONG 0605!PLOG /                           +1.00000000E+002 +2.89000000E+019 -1.85000000E+000 +3.15900000E+004 /
!DONG 0605!PLOG /                           +1.00000000E+003 +1.33000000E+016 -7.70000000E-001 +3.06600000E+004 /
IC5T1-4=C2H+C3H6                                   4.56E+21 -2.48 6.59E+04
IC5T1-4=CH3+C4H4                                  +3.61000000E+015 -5.70000000E-001 +3.26000000E+004 !\Author: SN ! !AC5H11<=>C4H8-1+CH3 !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-002 +2.50000000E+047 -1.13800000E+001 +3.95500000E+004 /
PLOG /                           +1.00000000E-001 +1.22000000E+039 -8.43000000E+000 +3.81600000E+004 /
PLOG /                           +1.00000000E+000 +5.55000000E+029 -5.26000000E+000 +3.61000000E+004 /
PLOG /                           +1.00000000E+001 +3.20000000E+023 -3.17000000E+000 +3.46600000E+004 /
PLOG /                           +1.00000000E+002 +1.97000000E+019 -1.78000000E+000 +3.36400000E+004 /
PLOG /                           +1.00000000E+003 +3.61000000E+015 -5.70000000E-001 +3.26000000E+004 /
XC6D13=C3H4-P+C3H6                                +8.91251000E+051 -1.09100000E+001 +1.08700000E+005 !\Author: SN !C4H6<=>C2H2+C2H4JAMES P. A. LOCKHART, C. FRANKLIN GOLDSMITH, JOHN B. RANDAZZO1 AND ROBERT S. TRANTER !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +3.94737000E-002 +1.41254000E+064 -1.45500000E+001 +1.14500000E+005 /
PLOG /                           +7.89474000E-002 +3.71535000E+060 -1.34700000E+001 +1.13000000E+005 /
PLOG /                           +1.57895000E-001 +3.01995000E+056 -1.22400000E+001 +1.11100000E+005 /
PLOG /                           +3.15789000E-001 +8.91251000E+051 -1.09100000E+001 +1.08700000E+005 /
XC6D13+H=B13DE2M+CH3                              +1.26000000E+038 -6.61100000E+000 +2.52750000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +5.00000000E+015 -5.14000000E-001 +4.05400000E+003 /
PLOG /                           +1.00000000E-002 +7.10000000E+015 -5.69000000E-001 +4.06400000E+003 /
PLOG /                           +1.00000000E-001 +1.16000000E+022 -2.32700000E+000 +8.27800000E+003 /
PLOG /                           +1.00000000E+000 +3.00000000E+030 -4.67500000E+000 +1.46110000E+004 /
PLOG /                           +1.00000000E+001 +1.00000000E+037 -6.44200000E+000 +2.09020000E+004 /
PLOG /                           +1.00000000E+002 +1.26000000E+038 -6.61100000E+000 +2.52750000E+004 /
XC6D13+H=IC3H7+C3H4-P                             +4.53000000E+059 -1.30960000E+001 +5.92400000E+004 !\Author: WARNING !\Ref: WARNING !\Comment: WARNING 
PLOG /                           +1.00000000E-003 +2.45000000E+028 -4.83100000E+000 +1.98290000E+004 /
PLOG /                           +1.00000000E-003 +5.90000000E+027 -4.45100000E+000 +1.83230000E+004 /
PLOG /                           +1.00000000E-002 +2.76000000E+034 -6.52100000E+000 +2.46610000E+004 /
PLOG /                           +1.00000000E-002 +2.09000000E+024 -3.46600000E+000 +1.63110000E+004 /
PLOG /                           +1.00000000E-001 +1.69000000E+040 -8.06500000E+000 +3.05670000E+004 /
PLOG /                           +1.00000000E-001 +2.49000000E+028 -4.62800000E+000 +1.87940000E+004 /
PLOG /                           +1.00000000E+000 +1.02000000E+046 -9.55800000E+000 +3.79360000E+004 /
PLOG /                           +1.00000000E+000 +3.34000000E+037 -7.20300000E+000 +2.51760000E+004 /
PLOG /                           +1.00000000E+001 +1.67000000E+052 -1.11510000E+001 +4.72560000E+004 /
PLOG /                           +1.00000000E+001 +7.22000000E+048 -1.03450000E+001 +3.46720000E+004 /
PLOG /                           +1.00000000E+002 +4.53000000E+059 -1.30960000E+001 +5.92400000E+004 /
PLOG /                           +1.00000000E+002 +2.51000000E+059 -1.31590000E+001 +4.64570000E+004 /
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: TME
!
!
!!\KINETICS_MODULE: NOX
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
NH3+H=NH2+H2      6.4E05   2.390   10171 ! ! Michael JV Sutherland JW Klemm RB JPC 90:497 1986
NH3+O=NH2+OH      9.4E06   1.940    6460 ! ! Sutherland JW Patterson PM Klemm RB JPC 94:2471 1990
NH3+HO2=NH2+H2O2  3.0E11   0.000   22000 ! ! JAM est
NH+H2=NH2+H       2.1E13   0.000   15417 !! M.-K. Bahng and R.G. Macdonald! Determination of the Rate Constants for the Radical-Radical Reactions NH2 + NH and NH2 + H2 at 293 K}",! J. Chem. Phys. A 113 2415-2423 2009
NH2+O=HNO+H       6.6E14  -0.500       0 !       ! J.A. Miller M.D. Smooke R.M. Green R.J. Kee,! Kinetic modeling of the oxidation of ammonia in flames! Combust. Sci. Technol. 34, 149-176, 1983 
! Inomata S Washida N JPCA 103:5023-5031 1999! Dransfeld P Hack W Kurzke H Temps F Wagner HGg PCI 20:655 1984! Adamson JD Farhat SK Morter CL Glass GP Curl RF Philips LF JPC 98:5665 1994
NH2+O=NH+OH     7.0E12   0.000       0 !  
DUP
NH2+O=NH+OH     8.6E-1   4.010    1673 !           
DUP   
! Inomata S Washida N JPCA 103:5023-5031 1999! Dransfeld P Hack W Kurzke H Temps F Wagner HGg PCI 20:655 1984! Adamson JD Farhat SK Morter CL Glass GP Curl RF Philips LF JPC 98:5665 1994! Duan X Page M JCP 102:6121-6127 1995
NH2+OH=NH+H2O                        3.3E06   1.949    -217 ! ! SJ Klippenstein LB Harding B Ruscic R Sivaramakrishnan NK Srinivasan M-C Su JV Michael JPCA 113 (2009) 10241-10259.  ! SJ Klippenstein LB Harding P Glarborg JA Miller CF 158 (2011) 774-789.
NH2+HO2=HNO+H2O    1.6E7 0.55 5.25E2  ! Sumathi R, Peyerimhoff SD. Chem Phys Lett 1996;263:742-748 (ktot for nh2+ho2).
    DUP
NH2+HO2=HNO+H2O    5.7E15 -1.12 7.07E2 ! Sumathi R, Peyerimhoff SD. Chem Phys Lett 1996;263:742-748 (ktot for nh2+ho2).
    DUP
NH2+HO2=HON+H2O    2.1E07   0.640     811 ! ! Sumathi R, Peyerimhoff SD. Chem Phys Lett 1996;263:742-748.
NH2+O2=H2NO+O      2.6E11   0.4872  29050 !           ! SJ Klippenstein LB Harding P Glarborg JA Miller CF 158 (2011) 774-789.
NH2+O2=HNO+OH      2.9E-2   3.764   18185 !  ! SJ Klippenstein LB Harding P Glarborg JA Miller CF 158 (2011) 774-789.
NH2+NH2=NH3+NH     5.6E00   3.530     552 !  ! SJ Klippenstein LB Harding B Ruscic R Sivaramakrishnan NK Srinivasan M-C Su JV Michael JPCA 113 (2009) 10241-10259.  
NH2+NH=NH3+N       9.6E03   2.460     107 !  ! SJ Klippenstein LB Harding B Ruscic R Sivaramakrishnan NK Srinivasan M-C Su JV Michael JPCA 113 (2009) 10241-10259.  
NH2+N =N2+H+H      7.0E13   0.000       0 ! ! Whyte AR Phillips LF CPL 102:451 1983 
NH2+HNO=NH3+NO     5.9E02   2.950   -3469 ! ! S. Xu, M.C. Lin, Int J Chem Kinet 41: 667677, 2009
NH2+HONO=NH3+NO2   7.1E01   3.020   -4940 ! ! Mebel AM, Diau EWG, Lin MC, Morokuma K. J Phys Chem 1996;100:7517-7525.
NH2+NO2=H2NO+NO    8.6E11   0.110   -1186 !  ! P. Glarborg, J.A. Miller, B. Ruscic, S.J. Klippenstein, ! Modeling Nitrogen Chemistry in Combustion, ! Prog. Energy Combust. Sci., submitted (2017). 
NH2+NO2=N2O+H2O    2.2E11   0.110   -1186 !  ! P. Glarborg, J.A. Miller, B. Ruscic, S.J. Klippenstein, ! Modeling Nitrogen Chemistry in Combustion, ! Prog. Energy Combust. Sci., submitted (2017). 
NH+H=N+H2          3.0E13   0.000       0 ! ! Davidson DF Kohse-Hoinghaus K Chang AY Hanson RK IJCK 22:513 1990 (reverse)
NH+O=NO+H          9.2E13   0.000       0 ! ! Baulch DL Cobos CJ Cox RA Frank P Hayman G Just Th Kerr JA Murrells T Pilling MJ Troe J Walker RW Warnatz J JPCRD 23:847-1033 1994
NH+OH=HNO+H        3.2E14  -0.376     -46 !    ! SJ Klippenstein LB Harding B Ruscic R Sivaramakrishnan NK Srinivasan M-C Su JV Michael JPCA 113 (2009) 10241-10259.  
NH+OH=N+H2O        1.6E07   1.733    -576 !         ! SJ Klippenstein LB Harding B Ruscic R Sivaramakrishnan NK Srinivasan M-C Su JV Michael JPCA 113 (2009) 10241-10259.  
NH+O2=HNO+O        2.4E13   0.000   13850 ! ! Baulch DL Bowman CT Cobos CJ Cox RA Just Th Kerr JA Pilling MJ Stocker D Troe J Tsang W Walker RW Warnatz J JPCRD 34:757-1397 2005
NH+O2=NO+OH        9.9E10   0.000    1530 ! ! Baulch DL Bowman CT Cobos CJ Cox RA Just Th Kerr JA Pilling MJ Stocker D Troe J Tsang W Walker RW Warnatz J JPCRD 34:757-1397 2005
NH+NH=NH2+N        5.7E-1   3.880     342 !   ! SJ Klippenstein LB Harding B Ruscic R Sivaramakrishnan NK Srinivasan M-C Su JV Michael JPCA 113 (2009) 10241-10259.  !
NH+N=N2+H          3.0E13   0.000       0 ! ! JAM est
NH+NO=N2O+H        2.7E15  -0.780      20 !! Baulch DL Bowman CT Cobos CJ Cox RA Just Th Kerr JA Pilling MJ Stocker D Troe J Tsang W Walker RW Warnatz J JPCRD 34:757-1397 2005! N-review
NH+NO=N2+OH        6.8E14  -0.780      20 !! Baulch DL Bowman CT Cobos CJ Cox RA Just Th Kerr JA Pilling MJ Stocker D Troe J Tsang W Walker RW Warnatz J JPCRD 34:757-1397 2005! N-review
NH+HONO=NH2+NO2    1.0E13   0.000       0 ! ! JAM est
NH+NO2=N2O+OH      4.1E12   0.000       0 !! Harrison JA Whyte AR Phillips LF CPL 129:346 1986
NH+NO2=HNO+NO      5.9E12   0.000       0 ! ! Harrison JA Whyte AR Phillips LF CPL 129:346 1986
N+OH=NO+H          3.8E13   0.000       0 ! ! Flower WL Hanson RK Kruger CH CST 15:115 1977! Howard MJ Smith IWM CPL 69:40 1980
N+O2<=>NO+O        9.03E+09   1.00    6498.0   !\AUTHOR: YJZ !\Ref:Baulch et al., J. Phys. Chem. \Ref. Date, 1994, 23: 847-1033 !\COMMENT:
!N+NO<=>N2+O         11.28E12  0.14  0.0        !\AUTHOR: YJZ !\Ref:Abian, Alzueta and Glarborg, IJCK, 2015, 47(8): 518-532 !\COMMENT: 1.2A_9.4E12

!! N+NO(=)N2+O                                       +1.12800000E+013 +1.40000000E-001 +0.00000000E+000 !\Author: YJZ !\Ref: ABIAN, ALZUETA AND GLARBORG, IJCK, 2015, 47(8) !\Comment: 1.2A_9.4E12
N+NO=N2+O    1.176E10 0.935 -1.359E3  !! Tamas 2018
NNH=N2+H              1.0E09   0.000       0 !     ! SJ Klippenstein LB Harding P Glarborg JA Miller CF 158 (2011) 774-789.
NNH+H=N2+H2           1.0E14   0.000       0 !! JAM est
NNH+O=N2O+H           1.9E14  -0.274     -22 !! SJ Klippenstein LB Harding P Glarborg JA Miller CF 158 (2011) 774-789.
NNH+O=N2+OH           1.2E13   0.145    -217 !! SJ Klippenstein LB Harding P Glarborg JA Miller CF 158 (2011) 774-789.
NNH+O=NH+NO           5.2E11   0.381    -409 !! SJ Klippenstein LB Harding P Glarborg JA Miller CF 158 (2011) 774-789.
NNH+OH=N2+H2O         5.0E13   0.000       0 !! JAM est
NNH+O2=N2+HO2         5.6E14  -0.385     -13 !! SJ Klippenstein LB Harding P Glarborg JA Miller CF 158 (2011) 774-789.
NNH+NH =N2+NH2        5.0E13   0.000       0 !! JAM est
NNH+NH2=N2+NH3        5.0E13   0.000       0 !! JAM est
NNH+NO=N2+HNO         5.0E13   0.000       0 !! JAM est!
NH2OH(+M)=NH2+OH(+M)  1.4E20  -1.310   64080 !! SJ Klippenstein LB Harding B Ruscic R Sivaramakrishnan NK Srinivasan M-C Su JV Michael JPCA 113 (2009) 10241-10259.
 LOW  /5.4E37 -5.96 66783/                                  !! SJ Klippenstein LB Harding B Ruscic R Sivaramakrishnan NK Srinivasan M-C Su JV Michael JPCA 113 (2009) 10241-10259.
 TROE /0.31 1E-30 1E30 1E30/                                !! SJ Klippenstein LB Harding B Ruscic R Sivaramakrishnan NK Srinivasan M-C Su JV Michael JPCA 113 (2009) 10241-10259.
NH2OH+H=HNOH+H2       4.8E08   1.50     6249 !    ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
NH2OH+H=H2NO+H2       2.4E08   1.50     5067 !    ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
NH2OH+O=HNOH+OH       3.3E08   1.50     3865 !   ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
NH2OH+O=H2NO+OH       1.7E08   1.50     3010 !  ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
NH2OH+OH=HNOH+H2O     1.5E04   2.61    -3537 !  ! SJ Klippenstein LB Harding B Ruscic R Sivaramakrishnan NK Srinivasan M-C Su JV Michael JPCA 113 (2009) 10241-10259.  
NH2OH+OH=H2NO+H2O     1.5E05   2.28    -1296 !  ! SJ Klippenstein LB Harding B Ruscic R Sivaramakrishnan NK Srinivasan M-C Su JV Michael JPCA 113 (2009) 10241-10259.  
NH2OH+NH2=HNOH+NH3    1.1E-1   4.00      -97 ! ! SJ Klippenstein LB Harding B Ruscic R Sivaramakrishnan NK Srinivasan M-C Su JV Michael JPCA 113 (2009) 10241-10259.  
NH2OH+NH2=H2NO+NH3    9.5E00   3.42    -1013 ! ! SJ Klippenstein LB Harding B Ruscic R Sivaramakrishnan NK Srinivasan M-C Su JV Michael JPCA 113 (2009) 10241-10259.  
NH2OH+NH=HNOH+NH2     2.9E-3   4.40     1564 ! ! SJ Klippenstein LB Harding B Ruscic R Sivaramakrishnan NK Srinivasan M-C Su JV Michael JPCA 113 (2009) 10241-10259.  
NH2OH+NH=H2NO+NH2     1.5E-3   4.60     2424 !  SJ Klippenstein LB Harding B Ruscic R Sivaramakrishnan NK Srinivasan M-C Su JV Michael JPCA 113 (2009) 10241-10259.  
NH2OH+HO2=HNOH+H2O2   2.9E04   2.69     9557 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
NH2OH+HO2=H2NO+H2O2   1.4E04   2.69     6418 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
H2NO+M=HNO+H+M        2.8E24  -2.830   64915 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
 H2O/10/
H2NO+M=HNOH+M         1.1E29  -4.000   44000 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
 H2O/10/
H2NO+H=HNO+H2         3.0E07   2.000    2000 ! ! JAM est
H2NO+H=NH2+OH         5.0E13   0.000       0 ! ! JAM est
H2NO+O=HNO+OH         3.0E07   2.000    2000 ! ! JAM est
H2NO+OH=HNO+H2O       1.0E14   0.000       0 ! ! Sun F DeSain JD Scott G Hung PY Thompson RI Glass GP Curl RF JPCA 105:6121-6128 2001
H2NO+HO2=HNO+H2O2     2.9E04   2.690   -1600 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
H2NO+NH2=HNO+NH3                     3.0E12   0.000    1000 ! ! JAM est
H2NO+NO=HNO+HNO                      2.0E04   2.000   13000 ! ! JAM est
H2NO+NO2=HONO+HNO                    4.4E04   2.640    4040 ! #N#! est as HNO+NO2
HNOH+M=HNO+H+M                       2.0E24  -2.840   58934 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
 H2O/10/
HNOH+H=NH2+OH                        4.0E13   0.000       0 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
HNOH+H=HNO+H2                        4.8E08   1.500     378 !! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
HNOH+O=HNO+OH    7.0E13 0.0 0.0E0   ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
    DUP
HNOH+O=HNO+OH    3.3E8 1.5 -3.58E2   ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
    DUP
HNOH+OH=HNO+H2O    2.4E06   2.000   -1192 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
HNOH+HO2=HNO+H2O2  2.9E04   2.690   -1600 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
HNOH+HO2=NH2OH+O2  2.9E04   2.690   -1600 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
HNOH+O2=HNO+HO2    3.0E12   0.000   25000 ! ! JAM est
HNOH+NH2=NH3+HNO   1.8E06   1.940   -1152 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
HNOH+NO2=HONO+HNO  6.0E11   0.000    2000 ! ! JAM est
HNO+H=NO+H2        6.6E10   0.940     495 ! #170205! MT Nguyen S Zhang J Peeters TN TRuong MT Nguyen Chem Phys Lett 2004 388 94-99
HNO+O=NO+OH        2.3E13   0.000       0 ! ! Inomata S Washida N JPCA 103:5023-5031 1999
HNO+HO2=HNO2+OH    2.0E03   2.360    8980 ! #170205 ! SH Mousavipour SS Asemani J phys Chem A 2015 119 5553-5565!
HNO+HNO=N2O+H2O    9.0E08   0.000    3100 ! ! NBS91      Tsang W JPCRD 20:221 1991
NO+HO2=NO2+OH   2.1E12   0.000    -497 ! ! Baulch DL Bowman CT Cobos CJ Cox RA Just Th Kerr JA Pilling MJ Stocker D Troe J Tsang W Walker RW Warnatz J JPCRD 34:757-1397 2005
NO+O(+M)=NO2(+M)    1.3E15 -0.75 0.0E0  !\Author: YJZ !\Ref: TSANG AND HERRON, JPCRD, 1991,20(4) !\Comment: WARNING
    AR/0.6/
    O2/0.8/
    NO/1.8/
    N2O/4.4/
    CO2/6.0/
    NO2/6.2/
    H2O/10.0/
    LOW/9.44E24 -2.87E0 1.551E3/
    TROE/9.62E-1 1.0E1 7.962E3/
!\Author: YJZ !\Ref: TSANG AND HERRON, JPCRD, 1991,20(4) !\Comment: BIG EFFECT ON CO 1.5A_3.91E12
!!NO2+O=NO+O2    5.86E12 0.0 -2.38E2
!! Li Y., S. J., Mevel Physical Chemistry Chemical Physics, 2021,
!NO2+O=NO+O2    5.08E+15 -1.035 +54.0
!DUP
!NO2+O=NO+O2    4.24E+16 -0.861 12.178E+3
!DUP
NO2+O=NO+O2                                                  +5.1800000E+015 -1.0350000E+000 +5.3991400E+001   !\AUTHOR: SC !\REF: Li et al., Phys. Chem. Chem. Phys., 2021, 23, 585-596 !\COMMENT: big effect on CO 2A 
DUP
NO2+O=NO+O2                                                  +8.4800000E+016 -8.6100000E-001 +1.2164071E+004   !\AUTHOR: !\REF: !\COMMENT: 
DUP
NO2+HO2=HONO+O2      1.9E00   3.320    3044 ! ! CL Rasmussen J Hansen P Marshall P Glarborg IJCK 40, 454-480 (2008)
NO2+HO2=HNO2+O2      1.9E01   3.260    4983 ! ! CL Rasmussen J Hansen P Marshall P Glarborg IJCK 40, 454-480 (2008)
NO2+NO2=NO+NO+O2     4.5E12   0.000   27599 ! ! Park J Giles ND Moore J Lin MC JPCA 102:10099 1998
NO2+NO2=NO3+NO       9.6E09   0.730   20900 ! Tsang W JPCRD 20:221 1991
HONO+O=NO2+OH        1.2E13   0.000    5960 ! ! NBS91      Tsang W JPCRD 20:221 1991
HONO+OH=NO2+H2O      1.7E12   0.000    -520 ! ! Burkholder JB Mellouki A Talukdar R Ravishankara AR IJCK 24:711 1992
HONO+NO2=HONO2+NO    2.0E11   0.000   32700 ! ! Park J Giles ND Moore J Lin MC JPCA 102:10099 1998
HONO+HONO=NO+NO2+H2O 3.5E-01  3.640   12140 !  Mebel AM Lin MC Melius CF JPCA 102:1803 1998
HNO2+O=NO2+OH        1.7E08   1.500    2000 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
!HNO2+OH=NO2+H2O      4.0E13   0.000       0 ! ! CL Rasmussen J Hansen P Marshall P Glarborg IJCK 40, 454-480 (2008)
HNO2+OH<=>NO2+H2O                                            +1.2000000E+006 +2.0000000E+000 -7.9487000E+002  !\AUTHOR: pw !\REF: Dean and Bozzelli, In Combustion Chemistry of Nitrogen, 2000: 125-341 !\COMMENT:
NO2+O(+M)=NO3(+M)    3.5E12   0.240       0 ! ! Hahn J Luther K Troe J PCCP 2:5098 2000
 LOW  /2.5E20 -1.50 0/                                      !
 TROE /0.71 1E-30 1700 1E30/                                !
NO3+H=NO2+OH         6.0E13   0.000       0 ! ! Becker E Rahman MM Schindler RN BBPC 96:776 1992
NO3+O=NO2+O2         1.0E13   0.000       0 ! ! Atkinson R Baulch DL Cox RA Hampson RF Kerr JA Troe J JPC \Ref Data 1992, 21, 11251568.
NO3+OH=NO2+HO2       1.4E13   0.000       0 ! ! Atkinson R Baulch DL Cox RA Hampson RF Kerr JA Troe J JPC \Ref Data 1992, 21, 11251568.
NO3+HO2=NO2+O2+OH    1.5E12   0.000       0 ! ! Becker E Rahman MM Schindler RN BBPC 96:776 1992
NO3+NO2=NO+NO2+O2    5.0E10   0.000    2940 ! ! DeMore WB Sander SP Golden DM Molina MJ Hampson RF Kurylo MJ Howard CJ Ravishankara AR JPL P 90-1:1 1990

!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: HONO2
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________
!\REACTIONCLASS: RH(=)PRODUCTS
!___________________________________________________________________________________________________________

NO2+OH(+M)=HONO2(+M)    1.63E13 0.0 0.0E0     !\Author: YJZ !\Ref: TROE, JPCA, 2012, 116(24) !\Comment: WARNING
    LOW/3.13E25 -3.0E0 0.0E0/
    TROE/4.1E-1 1.0E-30 1.0E30 1.0E30/

HONO2+H=H2+NO3     5.6E08   1.500   16400 ! ! Boughton JW Kristyan S Lin MC Chem. Phys 214:219 1997
HONO2+H=H2O+NO2    6.1E01   3.300    6285 ! ! Boughton JW Kristyan S Lin MC Chem. Phys 214:219 1997
HONO2+H=OH+HONO    3.8E05   2.300    6976 ! ! Boughton JW Kristyan S Lin MC Chem. Phys 214:219 1997
HONO2+OH=H2O+NO3   1.0E10   0.000   -1240 ! ! Lamb JJ Mozurkewich M Benson SW JPC 88:6441-6448 1984
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: HONO2
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: HNO3
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________
!\REACTIONCLASS: RH(=)PRODUCTS
!___________________________________________________________________________________________________________
!\Author: YJZ !\Ref: KONNOV, COMBUS. FLAME, 2009, 156(11) !\Comment: WARNING
NO+HO2+M<=>HNO3+M         1.5E+24  -3.5     2200.0              !\AUTHOR: YJZ !\Ref:KONNOV, Combus. Flame, 2009, 156(11): 2093-2105 !\COMMENT:
HNO3+H<=>NO3+H2    5.56E08  1.5  16400 !\AUTHOR: YJZ !\Ref:Boughton et al., Chemical Physics, 1997, 214(2-3): 219-227 !\COMMENT:
HNO3+H<=>NO2+H2O   6.08E01  3.3  6285  !\AUTHOR: YJZ !\Ref:Boughton et al., Chemical Physics, 1997, 214(2-3): 219-227 !\COMMENT:
HNO3+H<=>HONO+OH   3.82E05  2.3  6976  !\AUTHOR: YJZ !\Ref:Boughton et al., Chemical Physics, 1997, 214(2-3): 219-227 !\COMMENT:
HNO3+OH<=>NO3+H2O  1.03E10  0.0  -1240 !\AUTHOR: YJZ !\Ref:Xia and Lin, JCP, 2001, 114(10): 4522-4532 !\COMMENT:
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: HNO3
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: HON
!----------------------------------------------------------------------------------------------------------------------------------
!\MECHCOMMENTS: HON CHEMISTRY HAS HIGH-SENSITIVITY TO NO FORMATION
!----------------------------------------------------------------------------------------------------------------------------------
!___________________________________________________________________________________________________________
!\REACTIONCLASS: RH(=)PRODUCTS
!___________________________________________________________________________________________________________
!\Author: YJZ !\Ref: DEAN AND BOZZELLI, IN COMBUSTION CHEMISTRY OF NITROGEN, 2000 !\Comment: DB M=N2
HON+M=NO+H+M    5.1E19 -1.73 1.6045E4
    AR/0.7/
    CO2/2.0/
    H2O/7.0/
!\Author: YJZ !\Ref: DEAN AND BOZZELLI, IN COMBUSTION CHEMISTRY OF NITROGEN, 2000 !\Comment: *** DB
HON+H=HNO+H    2.4E13 0.0 0.0E0 !\Author: YJZ !\Ref: DEAN AND BOZZELLI, IN COMBUSTION CHEMISTRY OF NITROGEN, 2000 !\Comment: *** DB 0.5_A_2.0E13
HON+H=NH+OH    1.0E13 0.0 0.0E0 !\Author: YJZ !\Ref: DEAN AND BOZZELLI, IN COMBUSTION CHEMISTRY OF NITROGEN, 2000 !\Comment: *** DB
HON+O=NO+OH    7.0E13 0.0 0.0E0 !\Author: YJZ !\Ref: DEAN AND BOZZELLI, IN COMBUSTION CHEMISTRY OF NITROGEN, 2000 !\Comment: *** DB
HON+OH=HONO+H    4.0E13 0.0 0.0E0 !\Author: YJZ !\Ref: DEAN AND BOZZELLI, IN COMBUSTION CHEMISTRY OF NITROGEN, 2000 !\Comment: *** DB
HON+O2=NO2+OH    1.0E12 0.0 4.968E3 !\Author: YJZ !\Ref: ZUEV AND STARIKOVSKII, KHIM. FIZ, 1991, 10 !\Comment: WARNING
N2O(+M)=N2+O(+M)    1.69E11 0.0 5.7653E4
    O2/1.4/
    N2/1.7/
    NO/3.0/
    N2O/3.5/
    H2O/12.0/
LOW /                                                        +1.0400000E+015 +0.0000000E+000 +5.9810000E+004 / !LOW-PRESSURE-LIMIT!\AUTHOR: SC !\REF: Mulvihill et al., CNF,2020,224,6-13 !\COMMENT: T range: 820-2500
   ! LOW/7.2E14 0.0E0 5.741E4/
!\Author: YJZ !\Ref: KLIPPENSTEIN ET AL., CNF, 2011, 158 !\Comment: WARNING
N2O+H=N2+OH    6.4E7 1.835 1.3492E4 !\Author: YJZ !\Ref: HIDAKA J. PHY. CHEM.,1985, 89, 4903 !\Comment: WARNING
N2O+H=OHV+N2    1.6E14 0.0 5.03E4 !\Author: YJZ !\Ref: MEAGHER J ET AL., JPCA, 2000, 104(25) !\Comment: 0.8A_3.69E12
N2O+O=N2+O2    3.69E12 0.0 1.5936E4
!!N2O+O(=)NO+NO                                     +9.15000000E+013 +0.00000000E+000 +2.76790000E+004 !\Author: YJZ !\Ref: MEAGHER J ET AL., JPCA, 2000, 104(25) !\Comment: 1.2A_9.15E13
N2O+O=2NO    1.748E16 -0.557 2.805E4 !\Author: YJZ !\Ref: MEBEL ET AL., IJCK, 1996, 28(9) !\Comment: WARNING
N2O+OH=HO2+N2    1.3E-2 4.72 3.656E4 !\Author: YJZ !\Ref: MEBEL ET AL., IJCK, 1996, 28(9) !\Comment: WARNING
N2O+OH=HNO+NO    1.2E-4 4.33 2.508E4 !\Author: YJZ !\Ref: MEBEL ET AL., IJCK, 1996, 28(9) !\Comment: WARNING
N2O+NO=NO2+N2    5.3E5 2.23 4.6281E4 !\Author: YJZ !\Ref: MEBEL ET AL., IJCK, 1996, 28(9) !\Comment: WARNING
! --------------------------------------------------------------
!   N2 amine subset                 
! --------------------------------------------------------------
NH2+NH2=N2H2+H2                      1.7E08   1.620   11783 !   ! SJ Klippenstein LB Harding B Ruscic R Sivaramakrishnan NK Srinivasan M-C Su JV Michael JPCA 113 (2009) 10241-10259.  
NH2+NH2=H2NN+H2                      7.2E04   1.880    8802 !  ! SJ Klippenstein LB Harding B Ruscic R Sivaramakrishnan NK Srinivasan M-C Su JV Michael JPCA 113 (2009) 10241-10259.  
NH2+NH=N2H2+H                        4.3E14  -0.272     -77 !  ! SJ Klippenstein LB Harding B Ruscic R Sivaramakrishnan NK Srinivasan M-C Su JV Michael JPCA 113 (2009) 10241-10259.  
HNOH+NH2=N2H3+OH                     1.0E01   3.460    -467 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
HNOH+NH2=H2NN+H2O                    8.8E16  -1.080    1113 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
NH2+NH2(+M)=N2H4(+M)                 5.6E14  -0.414      66 !   
 LOW  /1.6E34 -5.49 1987/                                   !
 TROE /0.31 1E-30 1E30 1E30/                                ! Fc=0.31
! SJ Klippenstein LB Harding B Ruscic R Sivaramakrishnan NK Srinivasan M-C Su JV Michael JPCA 113 (2009) 10241-10259.
N2H4=H2NN+H2         1.4E14   0.000   74911 ! D.-Y. Hwang, A.M. Mebel, J. Phys. Chem. A 2003, 107, 2865-2874  
N2H4+H=N2H3+H2       7.0E12   0.000    2500 ! Vaghjiani GL IJCK 27:777 1995
!N2H4+H=N2H3+H2      4.5E07   1.800    2613 ! D.-Y. Hwang, A.M. Mebel, J. Phys. Chem. A 2003, 107, 2865-2874 (factor 7 low at 300 K)
N2H4+H=NH3+NH2       2.3E05   1.420    8202 ! D.-Y. Hwang, A.M. Mebel, J. Phys. Chem. A 2003, 107, 2865-2874 (factor 7 low at 300 K)
N2H4+O=N2H3+OH       1.5E11   0.000   -1270 ! Vaghjiani GL JPC 104:5479-5489 1996 ! Vaghjiani GL JPCA 105:4682-4690 2001
N2H4+O=N2H2+H2O      2.9E11   0.000   -1270 ! Vaghjiani GL JPC 104:5479-5489 1996! Vaghjiani GL JPCA 105:4682-4690 2001 ! Non-OH products assumed
N2H4+OH=N2H3+H2O     1.3E13   0.000    -318 ! Vaghjiani GL IJCK 33:354-362 2001
N2H4+NH2=N2H3+NH3    7.6E-1   4.000    4048 ! Q.S. Li, X.A.F. Zhang! Direct dynamics study on the hydrogen abstraction reactions N2H4+R->N2H3+RH (R=NH2,CH3)! J. Chem. Phys. 125 064304 2006
N2H4+NO=N2H3+HNO     6.0E01   3.160   30845 ! P. Raghunath and Y.H. Lin and M.C. Lin! Ab initio chemical kinetics for the N2H4+NOx (x=13) reactions and related reverse processes! Comp. Theor. Chem. 1046, 73-80, 2014
N2H4+NO2=N2H3+HONO   8.2E01   3.130    8860 ! P. Raghunath and Y.H. Lin and M.C. Lin! Ab initio chemical kinetics for the N2H4+NOx (x=13) reactions and related reverse processes,! Comp. Theor. Chem. 1046, 73-80, 2014!
N2H4+NO2=N2H3+HNO2   2.4E-2   4.140    7946 ! P. Raghunath and Y.H. Lin and M.C. Lin! Ab initio chemical kinetics for the N2H4+NOx (x=13) reactions and related reverse processes,! Comp. Theor. Chem. 1046, 73-80, 2014
N2H3+H=N2H2+H2       2.4E08   1.500     -10 !Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000!
N2H3+O=N2H2+OH       1.7E08   1.500    -646 !Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
N2H3+O=NH2+HNO       3.0E13   0.000       0 !Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
N2H3+O=>NH2+NO+H     3.0E13   0.000       0 !Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
N2H3+OH=N2H2+H2O     1.2E06   2.000   -1192 !Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
N2H3+OH=H2NN+H2O     3.0E13   0.000       0 !Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
N2H3+OH=NH3+HNO      1.0E12   0.000   15000 !JAM est
N2H3+HO2=N2H2+H2O2   1.4E04   2.690   -1600 !Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
N2H3+HO2=N2H4+O2     9.2E05   1.940    2126 !Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
N2H3+NH2=N2H2+NH3    9.2E05   1.940   -1152 !Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
N2H3+NH2=H2NN+NH3    3.0E13   0.000       0 !Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
N2H3+NH=N2H2+NH2     2.0E13   0.000       0 !! JAM est
!! N2H2+M=NNH+H+M    1.9E27  -3.050   66107 ! M=N2
!!  H2O/7/
!! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
N2H2+H=NNH+H2        1.1E14   0.000    3128 !! Zheng, JJ Rocha, RJ Pelegrini, M Ferrao, LFA Carvalho, EFV Roberto-Neto, O Machado, FBC Truhlar, DG
! A product branching ratio controlled by vibrational adiabaticity and variational effects: Kinetics of the H+trans-N2H2 reactions! J. Chem. Phys. 18 184310 2012! rough fit to 600-1500 K
N2H2+O=NNH+OH        3.3E08   1.500     497 !Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
N2H2+O=NH2+NO        1.0E13   0.000       0 !JAM est
N2H2+OH=NNH+H2O      5.9E01   3.400    1360 !Linder DP Duan X Page M JCP 104:6298 1996
N2H2+NH2=NNH+NH3     8.8E-2   4.050    1610 !Linder DP Duan X Page M JCP 104:6298 1996
N2H2+NH=NNH+NH2      2.4E06   2.000   -1192 !Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
N2H2+NO=N2O+NH2      4.0E12   0.000   11922 !Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
H2NN=NNH+H           3.4E26  -4.830   46228 !  1 ATM ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
H2NN=N2+H2           2.5E14   0.000   52785 !D.-Y. Hwang, A.M. Mebel, J. Phys. Chem. A 2003, 107, 2865-2874 
H2NN=N2H2            1.3E14   0.000   46931 !D.-Y. Hwang, A.M. Mebel, J. Phys. Chem. A 2003, 107, 2865-2874  
H2NN+H=NNH+H2        4.8E08   1.500    -894 !Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
H2NN+H=N2H2+H        7.0E13   0.000       0 !Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
H2NN+O=NNH+OH        3.3E08   1.500    -894 !Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
H2NN+O=NH2+NO        7.0E13   0.000       0 !Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
H2NN+OH=NNH+H2O      2.4E06   2.000   -1192 !Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
H2NN+OH=>NH2+NO+H    2.0E12   0.000       0 !Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
H2NN+HO2=>NH2+NO+OH  9.0E12   0.000       0 !  ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
H2NN+HO2=NNH+H2O2    2.9E04   2.690   -1600 !  ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
H2NN+O2=NH2+NO2      1.5E12   0.000    5961 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
H2NN+NH2=NNH+NH3     1.8E06   1.940   -1152 !  
!---------------------------------------------------------------------
!GOLDSMITH React. Chem. Eng., 2019, 4, 323-333            }} HONO/HNO2_GODLSMITH_2019
! fit btw. 250 and 2000 K with MAE of 2.0%, 4.8%           }} HONO/HNO2_GODLSMITH_2019
! fit btw. 250 and 2000 K with MAE of 2.1%, 5.1%           }} HONO/HNO2_GODLSMITH_2019
! fit btw. 250 and 2000 K with MAE of 2.2%, 5.5%           }} HONO/HNO2_GODLSMITH_2019
! fit btw. 250 and 2000 K with MAE of 2.3%, 6.0%           }} HONO/HNO2_GODLSMITH_2019
! fit btw. 250 and 2000 K with MAE of 2.5%, 6.6%           }} HONO/HNO2_GODLSMITH_2019
! fit btw. 250 and 2000 K with MAE of 2.7%, 7.4%           }} HONO/HNO2_GODLSMITH_2019
! fit btw. 250 and 2000 K with MAE of 3.0%, 8.5%           }} HONO/HNO2_GODLSMITH_2019
! fit btw. 250 and 2000 K with MAE of 3.4%, 10.0%          }} HONO/HNO2_GODLSMITH_2019
! fit btw. 250 and 2000 K with MAE of 3.9%, 11.7%          }} HONO/HNO2_GODLSMITH_2019
! fit btw. 250 and 2000 K with MAE of 4.5%, 13.5%          }} HONO/HNO2_GODLSMITH_2019
OH+NO=HONO    7.29E22 -3.41 2.66E3
    PLOG/1.0E-2 5.02E21 -4.24E0 8.989E2/
    PLOG/1.0E-1 5.31E22 -4.24E0 1.184E3/
    PLOG/3.16E-1 1.38E23 -4.22E0 1.376E3/
    PLOG/1.0E0 3.09E23 -4.17E0 1.621E3/
    PLOG/3.16E0 5.45E23 -4.09E0 1.911E3/
    PLOG/1.0E1 6.35E23 -3.97E0 2.222E3/
    PLOG/3.16E1 3.68E23 -3.75E0 2.501E3/
    PLOG/1.0E2 7.29E22 -3.41E0 2.66E3/
!OH+NO=HONO    1.8E22 -3.1 1.839E3
!    PLOG/1.0E-1 6.92E21 -3.86E0 5.826E2/
!    PLOG/2.154E-1 1.46E22 -3.85E0 7.081E2/
!    PLOG/4.641E-1 2.93E22 -3.84E0 8.502E2/
!    PLOG/1.0E0 5.34E22 -3.82E0 1.005E3/
!    PLOG/2.154E0 8.53E22 -3.78E0 1.169E3/
!    PLOG/4.641E0 1.15E23 -3.72E0 1.34E3/
!    PLOG/1.0E1 1.25E23 -3.63E0 1.51E3/
!    PLOG/2.154E1 1.01E23 -3.5E0 1.664E3/
!    PLOG/4.641E1 5.47E22 -3.33E0 1.782E3/
!    PLOG/1.0E2 1.8E22 -3.1E0 1.839E3/
!GOLDSMITH, React. Chem. Eng., 2019, 4, 323-333                   }}HONO/HNO2_GODLSMITH_2019
! fit btw. 250 and 2000 K with MAE of 4.9%, 31.7%          }}  HONO/HNO2_GODLSMITH_2019
! fit btw. 250 and 2000 K with MAE of 5.2%, 21.5%          }}  HONO/HNO2_GODLSMITH_2019
! fit btw. 250 and 2000 K with MAE of 6.0%, 18.7%          }}  HONO/HNO2_GODLSMITH_2019
! fit btw. 250 and 2000 K with MAE of 7.1%, 17.6%          }}  HONO/HNO2_GODLSMITH_2019
! fit btw. 250 and 2000 K with MAE of 8.7%, 19.2%          }}  HONO/HNO2_GODLSMITH_2019
! fit btw. 250 and 2000 K with MAE of 10.2%, 22.2%         }}  HONO/HNO2_GODLSMITH_2019
! fit btw. 250 and 2000 K with MAE of 11.4%, 24.8%         }}  HONO/HNO2_GODLSMITH_2019
! fit btw. 250 and 2000 K with MAE of 12.1%, 26.2%         }}  HONO/HNO2_GODLSMITH_2019
! fit btw. 250 and 2000 K with MAE of 12.4%, 27.0%         }}  HONO/HNO2_GODLSMITH_2019
! fit btw. 250 and 2000 K with MAE of 12.5%, 27.7%         }}  HONO/HNO2_GODLSMITH_2019
OH+NO=HNO2    1.95E15 -1.64 6.099E3
    PLOG/1.0E-2 3.16E18 -3.74E0 1.405E3/
    PLOG/1.0E-1 3.03E18 -3.43E0 2.618E3/
    PLOG/3.16E-1 2.23E18 -3.24E0 3.248E3/
    PLOG/1.0E0 1.43E18 -3.03E0 3.899E3/
    PLOG/3.16E0 6.91E17 -2.79E0 4.535E3/
    PLOG/1.0E1 2.04E17 -2.49E0 5.125E3/
    PLOG/3.16E1 3.07E16 -2.12E0 5.648E3/
    PLOG/1.0E2 1.95E15 -1.64E0 6.099E3/
!OH+NO=HNO2    1.05E9 0.25 2.951E3
!    PLOG/1.0E-1 1.97E18 -3.29E0 2.792E3/
!    PLOG/2.154E-1 2.67E17 -2.93E0 2.798E3/
!    PLOG/4.641E-1 3.09E16 -2.56E0 2.791E3/
!    PLOG/1.0E0 3.13E15 -2.17E0 2.775E3/
!    PLOG/2.154E0 2.86E14 -1.77E0 2.757E3/
!    PLOG/4.641E0 2.48E13 -1.37E0 2.751E3/
!    PLOG/1.0E1 2.12E12 -9.7E-1 2.767E3/
!    PLOG/2.154E1 1.81E11 -5.7E-1 2.809E3/
!    PLOG/4.641E1 1.48E10 -1.7E-1 2.875E3/
!    PLOG/1.0E2 1.05E9 2.5E-1 2.951E3/
!GOLDSMITH, React. Chem. Eng., 2019, 4, 323-333            }} HONO/HNO2_GODLSMITH_2019
! fit btw. 250 and 2000 K with MAE of 44.3%, 356.1%        }} HONO/HNO2_GODLSMITH_2019
! fit btw. 250 and 2000 K with MAE of 36.9%, 286.3%        }} HONO/HNO2_GODLSMITH_2019
! fit btw. 250 and 2000 K with MAE of 30.7%, 226.6%        }} HONO/HNO2_GODLSMITH_2019
! fit btw. 250 and 2000 K with MAE of 25.6%, 175.3%        }} HONO/HNO2_GODLSMITH_2019
! fit btw. 250 and 2000 K with MAE of 21.8%, 136.5%        }} HONO/HNO2_GODLSMITH_2019
! fit btw. 250 and 2000 K with MAE of 18.9%, 110.1%        }} HONO/HNO2_GODLSMITH_2019
! fit btw. 250 and 2000 K with MAE of 16.1%, 91.0%         }} HONO/HNO2_GODLSMITH_2019
! fit btw. 250 and 2000 K with MAE of 13.0%, 74.1%         }} HONO/HNO2_GODLSMITH_2019
! fit btw. 250 and 2000 K with MAE of 9.9%, 56.7%          }} HONO/HNO2_GODLSMITH_2019
! fit btw. 250 and 2000 K with MAE of 8.5%, 39.3%          }} HONO/HNO2_GODLSMITH_2019
HNO2=HONO                                                    +2.0300000E+022 -3.3500000E+000 +4.4430000E+004   !\AUTHOR: pw !\REF: Chen et al., Reaction Chemistry and Engineering,2019,4,323-333 !\COMMENT: 
PLOG /                                       +1.0000000E-002 +3.2600000E+034 -7.9700000E+000 +4.5490000E+004 / 
PLOG /                                       +1.0000000E-001 +2.7700000E+033 -7.5800000E+000 +4.5250000E+004 / 
PLOG /                                       +3.1600000E-001 +1.9300000E+032 -7.1800000E+000 +4.4940000E+004 / 
PLOG /                                       +1.0000000E+000 +1.5600000E+030 -6.4700000E+000 +4.4360000E+004 / 
PLOG /                                       +3.1600000E+000 +2.1700000E+027 -5.4900000E+000 +4.3670000E+004 / 
PLOG /                                       +1.0000000E+001 +4.6800000E+024 -4.5200000E+000 +4.3320000E+004 / 
PLOG /                                       +3.1600000E+001 +1.1400000E+023 -3.8100000E+000 +4.3640000E+004 / 
PLOG /                                       +1.0000000E+002 +2.0300000E+022 -3.3500000E+000 +4.4430000E+004 / 
!
!HNO2=HONO    2.67E20 -2.8 4.312E4
!    PLOG/1.0E-1 1.09E47 -1.148E1 5.214E4/
!    PLOG/2.154E-1 1.6E44 -1.063E1 5.078E4/
!    PLOG/4.641E-1 2.01E41 -9.74E0 4.946E4/
!    PLOG/1.0E0 1.65E38 -8.79E0 4.816E4/
!    PLOG/2.154E0 7.49E34 -7.73E0 4.688E4/
!    PLOG/4.641E0 2.32E31 -6.6E0 4.568E4/
!    PLOG/1.0E1 9.05E27 -5.47E0 4.466E4/
!    PLOG/2.154E1 8.53E24 -4.44E0 4.388E4/
!    PLOG/4.641E1 2.73E22 -3.55E0 4.338E4/
!    PLOG/1.0E2 2.67E20 -2.8E0 4.312E4/
!GOLDSMITH, React. Chem. Eng., 2019, 4, 323-333
!H+NO2=OH+NO    1.5E13 0.29 2.51E1
NO2+H<=>NO+OH                                                +2.3000000E+011 +8.4000000E-001 -1.0580000E+003   !\AUTHOR: pw !\REF: Chen et al., Reaction Chemistry and Engineering,2019,4,323-333 !\COMMENT: 1.15A_+2.0000000E+011
NO2+H2<=>HONO+H                                              +1.1550000E+000 +3.8860000E+000 +2.5980000E+004   !\AUTHOR: pw !\REF:JIAJUE CHAI AND F. GOLDSMITH. PCI, 2016 !\COMMENT: sum of cis- and trans-HONO
!H+HONO=H2+NO2    1.89E3 2.83 1.4227E3
H+HNO2=H2+NO2    2.33E4 2.77 -2.0219E3
H+HONO=NO+H2O    2.79E10 0.8 6.146E3 !\AUTHOR: WARNING !\REF: Chen et al., Reaction Chemistry and Engineering,2019,4,323-333 !\COMMENT: 
    PLOG/1.0E-2 3.91E9 9.9E-1 4.049E3/
    PLOG/1.0E-1 3.93E9 9.9E-1 4.049E3/
    PLOG/3.16E-1 3.97E9 9.9E-1 4.051E3/
    PLOG/1.0E0 4.3E9 9.8E-1 4.07E3/
    PLOG/3.16E0 7.04E9 9.2E-1 4.225E3/
    PLOG/1.0E1 2.6E10 7.6E-1 4.736E3/
    PLOG/3.16E1 7.91E10 6.4E-1 5.519E3/
    PLOG/1.0E2 2.79E10 8.0E-1 6.146E3/
HNO+OH=H+HONO    1.03E5 2.24 6.951E3
    PLOG/1.0E-2 1.06E3 2.76E0 4.439E3/
    PLOG/1.0E-1 1.09E3 2.75E0 4.45E3/
    PLOG/3.16E-1 1.18E3 2.74E0 4.476E3/
    PLOG/1.0E0 1.48E3 2.72E0 4.554E3/
    PLOG/3.16E0 2.71E3 2.64E0 4.768E3/
    PLOG/1.0E1 9.67E3 2.49E0 5.253E3/
    PLOG/3.16E1 5.31E4 2.29E0 6.063E3/
    PLOG/1.0E2 1.03E5 2.24E0 6.951E3/
HNO+OH=NO+H2O    4.18E10 0.51 5.532E3
    PLOG/1.0E-2 5.82E10 4.0E-1 3.762E3/
    PLOG/1.0E-1 5.85E10 4.0E-1 3.763E3/
    PLOG/3.16E-1 5.92E10 4.0E-1 3.764E3/
    PLOG/1.0E0 6.3E10 3.9E-1 3.782E3/
    PLOG/3.16E0 9.53E10 3.4E-1 3.931E3/
    PLOG/1.0E1 2.6E11 2.3E-1 4.413E3/
    PLOG/3.16E1 3.83E11 2.0E-1 5.099E3/
    PLOG/1.0E2 4.18E10 5.1E-1 5.532E3/
!N2O+H2=N2+H2O    7.0E13 0.0 3.25E4
N2O+H2<=>N2+H2O                                              +3.5000000E+013 +0.0000000E+000 +3.2500000E+004   !\AUTHOR: SC !\REF: Mulvihill et al. CNF, 2018,196:478-486 !\COMMENT: 3.5E13
NH3+OH=NH2+H2O    4.299E3 2.83021 -4.308E2
H+HNO2=NO+H2O    1.27E10 0.91 5.968E3
    PLOG/1.0E-2 3.39E9 1.07E0 5.568E3/
    PLOG/1.0E-1 3.39E9 1.07E0 5.567E3/
    PLOG/3.16E-1 3.39E9 1.07E0 5.567E3/
    PLOG/1.0E0 3.38E9 1.07E0 5.565E3/
    PLOG/3.16E0 3.38E9 1.07E0 5.56E3/
    PLOG/1.0E1 3.4E9 1.07E0 5.546E3/
    PLOG/3.16E1 4.32E9 1.04E0 5.591E3/
    PLOG/1.0E2 1.27E10 9.1E-1 5.968E3/
H+HNO2=HNO+OH    1.81E8 1.59 6.233E3
    PLOG/1.0E-2 3.61E7 1.78E0 5.565E3/
    PLOG/1.0E-1 3.61E7 1.78E0 5.566E3/
    PLOG/3.16E-1 3.62E7 1.78E0 5.567E3/
    PLOG/1.0E0 3.65E7 1.78E0 5.57E3/
    PLOG/3.16E0 3.74E7 1.77E0 5.58E3/
    PLOG/1.0E1 4.14E7 1.76E0 5.617E3/
    PLOG/3.16E1 6.23E7 1.71E0 5.77E3/
    PLOG/1.0E2 1.81E8 1.59E0 6.233E3/
NH2+H(+M)=NH3(+M)    1.6E14 0.0 0.0E0
    LOW/3.6E22 -1.76E0 0.0E0/
    TROE/5.0E-1 1.0E-30 1.0E30 1.0E30/
NO+H(+M)=HNO(+M)    1.52E15 -0.41 0.0E0
    AR/0.75/
    O2/1.5/
    N2/1.6/
    H2/2.0/
    CO2/3.0/
    H2O/10.0/
    LOW/2.4E14 2.06E-1 -1.55E3/
    TROE/8.2E-1 1.0E-30 1.0E30 1.0E30/
NH2+HO2=H2NO+OH    2.5E17 -1.28 1.166E3 
NH2+NO=N2+H2O    2.6E19 -2.369 8.7E2 
NH2+NO=NNH+OH    4.3E10 0.294 -8.66E2 
H2NO+O2=HNO+HO2    2.3E2 2.994 1.65E4 
NH2+HO2=NH3+O2    1.7E4 1.55 2.027E3 
N2H2=NNH+H    3.1E41 -8.42 7.6102E4
    PLOG/1.0E-1 5.6E36 -7.75E0 7.034E4/
    PLOG/1.0E0 1.8E40 -8.41E0 7.332E4/
    PLOG/1.0E1 3.1E41 -8.42E0 7.6102E4/
!\Author: QW !FUEL 243(2019) 288 297, G4 / / B3LYP / 6 311+G(D,P) !\Ref: WARNING !\Comment: WARNING
HNO+NO2=NO+HONO    7.847E2 3.059 3.8824E3 !\Author: QW !CCSDT/CBS CALCULATION !\Ref: WARNING !\Comment: WARNING
HNO+O2=NO+HO2    3.98956E5 2.3026 1.46054E4 
N2H3=N2H2+H    1.8E45 -9.39 7.0141E4
    PLOG/1.0E-1 2.3E43 -9.55E0 6.4468E4/
    PLOG/1.0E0 3.6E47 -1.038E1 6.9009E4/
    PLOG/1.0E1 1.8E45 -9.39E0 7.0141E4/

!---------------------------------------------------------------------------------------
!----------------------------------
!  Cyanide subset
!----------------------------------
HCN+M = H+CN+M                       3.4E35  -5.130  133000 ! 
 N2/0/ O2/1.5/ H2O/10/
HCN+N2 = H+CN+N2                     3.6E26  -2.600  124890 ! ! Tsang W JPCRD 20:221 1991
HCN+M = HNC+M                        1.6E26  -3.230   54900 ! 
 AR/0.7/ H2O/7/  CO2/2/                                !! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000! P Glarborg P Marshall  (mod Ea)
CN+H2 = HCN+H        1.1E05   2.600    1908 !! Baulch DL Bowman CT Cobos CJ Cox RA Just Th Kerr JA Pilling MJ Stocker D Troe J Tsang W Walker RW Warnatz J JPCRD 34:757-1397 2005
HCN+O=NCO+H          1.4E04   2.640    4980 !! Miller JA Bowman CT PECS 15:287 1989
HCN+O=NH+CO          3.5E03   2.640    4980 !! Miller JA Bowman CT PECS 15:287 1989
HCN+O=CN+OH          4.2E10   0.400   20665 !! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
HCN+OH=CN+H2O        3.9E06   1.830   10300 !! Wooldridge ST Hanson RK Bowman CT IJCK 27:1075-1087 1995
HCN+OH=HOCN+H        5.9E04   2.400   12500 !! Miller JA Bowman CT PECS 15:287 1989!
HCN+OH=HNCO+H        2.0E-03  4.000    1000 !! Miller JA Bowman CT PECS 15:287 1989
HCN+OH=NH2+CO        7.8E-04  4.000    4000 !! Miller JA Bowman CT PECS 15:287 1989
HCN+O2 = CN+HO2      3.0E13   0.000   75100 !! P Dagaut P Glarborg MU Alzueta PECS 34 (2008) 1-46 est
HCN+CN=NCCN+H        1.5E07   1.710    1530 !! Tsang W JPCRD 21:753-791 1992
HNC+H = HCN+H        7.8E13   0.000    3600 !! Sumathi R Nguyen MT JPCA 102:8013-8020 1998   
HNC+O = NH+CO        4.6E12   0.000    2200 !! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
HNC+OH = HNCO+H      3.6E12   0.000    -479 !! Bunkan et al. (2014) !! Glarborg and Marshall (2016)
HNC+OH = CN+H2O      3.0E02   3.160   10600 !! Bunkan et al. (2014) !! Glarborg and Marshall (2016)
CN+O=CO+N            1.9E12   0.460     723 !! Cobos CJ React Kinet Catal Lett 57:43-47 1996
CN+OH=NCO+H          1.0E15  -0.437       0 !! Wooldridge ST Hanson RK Bowman CT IJCK 1996;28:24558! Decker, B.K.; Macdonald, R.G. J. Phys. Chem. A 107 9137-9146 2003
CN+O2=NCO+O          5.8E12   0.000    -417 !! Baulch DL Bowman CT Cobos CJ Cox RA Just Th Kerr JA Pilling MJ Stocker D Troe J Tsang W Walker RW Warnatz J JPCRD 34:757-1397 2005! Rim KT Hershberger JF JPCA 103:3721-3725 1999
CN+O2=NO+CO          1.4E12   0.000    -417 !! Baulch DL Bowman CT Cobos CJ Cox RA Just Th Kerr JA Pilling MJ Stocker D Troe J Tsang W Walker RW Warnatz J JPCRD 34:757-1397 2005! Feng, Wenhui; Hershberger, John F. J Phys Chem A 2009, 113, 3523-3527 (br=20%)
CN+NO=NCO+N          9.6E13   0.000   42100 !! Tsang W JPCRD 21:753-791 1992
CN+NO2=NCO+NO        5.3E15  -0.752     344 !! Baulch DL Bowman CT Cobos CJ Cox RA Just Th Kerr JA Pilling MJ Stocker D Troe J Tsang W Walker RW Warnatz J JPCRD 34:757-1397 2005! Park J Hershberger JF JPC 99:3488-3493 1993
CN+NO2=CO+N2O        4.9E14  -0.752     344 !! Baulch DL Bowman CT Cobos CJ Cox RA Just Th Kerr JA Pilling MJ Stocker D Troe J Tsang W Walker RW Warnatz J JPCRD 34:757-1397 2005! Park J Hershberger JF JPC 99:3488-3493 1993
CN+NO2=N2+CO2        3.7E14  -0.752     344 !! Baulch DL Bowman CT Cobos CJ Cox RA Just Th Kerr JA Pilling MJ Stocker D Troe J Tsang W Walker RW Warnatz J JPCRD 34:757-1397 2005! Park J Hershberger JF JPC 99:3488-3493 1993
CN+HNO=HCN+NO        1.8E13   0.000       0 !! Tsang W JPCRD 21:753-791 1992
CN+HONO=HCN+NO2      1.2E13   0.000       0 !! Tsang W JPCRD 21:753-791 1992
!CN+N2O=NCN+NO       3.8E03   2.600    3700 ! see reverse! Tsang W JPCRD 21:753-791 1992! Williams BA Papas P Nelson HH JPC 1995;99:13471
CN+HNCO=HCN+NCO      3.2E13   0.000    9670 !! C. Sun Y. Liu B. Xu X. Li L. Meng S. Zhang Comp. Theo. Chem. 1014 43-48 2013 (rough fit to data 800-1500 K)
CN+HNCO=HNCN+CO      7.7E13   0.000    9430 !! C. Sun Y. Liu B. Xu X. Li L. Meng S. Zhang Comp. Theo. Chem. 1014 43-48 2013 (rough fit to data 800-1500 K)
CN+NCO=NCN+CO        1.3E13   0.000    -308 !! S-Y Tzeng P-H Chen NS Wang LC Lee ZF Xu MC Lin J. Phys. Chem. A 2009, 113, 6314-6325 
HNCO+M=CO+NH+M       1.1E16   0.000   86000 ! 
 N2/1.5/                                                    ! Mertens JD Chang AY Hanson RK Bowman CT IJCK 21:1049 1989
HNCO+H=NH2+CO        3.6E04   2.490    2345 !! Baulch DL Bowman CT Cobos CJ Cox RA Just Th Kerr JA Pilling MJ Stocker D Troe J Tsang W Walker RW Warnatz J JPCRD 34:757-1397 2005
HNCO+H=NCO+H2        9.0E07   1.660   13900 !! Baulch DL Bowman CT Cobos CJ Cox RA Just Th Kerr JA Pilling MJ Stocker D Troe J Tsang W Walker RW Warnatz J JPCRD 34:757-1397 2005
HNCO+O=NCO+OH        2.2E06   2.110   11430 !! Baulch DL Bowman CT Cobos CJ Cox RA Just Th Kerr JA Pilling MJ Stocker D Troe J Tsang W Walker RW Warnatz J JPCRD 34:757-1397 2005! Tsang W JPCRD 21:753-791 1992
HNCO+O=NH+CO2        9.6E07   1.410    8520 !! Baulch DL Bowman CT Cobos CJ Cox RA Just Th Kerr JA Pilling MJ Stocker D Troe J Tsang W Walker RW Warnatz J JPCRD 34:757-1397 2005! Tsang W JPCRD 21:753-791 1992
HNCO+O=HNO+CO        1.5E08   1.570   44012 !! He Y Lin MC Wu CK Melius CF PCI 24:711 1992
HNCO+OH=NCO+H2O      3.5E07   1.500    3600 !! Wooldridge ST Hanson RK Bowman CT IJCK 28:361-372 1995! D Sengupta MT Nguyen J. Chem. Phys. 106 (1997) 9703-9707: NH2+CO2 channel negligible
HNCO+HO2=NCO+H2O2    3.0E11   0.000   22000 !! JAM est 
HNCO+O2=HNO+CO2      2.0E13   0.000   58900 !! P. Glarborg, J.A. Miller, B. Ruscic, S.J. Klippenstein, ! Modeling Nitrogen Chemistry in Combustion, ! Prog. Energy Combust. Sci., submitted (2017). 
HNCO+H2O=NH3+CO2     2.0E13   0.000   48500 !! X.-G. Wei, X.-M. Sun, X.-P. Wu, S. Geng, Y. Ren, N.-B. Wong, and W.-K. Li. J Mol Model 17:206-2082, 2011.! X. Cheng, Y. Zhao, W. Zhu, and Y. Liu. J Mol Model, 19:503-5043, 2013.! P. Glarborg, J.A. Miller, B. Ruscic, S.J. Klippenstein, ! Modeling Nitrogen Chemistry in Combustion, ! Prog. Energy Combust. Sci., submitted (2017). 
HNCO+NH=NH2+NCO      3.0E13   0.000   23700 !! JAM lr
HNCO+HNCO=HNCNH+CO2  6.9E11   0.000   42100 !!  He, Y.; Liu, X.; Lin, M.C. Int. J. Chem. Kinet. 23 (1991) 1129-1149
HOCN+H=HNCO+H        3.1E08   0.840    1917 !! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
HOCN+H=NH2+CO        1.2E08   0.610    2076 !           ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
HOCN+H=H2+NCO        2.4E08   1.500    6617 !           ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
HOCN+O=OH+NCO        1.7E08   1.500    4133 !           ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
HOCN+OH=H2O+NCO      1.2E06   2.000    -248 !           ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
HOCN+NH2=NCO+NH3     9.2E05   1.940    3646 !           ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
HCNO=HCN+O           4.2E31  -6.120   61210 !  1.0 ATM N2
 PLOG /0.1           2.0E30  -6.030   60733./
 PLOG /1.0           4.2E31  -6.120   61210./
 PLOG /10.           5.9E31  -5.850   61935./
! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
HCNO+H=HCN+OH        7.2E10   0.841    8612 !Miller JA Klippenstein SJ Glarborg P CF 135:357-362 2003 
HCNO+O=HCO+NO        6.3E13   0.000       0 !Miller JA Durant JL Glarborg P PCI 1998;27:23543
HCNO+O=NCO+OH        7.0E12   0.000       0 !Miller JA Klippenstein SJ Glarborg P CF 135:357-362 2003 
HCNO+OH=CO+H2NO      1.0E13   0.000   -1490 !W Feng JP Meyer JF Hershberger J Phys Chem A 2006, 110, 4458-4464 (63%) 
HCNO+OH=HCO+HNO      6.0E12   0.000   -1490 !W Feng JP Meyer JF Hershberger J Phys Chem A 2006, 110, 4458-4464 (37%) 
HCNO+CN=HCN+NCO      6.0E13   0.000       0 !Feng WH Hershberger JF JPCA 110:12184 2006! Pang JL Xie HB Zhang SW Ding YH Tang AQ JPCA 112:5251-5257 2008
HCNO+NCO=HCN+NO+CO   9.6E12   0.000       0 !Feng WH Hershberger JF ! Kinetics of the NCO + HCNO Reaction! J. Phys. Chem. A, 2007, 111, 3831-3835
NCO+M=N+CO+M         2.2E14   0.000   54050 ! 
 N2/1.5/
! Baulch DL Bowman CT Cobos CJ Cox RA Just Th Kerr JA Pilling MJ Stocker D Troe J Tsang W Walker RW Warnatz J JPCRD 34:757-1397 2005
NCO+H=CO+NH          7.2E13   0.000    1000 !Baulch DL Bowman CT Cobos CJ Cox RA Just Th Kerr JA Pilling MJ Stocker D Troe J Tsang W Walker RW Warnatz J JPCRD 34:757-1397 2005
NCO+O=NO+CO          2.0E15  -0.500       0 !Gao Y MacDonald G JPCA 107:4625-4635 2003
NCO+OH=HON+CO        5.3E12  -0.070    5126 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
NCO+OH=H+CO+NO       8.3E12  -0.050   18042 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
NCO+HO2=HNCO+O2      2.0E13   0.000       0 ! ! est
NCO+O2=NO+CO2        2.0E12   0.000   20000 !   ! Miller, J. A., and Bowman, C. T., Int. J. Chem. Kinet. 23:289 (1991).
NCO+NO=N2O+CO        4.0E19  -2.190    1743 ! ! Zhu RS Lin MC JPCA 104:10807-10811 2004
NCO+NO=N2+CO2        1.5E21  -2.740    1824 ! ! Zhu RS Lin MC JPCA 104:10807-10811 2004
NCO+NO2=CO+NO+NO     2.5E11   0.000    -707 ! ! Park J Hershberger JF JPC 99:3488-3493 1993! Wooldridge ST Mertens JD Hanson RK Bowman CT PCI 25:983-991 1994
NCO+NO2=CO2+N2O      3.0E12   0.000    -707 ! ! Park J Hershberger JF JPC 99:3488-3493 1993! Wooldridge ST Mertens JD Hanson RK Bowman CT PCI 25:983-991 1994
NCO+HNO=HNCO+NO      1.8E13   0.000       0 ! ! Tsang W JPCRD 21:753-791 1992
NCO+HONO=HNCO+NO2    3.6E12   0.000       0 ! ! Tsang W JPCRD 21:753-791 1992
NCO+NH3=HNCO+NH2     2.8E04   2.480     980 ! ! Becker K Kurtenbach R Schmidt F Wiesen P BBPC 101:128-133 1997   
NCO+N=N2+CO          2.0E13   0.000       0 ! ! JAM est
NCO+NCO=CO+CO+N2     1.8E13   0.000       0 ! ! Tsang W JPCRD 21:753-791 1992
!----------------------------------------------------------------------------
!    CH3CN subset
!----------------------------------------------------------------------------
CH3CN=CH2CN+H        7.9E14   0.000   94940 !! K Sendt E Ikeda GB Bacskay JC Mackie JPCA 103 (1999) 1054-1072
CH3CN+H=HCN+CH3      4.4E10   0.800    6800 !! B Wang H Hou Y Gu JPCA 105 (2001) 156164!
CH3CN+H=HNC+CH3      2.8E15  -0.320   20030 !! B Wang H Hou Y Gu JPCA 105 (2001) 156164
CH3CN+H=CH2CN+H2     6.0E04   3.010    8522 !! B Wang H Hou Y Gu JPCA 105 (2001) 156164 
!! CH3CN+O=CH3+NCO   6.0E9 1.8 8.13E3           !MECH_CHECK
CH3CN+O=CH3+NCO      6.0E09   1.800    8130 !! J Sun Y Tang X Jia F Wang H Sun J Feng X Pan L Hao R Wang JCP 132 (2010) 064301
CH3CN+O=CH2CN+OH     4.7E08   1.180   14360 !! J Sun Y Tang X Jia F Wang H Sun J Feng X Pan L Hao R Wang JCP 132 (2010) 064301
CH3CN+OH=CH2CN+H2O   2.0E07   2.000    2000 ! ! JAM est
CH3CN+CH3=CH2CN+CH4  5.0E12   0.000    7000 !! K Sendt E Ikeda GB Bacskay JC Mackie JPCA 103 (1999) 1054-1072
CH3CN+CN=CH2CN+HCN   5.0E13   0.000    2000 !! K Sendt E Ikeda GB Bacskay JC Mackie JPCA 103 (1999) 1054-1072
CH2CN+O=CH2O+CN      1.3E12   0.640       0 !! K Hoyermann J Seeba Z Phys Chem 188 (1995) 215226
CH2OH+CN=CH2CN+OH    5.0E13   0.000       0 !  ! JAM est
!----------------------------------------------------------------------------
!    Hydrocarbon-nitrogen subset
!----------------------------------------------------------------------------

NO2+CO<=>NO+CO2                                              +3.8800000E+001 +3.3150000E+000 +2.62210000E+004   !\AUTHOR: SC !\REF: Present cal CBS RRKM!\COMMENT: 
!NO2+CO<=>NO+CO2                                              +9.0000000E+013 +0.0000000E+000 +3.3800000E+004   !\AUTHOR: YJZ !\REF:Tsang and Herron, JPCRD, 1991,20(4): 609-663 !\COMMENT:A_9.0E13
CO+N2O=N2+CO2          2.7E11   0.000   20237 !! NBS91      Tsang W JPCRD 20:221 1991
CO2+N=NO+CO            2.0E12   0.000   20000 !! A Fernandez A Goumri A Fontijn JPCA 102 (1998) 168172! P Glarborg PG Kristensen K Dam-Johansen MU Alzueta A Millera R Bilbao EF 14 (2000) 828838
CO2+CN=NCO+CO          3.7E06   2.160   26900 !! Wang NS Yang DL Lin MC IJCK 23:151 1991 
HOCO+NO=CO+HONO        1.5E12   0.000       0 ! ! Petty JT Harrison JA Moore CB JPC 97:11194 1993! Olkhov RV Li Q Osborne MC Smith IWM PCCP 3:4522-4528 2001
!CH2O+NO2=HONO+HCO      1.4E-07  5.640    9220 ! ! Xu ZF Lin MC IJCK 35:184 2003
CH2O+NO2=HNO2+HCO      1.1E-01  4.220   19850 ! ! Xu ZF Lin MC IJCK 35:184 2003
CH2O+CN=HCO+HCN        1.7E03   2.720   -1427 !         ! Feng WL Wang Y Zhang SW Pang XY CPL 266:43-46 1997
CH2O+NCO=HNCO+HCO      6.0E12   0.000       0 ! ! Tsang W JPCRD 21:753-791 1992
HCO+NO=HNO+CO          6.9E12   0.000       0 ! ! Dammeier J Colberg M Friedrichs G PCCP 9:4177-4188 2007 
HCO+HNO=NO+CH2O        5.8E-01  3.840     115 ! ! Xu ZF Lin MC IJCK 36:205 2004! 
HCO+NO2=NO+CO2+H       2.3E13   0.000      0 !  Dammeier J Colberg M Friedrichs G PCCP 9:4177-4188 2007 
HCO+NO2=HONO+CO        5.0E12   0.000      0 ! ! Dammeier J Colberg M Friedrichs G PCCP 9:4177-4188 2007! 
HCO+NO2=NO+CO+OH       5.0E12   0.000      0 ! ! Dammeier J Colberg M Friedrichs G PCCP 9:4177-4188 2007 
HCO+NCO=HNCO+CO        3.6E13   0.000       0 ! ! Tsang W JPCRD 21:753-791 1992
CH4+NH2=CH3+NH3        1.5E03   3.010    9940 !      ! Song S Golden DM Hanson RK Bowman CT Senosiain JP Musgrave CB Friedrichs G IJCK 35:304-309 2003
CH4+NO2=CH3+HONO       1.1E-1   4.280   26300 ! ! J. Chai, CF Goldsmith Proc Combust Inst 36 2017 617-626
  DUP                  
CH4+NO2=CH3+HONO       7.4E01   3.420   33100 ! ! J. Chai, CF Goldsmith Proc Combust Inst 36 2017 617-626
  DUP
CH4+NO2=CH3+HNO2       4.0E-1   4.180   31200 !J. Chai, CF Goldsmith Proc Combust Inst 36 2017 617-626
CH4+CN=CH3+HCN         8.6E05   2.300     -32 !Herbert L Smith IWM Spencer-Smith RD IJCK 24:791-802 1992
CH4+NCO=CH3+HNCO       9.8E12   0.000    8120 !Schuck A Volpp H-R Wolfrum J CF 99:491 1994
CH3+NH2=CH4+NH         2.8E06   1.940    9210 !Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
!CH4+NH=CH3+NH2        9.0E13   0.000   20000 !ROH/WAG94 
CH3+NH2=CH2+NH3        1.6E06   1.870    7570 !Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH3+NH=CH2NH+H         4.0E13   0.000       0 !Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH3+NH=N+CH4           8.2E05   1.870    5852 !Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH3+N=H2CN+H           7.1E13   0.000       0 !Davidson DF Hanson RK PCI 23:267-273 1991! TV Alves, AGS de Oliveira Filho, FR Ornellas, Chemical Physics Letters 457 (2008) 36-41 (theory)!
CH3+H2NO=CH3O+NH2      2.0E13   0.000       0 !Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH3+H2NO=CH4+HNO       1.6E06   1.870    2961 !Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH3+HNO=NO+CH4         1.5E11   0.760     348 !YM Choi, MC Lin Int J Chem Kinet 2005 37 261-274 
CH3+HNO=CH3NO+H        8.1E03   2.400    6160 !YM Choi, MC Lin Int J Chem Kinet 2005 37 261-274 
CH3+NO=HCN+H2O         1.5E-1   3.520    3950 !JA Miller CF Melius P Glarborg IJCK 30 (1998) 223-228
CH3+NO=H2CN+OH         1.5E-1   3.520    3950 !JA Miller CF Melius P Glarborg IJCK 30 (1998) 223-228
!CH3+NO2=CH3O+NO       +1.10000000E+013 +0.00000000E+000 +0.00000000E+000 !!P Glarborg AB Bendtsen JA Miller IJCK 31 (1999) 591-602! Wollenhaupt M Crowley JN JPCA
CH3+NO2=CH3O+NO    4.3E13 -0.2 0.0E0 ! 
CH3+CN=CH2CN+H         1.0E14   0.000       0 !JAM est
CH3+HOCN=CH3CN+OH      5.0E12   0.000    2000 !JAM est
CH2+N2=HCN+NH          1.0E13   0.000   74000 !JAM est
CH2+N=HCN+H            5.0E13   0.000       0 !JAM est
CH2+NO=HCNO+H          3.1E12   0.000    -378 !B Atakan D Kocis J Wolfrum PCI 24:691 1992! Fikri M Meyer S Roggenbuck J Temps F Far Disc 119:223-242 2001
CH2+NO=HCN+OH          3.9E11   0.000    -378 !B Atakan D Kocis J Wolfrum PCI 24:691 1992! Fikri M Meyer S Roggenbuck J Temps F Far Disc 119:223-242 2001
CH2+NO2=CH2O+NO        5.9E13   0.000       0 !Seidler V Temps F Wagner HGg Wolf M JPC 93:1070 1989
CH2(S)+NH3=CH2NH2+H    3.0E13   0.000       0 !est!
CH2(S)+NO=HCN+OH       2.0E13   0.000       0 !JAM est
CH2(S)+NO=CH2+NO       1.0E14   0.000       0 !Baulch DL Cobos CJ Cox RA Frank P Hayman G Just Th Kerr JA Murrells T Pilling MJ Troe J Walker RW Warnatz J JPCRD 23:847-1033 1994
CH2(S)+N2O=CH2O+N2     3.8E13   0.000       0 !           ! M Koch, F Temps, R Wagener, HG Wagner,! "Kinetics of the reactions of CH2 (1A1) with CH3C2H, HCN, CO2, N2O and COS." ! Ber Bunsenges phys Chem 94 (1990) 645-650.
CH+N2=H+NCN    9.5E9 0.81 2.034E4
    PLOG/1.0E-2 5.9E8 1.06E0 1.596E4/
    PLOG/3.0E-2 5.9E8 1.06E0 1.595E4/
    PLOG/1.0E-1 6.2E8 1.05E0 1.596E4/
    PLOG/3.0E-1 9.0E8 1.01E0 1.612E4/
    PLOG/1.0E0 2.5E9 8.9E-1 1.662E4/
    PLOG/3.0E0 9.2E9 7.5E-1 1.741E4/
    PLOG/1.0E1 3.0E10 6.2E-1 1.848E4/
    PLOG/3.0E1 3.8E10 6.2E-1 1.946E4/
    PLOG/1.0E2 9.5E9 8.1E-1 2.034E4/
! S.J. Klippenstein, M. Pfeifle, A.W. Jasper, P. Glarborg, Theory and Modeling of Relevance to Prompt-NO Formation at High Pressure, 
! Combust. Flame, submitted (2017).
CH+N2=HNCN    3.1E17 -1.78 1.524E4
    PLOG/1.0E-2 6.0E23 -4.41E0 1.441E4/
    PLOG/3.0E-2 7.3E23 -4.3E0 1.476E4/
    PLOG/1.0E-1 7.3E23 -4.17E0 1.52E4/
    PLOG/3.0E-1 4.8E23 -4.0E0 1.557E4/
    PLOG/1.0E0 1.4E23 -3.74E0 1.582E4/
    PLOG/3.0E0 1.7E22 -3.38E0 1.584E4/
    PLOG/1.0E1 6.8E20 -2.9E0 1.569E4/
    PLOG/3.0E1 1.8E19 -2.37E0 1.543E4/
    PLOG/1.0E2 3.1E17 -1.78E0 1.524E4/
! S.J. Klippenstein, M. Pfeifle, A.W. Jasper, P. Glarborg, Theory and Modeling of Relevance to Prompt-NO Formation at High Pressure,! Combust. Flame, submitted (2017).
CH+NH3=>H2CN+H+H         4.4E13   0.000    -630 ! ! Becker KH Engelhardt B Geiger H Kurtenbach R Wiesen P CPL 210:135-140 1993
CH+N=CN+H               1.3E13   0.000       0 ! ! Messing I Filseth SV Sadowski CM Carrington T JCP 74:3874 1981
CH+NO=CO+NH             9.1E12   0.000       0 ! ! Baulch DL Bowman CT Cobos CJ Cox RA Just Th Kerr JA Pilling MJ Stocker D Troe J Tsang W Walker RW Warnatz J JPCRD 34:757-1397 2005
CH+NO=NCO+H             1.8E13   0.000       0 ! ! Baulch DL Bowman CT Cobos CJ Cox RA Just Th Kerr JA Pilling MJ Stocker D Troe J Tsang W Walker RW Warnatz J JPCRD 34:757-1397 2005
CH+NO=HCN+O             7.9E13   0.000       0 !  ! Baulch DL Bowman CT Cobos CJ Cox RA Just Th Kerr JA Pilling MJ Stocker D Troe J Tsang W Walker RW Warnatz J JPCRD 34:757-1397 2005
CH+NO=CN+OH             1.1E12   0.000       0 ! ! Baulch DL Bowman CT Cobos CJ Cox RA Just Th Kerr JA Pilling MJ Stocker D Troe J Tsang W Walker RW Warnatz J JPCRD 34:757-1397 2005
CH+NO=HCO+N             6.8E12   0.000       0 ! ! Baulch DL Bowman CT Cobos CJ Cox RA Just Th Kerr JA Pilling MJ Stocker D Troe J Tsang W Walker RW Warnatz J JPCRD 34:757-1397 2005
CH+NO2=HCO+NO           1.0E14   0.000       0 !  Wagal SS Carrington T Filseth SV Sadowski CM CP 69:61 1982! Rim KT Hershberger F JPCA 102:5898 1998
CN+N=C+N2               5.9E14  -0.400       0 !  Baulch DL Bowman CT Cobos CJ Cox RA Just Th Kerr JA Pilling MJ Stocker D Troe J Tsang W Walker RW Warnatz J JPCRD 34:757-1397 2005
CH+N2O=HCN+NO           1.9E13   0.000    -511 ! ! Becker KH Engelhardt B Geiger H Kurtenbach R Wiesen P CPL 210:135-140 1993
C+NO=CN+O               2.0E13   0.000       0 ! ! Baulch DL Cobos CJ Cox RA Frank P Hayman G Just Th Kerr JA Murrells T Pilling MJ Troe J Walker RW Warnatz J JPCRD 23:847-1033 1994
C+NO=CO+N               2.8E13   0.000       0 ! ! Baulch DL Cobos CJ Cox RA Frank P Hayman G Just Th Kerr JA Murrells T Pilling MJ Troe J Walker RW Warnatz J JPCRD 23:847-1033 1994
C+N2O=CN+NO             4.8E12   0.000       0 ! ! Dorthe G Caubet P Vias Th Barrere B Marchais J JPC 95:5109-5116 1991
CH3OH+NO2=HONO+CH2OH    1.5E02   3.320   20035 ! ! Xiao C-X Yan N Zou M Hou S-C Kou Y Liu W Zhang S J Mol Cat A Chem 252:202-211 2006
CH3OH+NO2=HNO2+CH2OH    2.4E03   2.900   27470 ! ! Xiao C-X Yan N Zou M Hou S-C Kou Y Liu W Zhang S J Mol Cat A Chem 252:202-211 2006
CH3O+HNO=NO+CH3OH       3.2E13   0.000       0 !! He Y Sanders WA Lin MC JPC 92:5474 1988 
CH3O+NO=HNO+CH2O        7.5E12   0.000    2017 !! Caralp F Rayez M-T Forst W Gomez N Delcroix B Fittschen C Devolder P JCSFT 94:3321-3330 1998
 DUPLICATE                                     !
CH3O+NO=HNO+CH2O        2.5E18  -2.560       0 !! Caralp F Rayez M-T Forst W Gomez N Delcroix B Fittschen C Devolder P JCSFT 94:3321-3330 1998
 DUPLICATE                                     !
CH3O+NO2=HONO+CH2O      6.0E12   0.000    2285 ! ! McCaulley JA Anderson SM Jeffries JB CP Lett. 115:180 1985
CH2OH+HNO=NO+CH3OH      3.0E13   0.000       0 ! ! CL Rasmussen AE Rasmussen P Glarborg CF 154 (2008) 529-545 est
CH2OH+NO=HNCO+H2O       1.0E11   0.000       0 ! #N#! Nesbitt FL Payne WA Stiff LJ JPC 93:5158 1989 (ktot=1.3E12)! W. Feng, E. Janssen, J. F. Hershberger, J. Phys. Chem. A 2016, 120, 1145-1152 (10% HNCO+H2O; 90% adduct; low pressure)
CH2OH+NO2=HONO+CH2O     5.0E12   0.000       0 ! ! Nesbitt FL Payne WA Stiff LJ JPC 93:5158 1989
CH3O2+NO=CH3O+NO2       1.4E12   0.000    -715 ! 
!CH3O2+NO=CH3O+NO2      0.7E12   0.000    -348 !! Atkinson R Baulch DL Cox RA Crowley JN Hampson RF Hynes RG Jenkin ME Rossi MJ Troe JACP 6:3625-4055 2006
!---------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\C1+NOx
!----------------------------------------------------------------------------------------------------------------------------------
CH3CO+NO2=>CH3+CO2+NO 1.5E13   0.000       0 ! ! Slagle IR Gutman D J Am Chem Soc 104, 4741, 1982 (p=CH3CO2+NO) 
HCCO+N=HCN+CO         5.0E13   0.000       0 ! ! JAM est 
HCCO+NO=HCNO+CO       7.5E12   0.000    -676 ! ! JP Meyer JF Hershberger J Phys Chem B 2005, 109, 8363 (78%)! Carl, S.A.; Sun, Q.; Vereecken, L.; Peeters, J. J. Phys. Chem. A 2002 106 12242-12247
HCCO+NO=HCN+CO2       2.1E12   0.000    -676 ! ! JP Meyer JF Hershberger J Phys Chem B 2005, 109, 8363 (22%)! Carl, S.A.; Sun, Q.; Vereecken, L.; Peeters, J. J. Phys. Chem. A 2002 106 12242-12247
HCCO+NO2=HCNO+CO2     1.6E13   0.000       0 ! ! Temps F Wagner HGg Wolf M ZPC (Munich) 176:27 1992 (p)
C2O+NO=CO+NCO         1.0E14   0.000     670 !       ! Thweat WD Erickson MA Hershberger JF JPCA 108:74-79 2004 (p)
C2O+NO2=CO2+NCO       5.1E13   0.000     125 !       ! Thweat WD Erickson MA Hershberger JF JPCA 108:74-79 2004 (p)!
NCN+M=C+N2+M          8.9E14   0.000   62100 ! 966-1900 K! J Dammeier, N Fassheber, G Friedrichs, Phys. Chem. Chem. Phys., 2012, 14, 10301037
! A Busch, N. Gonzalez-Garcia, G. Lendvay, M. Olzmann J. Phys. Chem. A 2015, 119, 7838-7846
! (4.2E14 / 0 / 57870 (1790-2960 K) good agreement in overlap
H+NCN=HNCN    5.1E27 -4.15 5.37E3
    PLOG/1.0E-2 3.9E23 -4.34E0 5.347E3/
    PLOG/3.0E-2 3.3E25 -4.71E0 4.102E3/
    PLOG/1.0E-1 5.6E27 -5.13E0 3.741E3/
    PLOG/3.0E-1 1.7E29 -5.36E0 3.947E3/
    PLOG/1.0E0 1.5E30 -5.43E0 4.415E3/
    PLOG/3.0E0 2.6E30 -5.34E0 4.87E3/
    PLOG/1.0E1 1.2E30 -5.09E0 5.275E3/
    PLOG/3.0E1 1.9E29 -4.72E0 5.476E3/
    PLOG/1.0E2 5.1E27 -4.15E0 5.37E3/
NCN+H=HCN+N    2.5E11 0.69 5.371E3
    PLOG/1.0E-2 2.2E11 7.1E-1 5.321E3/
    PLOG/3.0E-2 2.2E11 7.1E-1 5.321E3/
    PLOG/1.0E-1 2.2E11 7.1E-1 5.321E3/
    PLOG/3.0E-1 2.2E11 7.1E-1 5.321E3/
    PLOG/1.0E0 2.2E11 7.1E-1 5.321E3/
    PLOG/3.0E0 2.2E11 7.1E-1 5.321E3/
    PLOG/1.0E1 2.2E11 7.1E-1 5.322E3/
    PLOG/3.0E1 2.3E11 7.0E-1 5.327E3/
    PLOG/1.0E2 2.5E11 6.9E-1 5.371E3/
! S.J. Klippenstein, M. Pfeifle, A.W. Jasper, P. Glarborg, Theory and Modeling of Relevance to Prompt-NO Formation at High Pressure, ! Combust. Flame, submitted (2017).
NCN+H=HNC+N    9.6E-3 4.32 3.641E3
    PLOG/1.0E-2 3.9E-4 4.7E0 2.44E3/
    PLOG/3.0E-2 3.9E-4 4.7E0 2.44E3/
    PLOG/1.0E-1 4.0E-4 4.7E0 2.44E3/
    PLOG/3.0E-1 4.0E-4 4.7E0 2.438E3/
    PLOG/1.0E0 4.3E-4 4.69E0 2.434E3/
    PLOG/3.0E0 4.9E-4 4.67E0 2.423E3/
    PLOG/1.0E1 7.1E-4 4.62E0 2.408E3/
    PLOG/3.0E1 1.7E-3 4.52E0 2.622E3/
    PLOG/1.0E2 9.6E-3 4.32E0 3.641E3/
! S.J. Klippenstein, M. Pfeifle, A.W. Jasper, P. Glarborg, Theory and Modeling of Relevance to Prompt-NO Formation at High Pressure, ! Combust. Flame, submitted (2017).
NCN+O=CN+NO    2.5E13 0.17 -3.4E1   ! R. S. Zhu and M. C. Lin, J. Phys. Chem. A 2007, 111, 6766-6771

NCN+OH=NCNOH    1.5E27 -4.35 3.691E3
    PLOG/1.0E-2 1.6E31 -6.65E0 2.718E3/
    PLOG/3.0E-2 2.9E31 -6.59E0 2.94E3/
    PLOG/5.0E-2 3.8E31 -6.55E0 3.042E3/
    PLOG/1.0E-1 2.2E32 -6.7E0 3.421E3/
    PLOG/3.0E-1 1.6E32 -6.51E0 3.578E3/
    PLOG/1.0E0 1.8E32 -6.37E0 3.924E3/
    PLOG/3.0E0 5.4E31 -6.08E0 4.106E3/
    PLOG/1.0E1 6.5E30 -5.67E0 4.217E3/
    PLOG/3.0E1 2.2E29 -5.11E0 4.086E3/
    PLOG/1.0E2 1.5E27 -4.35E0 3.691E3/
! S.J. Klippenstein, M. Pfeifle, A.W. Jasper, P. Glarborg, Theory and Modeling of Relevance to Prompt-NO Formation at High Pressure, ! Combust. Flame, submitted (2017).
NCN+OH=NCO+NH    6.3E16 -1.25 1.022E4
    PLOG/1.0E-2 8.6E14 -9.5E-1 7.34E2/
    PLOG/3.0E-2 2.6E15 -1.08E0 1.128E3/
    PLOG/5.0E-2 5.4E15 -1.17E0 1.391E3/
    PLOG/1.0E-1 1.7E16 -1.3E0 1.843E3/
    PLOG/3.0E-1 1.4E17 -1.55E0 2.791E3/
    PLOG/1.0E0 1.7E18 -1.83E0 4.143E3/
    PLOG/3.0E0 1.0E19 -2.03E0 5.607E3/
    PLOG/1.0E1 2.2E19 -2.08E0 7.339E3/
    PLOG/3.0E1 6.4E18 -1.88E0 8.866E3/
    PLOG/1.0E2 6.3E16 -1.25E0 1.022E4/
! S.J. Klippenstein, M. Pfeifle, A.W. Jasper, P. Glarborg, Theory and Modeling of Relevance to Prompt-NO Formation at High Pressure, ! Combust. Flame, submitted (2017).
NCN+OH=HCN+NO    2.6E11 0.48 8.655E3
    PLOG/1.0E-2 2.9E5 2.04E0 1.505E3/
    PLOG/3.0E-2 6.9E5 1.94E0 1.748E3/
    PLOG/5.0E-2 1.2E6 1.87E0 1.902E3/
    PLOG/1.0E-1 2.9E6 1.76E0 2.163E3/
    PLOG/3.0E-1 1.9E7 1.54E0 2.727E3/
    PLOG/1.0E0 2.6E8 1.22E0 3.593E3/
    PLOG/3.0E0 4.1E9 8.9E-1 4.624E3/
    PLOG/1.0E1 7.1E10 5.6E-1 5.985E3/
    PLOG/3.0E1 3.9E11 3.8E-1 7.329E3/
    PLOG/1.0E2 2.6E11 4.8E-1 8.655E3/
! S.J. Klippenstein, M. Pfeifle, A.W. Jasper, P. Glarborg, Theory and Modeling of Relevance to Prompt-NO Formation at High Pressure, ! Combust. Flame, submitted (2017).
NCN+O2=NCO+NO                      1.3E12   0.000    23167 ! ! N Fassheber, G Friedrichs, Int. J. Chem. Kinet. 47 586-595, 2015
NCN+NO=CN+N2O                      1.9E12   0.000    6280 ! 704-1659 K! J Dammeier, G Friedrichs, J. Phys. Chem. A 2011, 115, 1438214390! low T recombination (O Welz M Olzmann J. Phys. Chem. A 2012, 116, 7293-7301)

NCN+NCN=CN+CN+N2                   3.7E12   0.000       0 ! 966-1900 K! J Dammeier, N Fassheber, G Friedrichs, Phys. Chem. Chem. Phys., 2012, 14, 10301037
NCN+H2=HNCN+H                      4.1E13   0.000   24100 ! ! N Fassheber N Lamoureux, G Friedrichs, Phys. Chem. Chem. Phys. DOI: 10.1039/c5cp01414j
HNCN+O=HNC+NO                      1.2E14  -0.050      72 !! S. Xu and M. C. Lin, Proc. Combust. Inst. 2009, 32, 99106.
HNCN+O=NH+NCO                      5.6E13  -0.050      72 !! S. Xu and M. C. Lin, Proc. Combust. Inst. 2009, 32, 99106.
HNCN+O=CN+HNO                      9.4E12  -0.050      72 !! S. Xu and M. C. Lin, Proc. Combust. Inst. 2009, 32, 99106.
HNCN+OH=NCN+H2O                    1.0E05   2.480   -1887 !! S. Xu and M. C. Lin, J. Phys. Chem. A, 2007, 111, 67306740.
HNCN+O2=>NCN+HO2                    1.3E08   1.280   24200 !! S. Xu and M. C. Lin, Proc. Combust. Inst. 2009, 32, 99106.
NCN+HO2=>HNCN+O2 1E+14 0 0                             !! MECH_CHECK

NCNOH=NCO+NH    1.9E29 -4.97 6.285E4
    PLOG/1.0E-2 2.1E35 -7.73E0 5.642E4/
    PLOG/3.0E-2 4.0E35 -7.67E0 5.687E4/
    PLOG/5.0E-2 4.0E35 -7.61E0 5.708E4/
    PLOG/1.0E-1 8.5E36 -7.93E0 5.793E4/
    PLOG/3.0E-1 8.6E34 -7.2E0 5.79E4/
    PLOG/1.0E0 5.8E36 -7.62E0 5.964E4/
    PLOG/3.0E0 1.0E36 -7.27E0 6.054E4/
    PLOG/1.0E1 7.1E34 -6.81E0 6.164E4/
    PLOG/3.0E1 6.2E32 -6.1E0 6.24E4/
    PLOG/1.0E2 1.9E29 -4.97E0 6.285E4/
! S.J. Klippenstein, M. Pfeifle, A.W. Jasper, P. Glarborg, Theory and Modeling of Relevance to Prompt-NO Formation at High Pressure, ! Combust. Flame, submitted (2017).
NCNOH=>NCNO+H    9.2E26 -4.81 6.996E4
    PLOG/1.0E-2 9.9E-28 8.75E0 5.068E4/
    PLOG/3.0E-2 1.5E3 4.9E-1 7.177E4/
    PLOG/5.0E-2 1.6E-16 5.85E0 5.696E4/
    PLOG/1.0E-1 1.6E-4 2.58E0 6.416E4/
    PLOG/3.0E-1 9.3E-1 1.66E0 6.419E4/
    PLOG/1.0E0 2.1E10 -1.12E0 6.684E4/
    PLOG/3.0E0 1.5E15 -2.31E0 6.706E4/
    PLOG/1.0E1 5.9E20 -3.63E0 6.841E4/
    PLOG/3.0E1 1.7E24 -4.35E0 6.914E4/
    PLOG/1.0E2 9.2E26 -4.81E0 6.996E4/
! S.J. Klippenstein, M. Pfeifle, A.W. Jasper, P. Glarborg, Theory and Modeling of Relevance to Prompt-NO Formation at High Pressure, ! Combust. Flame, submitted (2017).
NCNOH=HCN+NO    4.3E28 -4.78 6.295E4
    PLOG/1.0E-2 1.5E23 -4.81E0 5.257E4/
    PLOG/3.0E-2 1.2E24 -4.88E0 5.381E4/
    PLOG/5.0E-2 5.4E24 -4.97E0 5.449E4/
    PLOG/1.0E-1 1.2E27 -5.53E0 5.596E4/
    PLOG/3.0E-1 1.7E27 -5.35E0 5.696E4/
    PLOG/1.0E0 4.2E30 -6.14E0 5.926E4/
    PLOG/3.0E0 2.1E31 -6.14E0 6.046E4/
    PLOG/1.0E1 3.4E31 -5.99E0 6.165E4/
    PLOG/3.0E1 5.3E30 -5.57E0 6.246E4/
    PLOG/1.0E2 4.3E28 -4.78E0 6.295E4/
! S.J. Klippenstein, M. Pfeifle, A.W. Jasper, P. Glarborg, Theory and Modeling of Relevance to Prompt-NO Formation at High Pressure, ! Combust. Flame, submitted (2017).
NCNOH+H=HNCN+OH    1.2E14 0.0 0.0E0 
NCNOH+O=>NCNO+OH    1.2E14 0.0 0.0E0 
NCNOH+O=CN+HONO    6.0E13 0.0 0.0E0 
NCNOH+OH=>NCNO+H2O    6.0E13 0.0 0.0E0 
NCNO+H=>HNC+NO    6.0E13 0.0 0.0E0 
NCNO+O=>NCO+NO    6.0E13 0.0 0.0E0
! S.J. Klippenstein, M. Pfeifle, A.W. Jasper, P. Glarborg, Theory and Modeling of Relevance to Prompt-NO Formation at High Pressure,! Combust. Flame, submitted (2017).! rough estimates
 
HNCNH+H=HNCN+H2      4.8E08   1.500    7322 !! est 2x ch2nh+h
HNCNH+O=HNCN+OH      3.4E08   1.500    4630 !! est 2x ch2nh+o
HNCNH+OH=HNCN+H2O    2.4E06   2.000     -89 !! est 2x ch2nh+oh
!----------------------------------------------
!  Nitro and nitroso hydrocarbon subset
!-------------------------------------------------
CH3+NO(+M)=CH3NO(+M)    9.0E12 0.0 1.92E2    ! Davies JW Green NJB Pilling MJ JCSFT 87:2317-2324 1991
    LOW/2.5E16 0.0E0 -2.841E3/
    TROE/5.0E0 1.0E-30 1.2E2 1.0E30/

CH3NO+H=CH2NO+H2     4.4E08   1.50      378 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH3NO+O=CH2NO+OH     3.3E08   1.50     3616 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH3NO+OH=CH2NO+H2O   3.6E06   2.00    -1192 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH3NO+CH3=CH2NO+CH4  7.9E05   1.87     5415 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH3NO+NH2=CH2NO+NH3  2.8E06   1.94     1073 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH3NO+O=CH3+NO2      1.7E06   2.08        0 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH3NO+OH=CH3+HONO    2.5E12   0.00      994 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
 
CH2NO=HNCO+H    1.7E38 -7.64 5.3579E4       ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
    PLOG/1.0E-1 6.9E41 -9.3E0 5.1702E4/
    PLOG/1.0E0 2.3E42 -9.11E0 5.3838E4/
    PLOG/1.0E1 1.7E38 -7.64E0 5.3579E4/
CH2NO+H=CH3+NO        4.0E13   0.00        0 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH2NO+H=HCNO+H2       4.8E08   1.50     -894 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH2NO+O=CH2O+NO       7.0E13   0.00        0 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH2NO+O=HCNO+OH       3.3E08   1.50     -894 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH2NO+OH=CH2OH+NO     4.0E13   0.00        0 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH2NO+OH=HCNO+H2O     2.4E06   2.00    -1192 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH2NO+O2=CH2O+NO2     1.1E23  -3.29     3895 !  T=900-2500 !! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH2NO+CH3=C2H5+NO     3.0E13   0.00        0 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH2NO+CH3=HCNO+CH4    1.6E06   1.87    -1113 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH2NO+NH2=CH2NH2+NO   3.0E13   0.00        0 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH2NO+NH2=HCNO+NH3    1.8E06   1.94    -1152 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000 
!Matsugi and Shiina, J. Phys. Chem. A 2017, 121
!! A/1.2 = 1.66E+61/1.2 -12.662 70890!A increase 20%
CH3NO2(+M)=CH3+NO2(+M)    2.14E16 0.0 5.95E4
    AR/0.7/
    O2/0.9/
    N2/1.0/
    CO/1.75/
    H2/2.0/
    CO2/3.6/
    H2O/12.0/
    LOW/1.992E61 -1.2662E1 7.089E4/
    TROE/6.8E-1 1.0E-6 1.5E3/
! 100 kPa
CH3NO2=CH3O+NO           1.299E57 -13.41 7.356E4  !Matsugi and Shiina, J. Phys. Chem. A 2017, 121
CH3NO2+H=CH3+HNO2        3.3E12   0.000    3730 ! ! Ko T Fontijn A JPC 95:3984-3987 1991! Thomsen EL Nielsen OJ Egsgaard H Chem Phys Lett 1993, 215, 257! K Zhang Y Li T Yuan J Cai P Glarborg F Qi PCI 33 (2011) 407-414 (change products) 
CH3NO2+H=CH3NO+OH        1.4E12   0.000    3730 ! ! Ko T Fontijn A JPC 95:3984-3987 1991! Thomsen EL Nielsen OJ Egsgaard H Chem Phys Lett 1993, 215, 257
CH3NO2+H=CH2NO2+H2       4.9E13   0.000    9220 ! 0.5 C2H6+H! K Zhang Y Li T Yuan J Cai P Glarborg F Qi PCI 33 (2011) 407-414
CH3NO2+O=CH2NO2+OH       1.5E13   0.000    5350 ! ! Sutter LF Thrush BA J Chem Soc Faraday Trans 1 1997, 73, 2025
CH3NO2+OH=CH2NO2+H2O     5.0E05   2.000    1000 !  ! Glarborg P Bendtsen AB Miller JA IJCK 31:591-602 1999! JAM est
CH3NO2+HO2=CH2NO2+H2O2   3.0E12   0.000   23000 ! ! Glarborg P Bendtsen AB Miller JA IJCK 31:591-602 1999! est A factor, Ea = endothermicity+3kcal (as CH3OH+HO2)
CH3NO2+O2=CH2NO2+HO2     2.0E13   0.000   57000 ! ! Glarborg P Bendtsen AB Miller JA IJCK 31:591-602 1999! est A factor as CH3OH+O2, Ea = endothermicity
CH3NO2+CH3=CH2NO2+CH4    5.5E-01  4.000    8300 ! ! Glarborg P Bendtsen AB Miller JA IJCK 31:591-602 1999! est C2H6+CH3
CH3NO2+CH3O=CH2NO2+CH3OH 3.0E11   0.000    7000 ! ! Glarborg P Bendtsen AB Miller JA IJCK 31:591-602 1999
CH3NO2+NO2=CH2NO2+HONO   3.0E11   0.000   32000 ! ! Glarborg P Bendtsen AB Miller JA IJCK 31:591-602 1999
CH2NO2=CH2O+NO           1.0E13   0.000   36000 ! 1 atm
 PLOG /0.05              5.0E11   0.000   36000./
 PLOG /1.0               1.0E13   0.000   36000./
! JC Tricot A Perche M Lucquin CF 40 (1981) 269291
! K Zhang Y Li T Yuan J Cai P Glarborg F Qi PCI 33 (2011) 407-414
CH2NO2+H=CH3+NO2       5.0E13   0.000       0 ! ! Glarborg P Bendtsen AB Miller JA IJCK 31:591-602 1999
CH2NO2+O=CH2O+NO2      5.0E13   0.000       0 ! ! Glarborg P Bendtsen AB Miller JA IJCK 31:591-602 1999
CH2NO2+OH=CH2OH+NO2    1.0E13   0.000       0 ! ! Glarborg P Bendtsen AB Miller JA IJCK 31:591-602 1999
CH2NO2+OH=CH2O+HONO    1.0E13   0.000       0 ! ! Glarborg P Bendtsen AB Miller JA IJCK 31:591-602 1999
CH2NO2+CH3=C2H5+NO2    5.0E13   0.000       0 ! ! K Zhang Y Li T Yuan J Cai P Glarborg F Qi PCI 33 (2011) 407-414
CH3O+NO(+M)=CH3ONO(+M)    6.0E14 -0.6 0.0E0   ! Caralp F Rayez M-T Forst W Gomez N Delcroix B Fittschen C Devolder P JCSFT 94:3321-3330 1998
    LOW/8.14E25 -2.8E0 0.0E0/
    TROE/1.0E0 1.0E-30 9.0E2 1.0E30/
CH3ONO+H=CH3OH+NO      1.2E11   0.000    1900 ! ! Moortgat GK Slemr F Warneck P IJCK 9:249 1977
CH3ONO+H=CH2O+H2+NO    1.4E11   0.000    1900 ! ! Moortgat GK Slemr F Warneck P IJCK 9:249 1977
CH3ONO+O=CH3O+NO2      1.4E13   0.000    5210 ! ! Davidson JA Thrush BA JCS-FT I 71:2413 1975
CH3ONO+OH=CH3OH+NO2    6.0E13   0.000    3505 ! ! Nielsen OJ Sidebottom HW Donlon M Treacy J IJCK 23:1095-1109 1991
CH3O+NO2(+M)=CH3ONO2(+M)    2.2E15 -0.88 0.0E0  ! Martnez E Albaladejo J Jimnez E Notario A de Mera D 2000
    LOW/2.911E23 -1.74E0 0.0E0/
    TROE/6.0E-1 1.0E-30 1.0E30 1.0E30/
CH3ONO2+H=CH3O+HONO     1.0E12   0.000       0 !! Glarborg P Bendtsen AB Miller JA IJCK 31:591-602 1999
CH3ONO2+O=CH3O+NO3      1.5E13   0.000    5260 ! ! Salter LF Thrush BA JCSFT 1, 1098, 1977
CH3ONO2+OH=CH3O+HONO2   4.9E11   0.000    2027 ! ! Talukdar RK Herndon SC Burkholder JB Roberts JM Ravishankara AR JCSFT 93:2787-2796 1997 

!--------------------------------------------------------------
!   Amino hydrocarbon subset                                                  *
!-------------------------------------------------------------
CH3+NH2=CH3NH2    1.6E47 -10.15 1.5687E4     ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
    PLOG/1.0E-1 1.3E54 -1.272E1 1.5608E4/
    PLOG/1.0E0 5.1E52 -1.199E1 1.679E4/
    PLOG/1.0E1 1.6E47 -1.015E1 1.5687E4/
CH3NH2+M=CH2NH+H2+M      2.4E13   0.000  107260 !! Zhang RQ Han KL Zhu RS Lee CS Lee ST CPL 321:101-105 2000
CH3NH2+H=CH2NH2+H2       5.6E08   1.500    5464 !! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH3NH2+H=CH3NH+H2        4.8E08   1.500    9706 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH3NH2+O=CH2NH2+OH       4.0E08   1.500    5196 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH3NH2+O=CH3NH+OH        3.3E08   1.500    6348 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH3NH2+OH=CH2NH2+H2O     1.0E13   0.000       0 ! ! SA Carl JN Crowley, J. Chem. Phys. A 102 (1998) 8130-8142
CH3NH2+OH=CH3NH+H2O      2.4E06   2.000     447 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH3NH2+CH3=CH2NH2+CH4    1.5E06   1.870    9170 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH3NH2+CH3=CH3NH+CH4     1.6E06   1.870    8842 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH3NH2+NH2=CH2NH2+NH3    2.8E06   1.940    5494 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH3NH2+NH2=CH3NH+NH3     1.8E06   1.940    7143 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH3+NH2=CH2NH2+H    7.4E12 0.0 1.2071E4          ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
    PLOG/1.0E-1 1.1E13 -1.3E-1 9.905E3/
    PLOG/1.0E0 1.4E14 -4.3E-1 1.1107E4/
    PLOG/1.0E1 7.4E12 0.0E0 1.2071E4/
CH3+NH2=CH3NH+H    1.4E14 -0.42 1.7863E4         ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
    PLOG/1.0E-1 1.2E13 -1.5E-1 1.6144E4/
    PLOG/1.0E0 4.4E13 -3.1E-1 1.6641E4/
    PLOG/1.0E1 1.4E14 -4.2E-1 1.7863E4/          ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH3+NH2=CH2NH+H2    2.9E12 -0.4 2.0506E4
    PLOG/1.0E-1 2.1E11 -1.0E-1 1.9095E4/
    PLOG/1.0E0 4.8E11 -2.0E-1 1.9403E4/
    PLOG/1.0E1 2.9E12 -4.0E-1 2.0506E4/          ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH2NH2=CH2NH+H    3.2E46 -9.95 5.353E4
    PLOG/1.0E-1 1.1E45 -1.024E1 4.7817E4/
    PLOG/1.0E0 2.4E48 -1.082E1 5.204E4/
    PLOG/1.0E1 3.2E46 -9.95E0 5.353E4/
CH2NH2+H=CH2NH+H2        4.8E08   1.500    -894 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH2NH2+O=CH2O+NH2        7.0E13   0.000       0 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH2NH2+O=CH2NH+OH        3.3E08   1.500    -894 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH2NH2+OH=CH2OH+NH2      4.0E13   0.000       0 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH2NH2+OH=CH2NH+H2O      2.4E06   2.000   -1192 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH2NH2+O2=CH2NH+HO2      1.0E22  -3.090    6756 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH2NH2+CH3=C2H5+NH2      2.0E13   0.000    2702 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH2NH2+CH3=CH2NH+CH4     1.6E06   1.870    -626 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH3NH=CH2NH+H    2.3E44 -9.51 4.5244E4          ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
    PLOG/1.0E-1 1.6E36 -7.92E0 3.6342E4/
    PLOG/1.0E0 1.3E42 -9.24E0 4.134E4/
    PLOG/1.0E1 2.3E44 -9.51E0 4.5244E4/
CH3NH+H=CH2NH+H2         7.2E08   1.500    -894 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH3NH+O=CH2NH+OH         5.0E08   1.500    -894 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH3NH+OH=CH2NH+H2O       3.6E06   2.000   -1192 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH3NH+CH3=CH2NH+CH4      2.4E06   1.870   -1113 !! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH2NH+H=H2CN+H2          2.4E08   1.500    7322 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH2NH+H=HCNH+H2          3.0E08   1.500    6130 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH2NH+O=H2CN+OH          1.7E08   1.500    4630 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH2NH+O=HCNH+OH          2.2E08   1.500    5404 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH2NH+O=CH2O+NH          1.7E06   2.080       0 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH2NH+OH=H2CN+H2O        1.2E06   2.000     -89 !! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH2NH+OH=HCNH+H2O        2.4E06   2.000     457 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH2NH+CH3=H2CN+CH4       8.2E05   1.870    7123 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH2NH+CH3=HCNH+CH4       5.3E05   1.870    9687 !! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH2NH+NH2=H2CN+NH3       9.2E05   1.940    4441 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH2NH+NH2=HCNH+NH3       1.8E06   1.940    6090 ! ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
H2CN=HCN+H    3.5E29 -5.46 3.2547E4              ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
    PLOG/1.0E-1 1.3E29 -6.03E0 2.9894E4/
    PLOG/1.0E0 6.0E31 -6.46E0 3.211E4/
    PLOG/1.0E1 3.5E29 -5.46E0 3.2547E4/
H2CN+H=HCN+H2    2.4E8 1.5 -8.94E2              ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
H2CN+O=HCN+OH    1.7E8 1.5 -8.94E2              ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
H2CN+OH=HCN+H2O    9.5E21 -2.91 5.633E3         ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
    PLOG/1.0E-1 2.1E17 -1.68E0 3.18E2/
    PLOG/1.0E-1 1.2E6 2.0E0 -1.192E3/
    PLOG/1.0E0 1.5E19 -2.18E0 2.166E3/
    PLOG/1.0E0 1.2E6 2.0E0 -1.192E3/
    PLOG/1.0E1 9.5E21 -2.91E0 5.633E3/
    PLOG/1.0E1 1.2E6 2.0E0 -1.192E3/
H2CN+O2=CH2O+NO    3.0E12 0.0 5.961E3           ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
H2CN+NH2=HCN+NH3    9.2E5 1.94 -1.152E3         ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
H2CN+NH=HCN+NH2    1.7E8 1.5 -8.94E2            !! est H2CN+O! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
H2CN+N=CH2+N2    2.0E13 0.0 0.0E0                ! JAM est
HCNH=HCN+H    6.2E26 -4.77 2.4818E4             ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
    PLOG/1.0E-1 7.7E25 -5.2E0 2.1986E4/
    PLOG/1.0E0 6.1E28 -5.69E0 2.4271E4/
    PLOG/1.0E1 6.2E26 -4.77E0 2.4818E4/
HCNH+H=H2CN+H    2.0E13 0.0 0.0E0                 ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
HCNH+H=HCN+H2    2.4E8 1.5 -8.94E2                ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
HCNH+O=HNCO+H    7.0E13 0.0 0.0E0                 ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
HCNH+O=HCN+OH    1.7E8 1.5 -8.94E2                ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
HCNH+OH=HCN+H2O    1.2E6 2.0 -1.192E3             ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
HCNH+CH3=HCN+CH4    8.2E5 1.87 -1.113E3           ! Dean AM Bozzelli JW (Gardiner WC) Gas Phase Combustion Chemistry, Springer 2000
CH3CH2NH2=C2H4+NH3    6.2E67 -15.944 9.9348E4     ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279. ! 0.04 bar, 1000-2500 K
C2H5+NH2(+M)=CH3CH2NH2(+M)    7.2E12 0.42 0.0E0   ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279. ! est ch3+nh2
    LOW/2.2E30 -3.85E0 0.0E0/
CH3CHNH2+H=CH3CH2NH2            1.7E13   0.220       0 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est i-c3h7+h 
CH2CH2NH2+H=CH3CH2NH2           5.4E13   0.160       0 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est c2h5+h 
CH3CH2NH2+H=CH2CH2NH2+H2        1.2E07   1.800    5100 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est C2H5OH+h 
CH3CH2NH2+H=CH3CHNH2+H2         2.6E07   1.650    2830 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est C2H5OH+h
CH3CH2NH2+H=CH3CH2NH+H2         4.8E08   1.500    9700 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh2+h
CH3CH2NH2+O=CH2CH2NH2+OH        9.4E07   1.700    5460 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est C2H5OH+o 
CH3CH2NH2+O=CH3CHNH2+OH         6.8E12   0.000    1275 !  ! R Atkinson JN Pitts Jr J Chem Phys 68 (1978) 911915 (ktot)
CH3CH2NH2+O=CH3CH2NH+OH         3.3E08   1.500    6348 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh2+o
CH3CH2NH2+OH=CH2CH2NH2+H2O      1.6E12   0.000    1300 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est C2H5OH+oh 
CH3CH2NH2+OH=CH3CHNH2+H2O       1.4E13   0.000       0 ! ! SA Carl JN Crowley JPCA 102 (1998) 81318141 (products)
CH3CH2NH2+OH=CH3CH2NH+H2O       2.4E06   2.000     447 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh2+oh - minor ch in agr with GALALV08 theory 
CH3CH2NH2+HO2=CH2CH2NH2+H2O2    1.2E04   2.550   15750 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est C2H5OH+ho2
CH3CH2NH2+HO2=CH3CHNH2+H2O2     8.2E03   2.550   10750 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est C2H5OH+ho2
CH3CH2NH2+CH3=CH2CH2NH2+CH4     2.2E02   3.180    9620 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est C2H5OH+ch3
CH3CH2NH2+CH3=CH3CHNH2+CH4      7.3E02   2.990    7950 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est C2H5OH+ch3
CH3CH2NH2+CH3=CH3CH2NH+CH4      1.6E06   1.870    8842 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh2+ch3
CH3CH2NH2+NH2=CH2CH2NH2+NH3     2.2E02   3.180    9620 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est C2H5OH+ch3 
CH3CH2NH2+NH2=CH3CHNH2+NH3      7.3E02   2.990    7950 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est C2H5OH+ch3 
CH3CH2NH2+NH2=CH3CH2NH+NH3      1.8E06   1.940    7140 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh2+nh2
C2H4+NH2=CH2CH2NH2              1.2E11   0.000    3955 !  ! P.V. Khe, R. Lesclaux, J. Phys. Chem. 83 (1979) 1119-1122 (addition, close to hpl)
CH2CH2NH2+H=CH2CHNH2+H2         1.8E12   0.000       0 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est n-c3h7 
CH2CH2NH2+O=CH2O+CH2NH2         9.6E13   0.000       0 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est n-c3h7
CH2CH2NH2+OH=CH2CHNH2+H2O       2.4E13   0.000       0 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est n-c3h7 
CH2CH2NH2+HO2=>CH2O+OH+CH2NH2   2.4E13   0.000       0 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est n-c3h7
CH2CH2NH2+O2=CH2CHNH2+HO2       3.7E16  -1.630    3418 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est n-c3h7 
CH2CH2NH2+HCO=CH3CH2NH2+CO      6.0E13   0.000       0 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est n-c3h7 
CH2CH2NH2+CH3=CH2CHNH2+CH4      1.2E13  -0.320       0 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est n-c3h7
CH2CHNH2+H(+M)=CH3CHNH2(+M)     1.4E09   1.463    1355 !! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est c2h4+h(+m) 
 LOW  /2.0E39 -6.642 5769/                                   !
 TROE /-0.569 299 9147 152.4/
CH3CHNH2=CH3CHNH+H            1.1E45 -10.240   47817 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2nh2
CH3CHNH2+H=CH2CHNH2+H2        4.9E08   1.700     588 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3choh 
CH3CHNH2+H=CH3+CH2NH2         8.4E16  -0.891    2903 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3choh 
CH3CHNH2+H=C2H4+NH3           4.7E21  -3.020    2845 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3choh
CH3CHNH2+H=C2H5+NH2           2.0E13   0.000       0 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est i-c3h7 
CH3CHNH2+O=CH3+H2NCHO         4.0E13   0.000       0 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est i-c3h7 
CH3CHNH2+O=CH2CHNH2+OH        2.5E13   0.000       0 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est i-c3h7 
CH3CHNH2+OH=CH2CHNH2+H2O      2.4E13   0.000       0 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est i-c3h7
CH3CHNH2+HO2=>CH3+OH+H2NCHO   2.4E13   0.000       0 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est i-c3h7
CH3CHNH2+O2=CH2CHNH2+HO2      6.7E20  -3.020    2504 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est i-c3h7
CH3CHNH2+HCO=CH3CH2NH2+CO     1.2E14   0.000       0 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est i-c3h7
CH3CHNH2+CH3=CH2CHNH2+CH4     1.8E13   0.000    -769 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est i-c3h7
CH3CH2NH=CH2NH+CH3            1.9E10   0.000   23500 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3ch2o, 0.04 bar, Ea+8 
CH3CH2NH=CH3CHNH+H            1.6E36  -7.920   36342 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh
CH3CH2NH+H=CH3+CH2NH2         1.4E12   0.701     346 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3ch2o+h 
CH3CH2NH+H=CH3CHNH+H2         7.2E08   1.500    -894 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh+h
CH3CH2NH+O=CH3CHNH+OH         5.0E08   1.500    -894 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh+o
CH3CH2NH+OH=CH3CHNH+H2O       3.6E06   2.000   -1192 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh+oh
CH3CH2NH+CH3=CH3CHNH+CH4      2.4E06   1.870   -1113 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh+ch3
CHCHNH2+H(+M)=CH2CHNH2(+M)    3.9E13   0.200       0 ! 
 LOW  /2.10E24 -1.3 0/                                       ! 
 TROE /0.5 1E-30 1E30 1E30/                                  ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est c2h3+h(+m)
CH2CNH2+H(+M)=CH2CHNH2(+M)            3.9E13   0.200       0 ! 
 LOW  /2.10E24 -1.3 0/                                       ! 
 TROE /0.5 1E-30 1E30 1E30/                                  ! 
! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est c2h3+h(+m)
CH2CHNH2+H=CHCHNH2+H2         2.4E02   3.630   11266 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est c2h4+h
CH2CHNH2+H=CH2CNH2+H2         2.4E02   3.630   11266 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est c2h4+h
CH2CHNH2+H=CH2CHNH+H2         4.8E08   1.500    9700 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh2+h
CH2CHNH2+O=CH3+H2NCO          3.9E12   0.000    1494 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est c2h4+o
 DUPLICATE                                           !
CH2CHNH2+O=CH3+H2NCO          6.2E13   0.000    6855 !! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est c2h4+o
 DUPLICATE                                                   !
CH2CHNH2+O=CH2CHNH+OH         3.3E08   1.500    6348 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh2+o
CH2CHNH2+OH=CHCHNH2+H2O       1.3E-1   4.200    -860 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est c2h4+oh
CH2CHNH2+OH=CH2CNH2+H2O       1.3E-1   4.200    -860 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est c2h4+oh
CH2CHNH2+OH=CH2CHNH+H2O       2.4E06   2.000     447 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh2+oh
CH2CHNH2+CH3=CHCHNH2+CH4      6.0E07   1.560   16630 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est c2h4+ch3
CH2CHNH2+CH3=CH2CNH2+CH4      6.0E07   1.560   16630 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est c2h4+ch3
CH2CHNH2+CH3=CH2CHNH+CH4      1.6E06   1.870    8842 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh2+ch3
CH2CHNH2+NH2=CHCHNH2+NH3      5.3E12   0.000   10274 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est c2h4+nh2
CH2CHNH2+NH2=CH2CNH2+NH3      5.3E12   0.000   10274 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est c2h4+nh2
CH2CHNH2+NH2=CH2CHNH+NH3      1.8E06   1.940    7143 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh2+nh2
CH3CHNH=CH2CHNH2              5.0E18  -2.4965  67995 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! 0.04 bar, 1300-3000 K
CH2CHNH+H=CH3CHNH             5.8E13   0.180    -125 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2chch2+h
CH3+HCNH=CH3CHNH              1.8E13   0.000       0 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3+hco
CH3CHNH+H=CH2CHNH2+H          3.0E13   0.000       0 !! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est 
CH3CHNH+H=CH3CNH+H2           4.7E13  -0.350    3000 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3hco+h
CH3CHNH+H=CH2CHNH+H2          1.9E12   0.400    5359 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3hco+h
CH3CHNH+H=CH3CHN+H2           2.4E08   1.500    7322 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2nh+h
CH3CHNH+O=CH3CNH+OH           1.8E18  -1.900    2975 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3hco+o
CH3CHNH+O=CH2CHNH+OH          3.7E13  -0.200    3556 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3hco+o
CH3CHNH+O=CH3CHN+OH           1.7E08   1.500    4630 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2nh+o
CH3CHNH+OH=CH3CNH+H2O         2.4E11   0.300   -1000 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3hco+oh
CH3CHNH+OH=CH2CHNH+H2O        3.0E13  -0.600     800 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3hco+oh
CH3CHNH+OH=CH3CHN+H2O         1.2E06   2.000     -89 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2nh+oh
CH3CHNH+CH3=CH3CNH+CH4        3.9E-07  5.800    2200 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3hco+ch3
CH3CHNH+CH3=CH2CHNH+CH4       2.5E01   3.150    5727 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3hco+ch3
CH3CHNH+CH3=CH3CHN+CH4        8.2E05   1.870    7123 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2nh+ch3
CH3CHNH+NH2=CH3CHN+NH3        9.2E05   1.940    4441 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2nh+nh2
NH2+C2H2=CHCHNH2              7.8E-18  8.310    7430 ! ! L.V. Moskaleva, M.C. Lin, J. Phys. Chem. A 102 (1998) 46874693 ktot(350mbar) 
CHCNH2+H(+M)=CHCHNH2(+M)    1.7E10 1.266 2.709E3     ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est c2h2+h(+m)
    H2/2.0/
    CO/2.0/
    CO2/3.0/
    H2O/5.0/
    LOW/6.3E31 -4.664E0 3.78E3/
    TROE/7.878E-1 -1.0212E4 1.0E30/
CHCHNH2+H=CHCNH2+H2          4.5E13   0.000       0 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est c2h3+h
CHCHNH2+OH=CHCNH2+H2O        2.0E13   0.000       0 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est c2h3+oh
CHCHNH2+O2=CHOCHO+NH2        4.0E12   0.000       0 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est chchoh+o2
CHCHNH2+CH3=CHCNH2+CH4       2.0E13   0.000       0 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est c2h3+ch3
CHCNH2+H(+M)=CH2CNH2(+M)    1.7E10 1.266 2.709E3    ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est c2h2+h(+m)
    H2/2.0/
    CO/2.0/
    CO2/3.0/
    H2O/5.0/
    LOW/6.3E31 -4.664E0 3.78E3/
    TROE/7.878E-1 -1.0212E4 1.0E30/
CH2CNH2+H=CHCNH2+H2       4.5E13   0.000       0 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est c2h3+h
CH2CNH2+O=CH2CO+NH2       3.0E13   0.000       0 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est c2h3+o
CH2CNH2+OH=CHCNH2+H2O     2.0E13   0.000       0 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est c2h3+oh
CH2CNH2+O2=CHOCHO+NH2     4.0E12   0.000       0 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est chchoh+o2
CH2CNH2+CH3=CHCNH2+CH4    2.0E13   0.000       0 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est c2h3+ch3
CH2CHNH+H=CH3+HCNH        1.0E14   0.000       0 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2cho+h
CH2CHNH+H=CH3CNH+H        3.0E13   0.000       0 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2cho+h
CH2CHNH+H=CH2CNH+H2       2.0E13   0.000       0 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2cho+h
CH2CHNH+O=CH2CNH+OH       2.0E13   0.000       0 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2cho+o
CH2CHNH+OH=CH2CNH+H2O     2.0E13   0.000       0 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2cho+oh
CH2CHNH+OH=CH2OH+HCNH     1.0E13   0.000       0 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2cho+oh
CH2CHNH+O2=CH2O+CO+NH2    5.7E17  -1.757   11067 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2cho+o2 (1 atm)
CH3CNH=CH3+HNC            6.5E18  -2.520   33000 !   ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3co; Ea+17 (1 atm)
CH3CNH=CH3CN+H            7.7E25  -5.200   24000 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est hcnh; Ea+2 0.1 atm 
CH3CNH+H=CH3+HCNH         2.1E13   0.000       0 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3co+h
CH3CNH+H=CH2CNH+H2        1.2E13   0.000       0 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3co+h
CH3CNH+H=CH3CN+H2         2.4E08   1.500    -894 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est hcnh+h
CH3CNH+O=CH3+HNCO         1.6E14   0.000       0 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3co+o
CH3CNH+O=CH2CNH+OH        5.3E13   0.000       0 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3co+o
CH3CNH+O=CH3CN+OH         1.7E08   1.500    -894 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est hcnh+o
CH3CNH+OH=CH2CNH+H2O      1.2E13   0.000       0 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3co+oh
CH3CNH+OH=CH3CN+H2O       1.2E06   2.000   -1192 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est hcnh+oh
CH3CNH+O2=CH2O+CO+NH2     1.9E12   0.000       0 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3co+o2
CH3CNH+CH3=CH2CNH+CH4     5.3E13   0.000       0 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3co+ch3
CH3CNH+CH3=CH3CN+CH4      8.2E05   1.870   -1113 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est hcnh+ch3
CH3+HCN=CH3CHN            1.0E12   0.000    9900 !          ! B Wang H Hou Y Gu J Phys Chem A 105 (2001) 156-164! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est 
CH3CHN+H=CH3CN+H2         2.4E08   1.500    -894 !            ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est h2cn+h
CH3CHN+H=CH2CHN+H2        9.0E13   0.000   15100 !   ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3+h
CH2CHN(S)+H2=CH3CHN+H     7.2E13   0.000       0 !            ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2(s)+h2
CH3CHN+O=CH3CN+OH         1.7E08   1.500    -894 !          ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est h2cn+o
CH3CHN+OH=CH3CN+H2O       1.2E06   2.000   -1192 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est h2cn+oh
CH3CHN+OH=CH2CHN+H2O      1.1E03   3.000    2780 !   ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3+oh
CH3CHN+OH=CH2CHN(S)+H2O   4.4E13  -0.3485   -727 !   ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3+oh
CH3CHN+NH2=CH3CN+NH3      9.2E05   1.940   -1152 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est h2cn+nh2
CHCNH2+H=CHCNH+H2         4.8E08   1.500    9706 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh2+h
CHCNH2+O=CHCNH+OH         3.3E08   1.500    6348 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh2+o
CHCNH2+O=HCCO+NH2         1.4E07   2.000    1900 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est c2h2+o
CHCNH2+OH=CHCNH+H2O       2.0E12   0.000       0 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh2+oh
CHCNH2+CH3=CHCNH+CH4      1.6E06   1.870    8842 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh2+ch3
CHCNH2+NH2=CHCNH+NH3      1.8E06   1.940    7143 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh2+nh2
CH2CNH=CH3CN              2.5E13   0.000   70300 !   ! A. Doughty, G.B. Bacskay, J.C. Mackie, J. Phys. Chem. 98 (1994) 13546-13555
CH2CNH+H=CH3CN+H          3.0E13   0.000       0 !   ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est 
CH2CNH+H=CH3+HNC          3.3E10   0.851    2840 !        ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2co+h
CH2CNH+H=CHCNH+H2         3.0E07   2.000   10000 !        ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2co+h
CH2CNH+H=CH2CN+H2         2.4E08   1.500    7322 !   ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279. est ch2nh+h
CH2CNH+O=CH2+HNCO         1.8E12   0.000    1350 !        ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2co+o
CH2CNH+O=CHCNH+OH         2.0E07   2.000   10000 !        ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2co+o
CH2CNH+O=CH2CN+OH         1.7E08   1.500    4630 !   ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2nh+o
CH2CNH+OH=CH2OH+HNC       1.0E12   0.000   -1013 !        ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2co+oh
CH2CNH+OH=CH3+HNCO        6.7E11   0.000   -1013 !        ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2co+oh
CH2CNH+OH=CHCNH+H2O       1.0E07   2.000    3000 !        ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2co+oh
CH2CNH+OH=CH2CN+H2O       1.2E06   2.000     -89 !   ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2nh+oh
CH2CNH+CH3=CH2CN+CH4      8.2E05   1.870    7123 !   ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2nh+ch3
CH2CNH+NH2=CH2CN+NH3      9.2E05   1.940    4441 !   ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2nh+nh2
CH2CHN+H=CH3+HCN          1.0E13   0.000       0 !   ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est 
CH2CHN+O=CH2O+HCN         5.0E13   0.000       0 !   ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est 
CH2CHN+O2=CH2O+HNCO       1.0E12   0.000       0 !   ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est 
CH2CHN(S)+M=CH2CHN+M      1.0E13   0.000       0 !     ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2(s)      
 H/0/
CH2CHN(S)+H=CH2CHN+H       1.0E14   0.000       0 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2(s)
CH2CHN(S)+H=CH3+HCN        3.0E13   0.000       0 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est 
CH2CHN(S)=C-C2H3N          3.0E13   0.000    4000 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est 
CH2CHN(S)=CH3CN            3.0E13   0.000    8000 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est 
CH2CHN(S)+O=>HCO+HCN+H     3.0E13   0.000       0 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est 
CH2CHN(S)+OH=>CH2O+HCN+H   3.0E13   0.000       0 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est 
C-C2H3N=CH3CN              4.7E13   0.000   41500 !          ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.
C-C2H3N+H=CH2NCH2          9.8E09   1.212    1969 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.
C-C2H3N+H=CH2CHNH          1.1E10   1.229    2422 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.
C-C2H3N+O=>H2CN+HCO        1.0E13   0.000       0 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est 
C-C2H3N+O=>C2H3+NO         1.0E13   0.000       0 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est 
C-C2H3N+OH=>H2CN+CH2O      5.0E12   0.000       0 !          ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est 
CHCNH+H=CH2+HNC            1.5E14   0.000       0 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est hcco+h
CHCNH+O=H+CO+HNC           1.0E14   0.000       0 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est hcco+o
CHCNH+OH=HCO+HCNH          1.0E13   0.000       0 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est hcco+oh
CHCNH+O2=HNCO+HCO          4.9E12  -0.142    1150 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est hcco+o2
CHCNH+O2=HNC+CO+OH         1.6E11  -0.020    1020 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est hcco+o2
CHCNH+O2=HNC+HCO+O         2.2E02   2.690    3540 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est hcco+o2
H2NCHO(+M)=CO+NH3(+M)      1.0E14   0.000   75514 !  ! T Kakumoto K Saito A Imamura JPC 89 (1985) 22862291        
    LOW  / 8.3E14 0.00 49084/
H2NCHO+M=HCO+NH2+M         1.4E16   0.000   72900 !           ! T Kakumoto K Saito A Imamura JPC 89 (1985) 22862291
H2NCHO+M=H2NCO+H+M         4.6E15   0.000   64200 !           ! T Kakumoto K Saito A Imamura JPC 89 (1985) 22862291!
H2NCHO+H=H2NCO+H2          1.3E13   0.000    6955 !           ! EA Syrstad F Turecek JPCA 105 (2001) 1114411155
H2NCHO+H=HCO+NH3           1.0E13   0.000   19100 !     ! EA Syrstad F Turecek JPCA 105 (2001) 1114411155! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.
H2NCHO+O=H2NCO+OH          4.0E08   1.500    5196 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh2+o
H2NCHO+OH=H2NCO+H2O        8.0E12   0.000       0 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh2+oh
H2NCHO+CH3=H2NCO+CH4       7.0E05   2.000    9000 !         ! J.C. Boden, R.A. Back, Trans. Faraday Soc. 66 (1970) 175182! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.
H2NCHO+NH2=H2NCO+NH3       2.0E06   2.000    5000 !        ! R.A. Back, T. Yokota, Int. J. Chem. Kinet. 5 (1973) 3746 (573 K)! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est 
H2NCO(+M)=CO+NH2(+M)       5.9E12   0.000   25000 !   ! R.A. Back, T. Yokota, Int. J. Chem. Kinet. 5 (1973) 3746 (573 K)        
 LOW  / 1.0E14 0.00 21700/
H2NCO+H=HNCO+H2              3.0E13   0.000       0 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est 
H2NCO+O=HNCO+OH              3.0E13   0.000       0 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est 
H2NCO+OH=HNCO+H2O            3.0E13   0.000       0 !          ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est 
CH3NHCH2+H(+M)=CH3NHCH3(+M)  5.2E17  -0.990    1580 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est c2h5+h(+m)
 LOW  /1.99E41 -7.08 6685/                                   !
 TROE /0.8422 125 2219 6882/                                 !
CH3NCH3+H=CH3NHCH3           1.0E12   0.000       0 !          ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est 
CH3NHCH3+H=CH3NHCH2+H2       5.6E08   1.500    5464 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh2+h
CH3NHCH3+H=CH3NCH3+H2        4.8E08   1.500    9706 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh2+h
CH3NHCH3+O=CH3NHCH2+OH       6.1E12   0.000     556 ! ! R. Atkinson, R.A. Perry, J.N. Pitts Jr., J. Chem. Phys. 68 (1978) 1850-1853 (overall rate)! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.
CH3NHCH3+O=CH3NCH3+OH        3.0E12   0.000     556 !          ! R. Atkinson, R.A. Perry, J.N. Pitts Jr., J. Chem. Phys. 68 (1978) 1850-1853 (overall rate)! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.
CH3NHCH3+OH=CH3NHCH2+H2O     2.0E13   0.000       0 !         ! S.A. Carl, J.N. Crowley, J. Phys. Chem. A 102 (1998) 8131-8141! A. Galano, R. Alvarez-Idaboy, J. Chem. Theory Comput. 4 (2008) 322-327
CH3NHCH3+OH=CH3NCH3+H2O      1.9E13   0.000       0 !  ! S.A. Carl, J.N. Crowley, J. Phys. Chem. A 102 (1998) 8131-8141! A. Galano, R. Alvarez-Idaboy, J. Chem. Theory Comput. 4 (2008) 322-327
CH3NHCH3+CH3=CH3NHCH2+CH4    1.5E06   1.870    9170 !  ch3nh2+ch3! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh2+ch3
CH3NHCH3+CH3=CH3NCH3+CH4     1.6E06   1.870    8842 !  ch3nh2+ch3! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh2+ch3
CH3NHCH3+NH2=CH3NHCH2+NH3    2.8E06   1.940    5494 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh2+nh2
CH3NHCH3+NH2=CH3NCH3+NH3     1.8E06   1.940    7143 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh2+nh2
CH3NHCH2=CH3+CH2NH           9.8E43	-10.302   37459 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! 0.04 bar 
CH3NHCH2=CH3NCH2+H           5.9E44 -10.314   46803 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! 0.04 bar 
CH3NHCH2+H=CH3NCH2+H2        4.8E08   1.500    -894 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2nh2+h
CH3NHCH2+O=CH2O+CH3NH        7.0E13   0.000       0 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2nh2+o
CH3NHCH2+O=CH3NCH2+OH        3.3E08   1.500    -894 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2nh2+o
CH3NHCH2+OH=CH2OH+CH3NH      4.0E13   0.000       0 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2nh2+oh
CH3NHCH2+OH=CH3NCH2+H2O      2.4E06   2.000   -1192 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2nh2+oh
CH3NHCH2+CH3=C2H5+CH3NH      2.0E13   0.000    2702 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2nh2+ch3
CH3NHCH2+CH3=CH3NCH2+CH4     1.6E06   1.870    -626 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2nh2+ch3
CH3NCH3=CH3NCH2+H            1.6E35  -7.544   38425 !        ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! 0.04 bar 
CH3NCH3+H=CH3NCH2+H2         3.2E12   0.000       0 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est i-c3h7
CH3NCH3+O=CH3NO+CH3          5.0E13   0.000       0 !          ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est 
CH3NCH3+OH=CH3NCH2+H2O       2.4E13   0.000       0 ! ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est i-c3h7
CH3NCH3+O2=CH3NO+CH3O        1.0E09   1.000    6000 !       ! C.R.C. Lindley, J.G. Calvert, J.H. Shaw, Chem. Phys. Lett. 67 (1979) 57-62! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.
CH3NCH3+CH3=CH3NCH2+CH4      6.0E12   0.000       0 !           ! J Seetula K Kalliorinne J Koskikallio J Photochem Photobiol A 43 (1988) 3141
CH2NCH2+H=CH3NCH2            5.8E13   0.180    -125 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2chch2+h 
CH3NCH2+H=CH2NCH2+H2         5.6E08   1.500    5464 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh2+h 
CH3NCH2+H=CH3NCH+H2          3.0E08   1.500    6130 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2nh+h  
CH3NCH2+O=CH2NCH2+OH         4.0E08   1.500    5196 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh2+o 
CH3NCH2+O=CH3NCH+OH          2.2E08   1.500    5404 !            ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2nh+o 
CH3NCH2+OH=CH2NCH2+H2O       8.0E12   0.000       0 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh2+oh 
CH3NCH2+OH=CH3NCH+H2O        2.4E06   2.000     457 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2nh+oh 
CH3NCH2+CH3=CH2NCH2+CH4      1.5E06   1.870    9170 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh2+ch3 
CH3NCH2+CH3=CH3NCH+CH4       5.3E05   1.870    9687 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2nh+ch3 
CH3NCH2+NH2=CH2NCH2+NH3      2.8E06   1.940    5494 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch3nh2+nh2 
CH3NCH2+NH2=CH3NCH+NH3       1.8E06   1.940    6090 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est ch2nh+nh2 
CH2NCH2=CH3NCH               1.3E45 -10.068   66111 !  ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! 0.04 bar, 700-3000 K 
CH2NCH2+H=CH3+H2CN           3.0E13   0.000       0 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est 
CH2NCH2+O=CH2O+H2CN          3.0E13   0.000       0 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est 
CH2NCH2+OH=CH2OH+H2CN        2.0E13   0.000       0 !           ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est 
CH3NCH=CH3+HCN               8.1E15  -2.375   14942 !          ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! 0.04 bar
CH3NCH+H=CH2NCH2+H           2.0E13   0.000       0 !            ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est hcnh+h
CH3NCH+O=>CH3+NCO+H          7.0E13   0.000       0 !            ! A Lucassen K Zhang J Warkentin K Moshammer P Glarborg P Marshall K Kohse-Hinghaus, CF 159 (2012) 2254-2279.! est hcnh+h
!----------------------------------------------------------------------------------------------------------------------------------
!\C2+NOx
!\C2H6+NOx
!----------------------------------------------------------------------------------------------------------------------------------
C2H6+NH2=C2H5+NH3            4.5E01   3.460    5600 !   ! Mebel AM Lin MC JPCA 103:2088-2096 1999
C2H6+NO2=C2H5+HONO           3.3E00   3.840   23900 ! ! J. Chai, CF Goldsmith Proc Combust Inst 36 2017 617-626
  DUP   
C2H6+NO2=C2H5+HONO           8.5E01   3.450   32000 !  ! J. Chai, CF Goldsmith Proc Combust Inst 36 2017 617-626
  DUP   
C2H6+NO2=C2H5+HNO2           3.2E02   3.190   26500 !! J. Chai, CF Goldsmith Proc Combust Inst 36 2017 617-626
C2H6+CN=C2H5+HCN             1.2E08   1.800    -994 !! Herbert L Smith IWM Spencer-Smith RD IJCK 24:791-802 1992
C2H5O+NO2(+M)=CH3CH2ONO2(+M)    5.1E15 -1.0 0.0E0
    LOW/5.88E30 -4.0E0 0.0E0/
    TROE/6.0E-1 1.0E-30 1.0E30 1.0E30/
CH3CH2ONO2+OH=C2H5O+HONO2    2.2E12 0.0 2.14E3
    DUP
CH3CH2ONO2+OH=C2H5O+HONO2    3.2E10 0.0 -2.5E2
    DUP
!! C2H6+NCO=C2H5+HNCO                  1.5E-9   6.890   -2910 !! Schuck A Volpp H-R Wolfrum J CF 99:491 1994              !! mECH CHECK
C2H6+NCO=C2H5+HNCO    1.5E-9 6.6 -2.91E3 
C2H5+N=C2H4+NH               4.3E13   0.000       0 !! Stief LJ Nesbitt FL Payne WA Kuo SC Tao W Klemm RB JCP 102:5309-5316 1995
C2H5+N=CH3+H2CN              2.3E13   0.000       0 !! Stief LJ Nesbitt FL Payne WA Kuo SC Tao W Klemm RB JCP 102:5309-5316 1995
C2H5+NO2=C2H5O+NO            4.0E13  -0.200       0 !! CL Rasmussen AE Rasmussen P Glarborg CF 154 (2008) 529-545 ! est NO2+CH3=NO+CH3O 
C2H4+NH2=C2H3+NH3            5.3E12   0.000   10274 !! Hennig G Wagner HGg BBPC 99:989-994 1995 (p) 
!C2H4+CN=CH2CHCN+H                  5.9E14  -0.240       0 !! Herbert L Smith IWM Spencer-Smith RD IJCK 24:791-802 1992
!C2H4+NCO=adduct                                             !! Becker KH Kurtenbach R Wiesen P JPC 99:5986-5991 1995
C2H3+NO=HCN+CH2O              7.0E21  -3.382    1025 !! Stribel F Jusinski LE Fahr A Halpern JB Klippenstein SJ Taatjes CA PCCP 6:2216-2223 2004
!C2H3+HONO=C2H4+NO2           8.1E05   1.870    5504 ! ! J Gimnez-Lpez MU Alzueta CL Rasmussen P Marshall P Glarborg PCI 33 (2011) 449-457.! est CH3+HONO
!C2H3+HNO2=C2H4+NO2           8.1E05   1.870    4838 ! ! J Gimnez-Lpez MU Alzueta CL Rasmussen P Marshall P Glarborg PCI 33 (2011) 449-457.! est CH3+HNO2 
!C2H3+NO2=CH2CHO+NO           7.7E14  -0.600       0 ! ! WD Geppert AJ Eskola RB Timonen L Halonen JPCA 108 (2004) 42324238 
!C2H2+NH2=NH2C2H2             4.6E06   8.310    7430 ! ! Moskaleva LV Lin MC JPCA 102:4687-4693 1998 (0.46 bar)
!C2H2+CN=C2HCN+H              3.6E15  -0.530       0 ! ! Herbert L Smith IWM Spencer-Smith RD IJCK 24:791-802 1992
C2H2+NCO=HCCO+HCN             1.4E12   0.000    1815 ! ! Becker KH Kurtenbach R Wiesen P JPC 99:5986-5991 (C2H4+NCO) 1995
C2H+NH3=C2H2+NH2              7.2E12   0.000    -735 ! ! Carl SA Elsamra RMI Kulkami RM Nguyen HMT Peeters J JPCA 108:3695-3698 2004
C2H+NO=HCN+CO                 4.6E13   0.000     570 ! ! Peeters J van Look H Ceursters B JPCA 100:15124-15129 1996 (ktot) ! W Feng JF Hershberger J. Phys. Chem. A 2013, 117, 3585-3592 (pr)
C2H+NO=CN+HCO                 1.4E13   0.000     570 ! ! Peeters J van Look H Ceursters B JPCA 100:15124-15129 1996 (ktot)! W Feng JF Hershberger J. Phys. Chem. A 2013, 117, 3585-3592 (pr)
C2H+NO2=HCCO+NO               4.6E13   0.000    -258 ! ! Carl, S.A.; Nguyen, H.MT.; Nguyen, M.T.; Peeters, J. J. Chem. Phys. 118, 10996-11008, 2003 (ktot) 
C2+N2=CN+CN                   1.5E13   0.000   41730 !           ! Sommer T Kruse T Roth P Hippler H JPCA 101, 3720-3725 1997
C2+NO=C2O+N                   2.3E13   0.000    8640 !          ! Kruse T Roth P IJCK 31:11-21 1999
C2H5O+NO=CH3CHO+HNO           6.6E12   0.000       0 ! ! Dale V Ray A Vassalli I Poulet G Le Bras G IJCK 27:1121-1133 1995
C2H5O+NO2=CH3CHO+HONO         1.7E12   0.000       0 ! ! Batt L Int. Rev. Phys. Chem. 6:53-90 1987! Frost MJ Smith IWM JCSFT 86:1751-1756 1990 
!PC2H4OH+NO2=>CH2O+CH2OH+NO   7.0E12   0.000       0 ! ! Doughty A Barnes FJ Bromly JH Haynes BS PCI 26 1996 (p=HOCH2CH2O+NO)
PC2H4OH+NO2=>CH2O+CH2OH+NO    14.0E12 0.0 0.0E0 
!CH2CHO+NO=HCN+HOCHO          7.0E21  -3.382    1025 !        7.0E21  -3.382    1025   !ABS ! est as C2H3+NO
CH2CHO+NO2=CH2CO+HONO                 2.0E15  -0.680    1430 ! ! Doughty A Barnes FJ Bromly JH Haynes BS PCI 26 1996
!C2H3OO+NO=CH2CHO+NO2	      1.6E12   0.000    -755 !\ Analogy wiht NO+C2H5O2 in G. lopez, M. Alzueta, C. Rasmussen, P. Marshall, P. Glarborg, Pro. Combust. Inst., 33 (2011) 449-457.!\COMMENT:
C2H3OO+NO=CH2CHO+NO2	      1.6E12 0.0 -7.15E2 !\ Analogy wiht NO+C2H5O2 in G. lopez, M. Alzueta, C. Rasmussen, P. Marshall, P. Glarborg, Pro. Combust. Inst., 33 (2011) 449-457.!\COMMENT:
C2H3NO2+O=CH2CHO+NO2	      4.3E06   1.880     183 !\ Analogy wiht C2H4+O in G. lopez. Alzueta, C. Rasmussen, P. Marshall, P. Glarborg, Pro. Combust. Inst., 33 (2011) 449-457.!\COMMENT:
C2H5NO2(+M)=C2H5+NO2(+M)    3.5E+16 0.0 5.95E4  !high 2.0*1.75E+16\ low 2.0*1.66E61 ANALOGY TO CH3NO2 : Matsugi and Shiina, J. Phys. Chem. A 2017
    AR/0.7/
    O2/0.9/
    N2/1.0/
    CO/1.75/
    H2/2.0/
    CO2/3.6/
    H2O/12.0/
    LOW/3.32E61 -1.2662E1 7.089E4/
    TROE/6.8E-1 1.0E-6 1.5E3/
C2H5NO2=C2H5O+NO    1.299E57 -13.41 7.356E4  !ANALOGY TO CH3NO2 : Matsugi and Shiina, J. Phys. Chem. A 2017
C2H5NO2=CH3CH2ONO    2.1E10 1.0 6.066E4        ! Q Wang D Ng MS Mannan, Ind. Eng. Chem. Res. 48 (2009) 87458751
C2H5NO2+H=CH2CH2NO2+H2    9.8E13 0.0 9.22E3    ! K Zhang L Zhang M Xie LI Ye F Zhang P Glarborg F Qi; Proc Combust Inst 34 (2013) 617-624\! est est C2H6+H
C2H5NO2+H=CH3CHNO2+H2    2.6E7 1.65 2.827E3    ! K Zhang L Zhang M Xie LI Ye F Zhang P Glarborg F Qi; Proc Combust Inst 34 (2013) 617-624\! est C2H5OH+H
C2H5NO2+H=C2H5NO+OH    1.4E12 0.0 3.73E3       ! K Zhang L Zhang M Xie LI Ye F Zhang P Glarborg F Qi; Proc Combust Inst 34 (2013) 617-624\! est CH3NO2+H
!C2H5NO2+O=CH2CH2NO2+OH    1.1E-7 6.5 2.74E2 ! K Zhang L Zhang M Xie LI Ye F Zhang P Glarborg F Qi; Proc Combust Inst 34 (2013) 617-624\! est est C2H6+O
C2H5NO2+O=CH2CH2NO2+OH    1.20E-07	6.15	0.000E+00 
C2H5NO2+O=CH3CHNO2+OH    1.9E7 1.85 1.824E3  ! K Zhang L Zhang M Xie LI Ye F Zhang P Glarborg F Qi; Proc Combust Inst 34 (2013) 617-624\! est C2H5OH+O
C2H5NO2+OH=CH2CH2NO2+H2O    9.2E6 2.0 9.9E2  ! K Zhang L Zhang M Xie LI Ye F Zhang P Glarborg F Qi; Proc Combust Inst 34 (2013) 617-624\! est C2H6+OH
C2H5NO2+OH=CH3CHNO2+H2O    4.6E11 0.15 0.0E0 ! K Zhang L Zhang M Xie LI Ye F Zhang P Glarborg F Qi; Proc Combust Inst 34 (2013) 617-624\! est C2H5OH+OH
C2H5NO2+OH=C2H5OH+NO2    2.0E10 0.0 -1.0E3   ! K Zhang L Zhang M Xie LI Ye F Zhang P Glarborg F Qi; Proc Combust Inst 34 (2013) 617-624\! est CH3NO2+OH=CH3OH+NO2
C2H5NO2+HO2=CH2CH2NO2+H2O2    1.1E5 2.5 1.685E4 ! K Zhang L Zhang M Xie LI Ye F Zhang P Glarborg F Qi; Proc Combust Inst 34 (2013) 617-624\! est C2H6+HO2
C2H5NO2+HO2=CH3CHNO2+H2O2    8.2E3 2.55 1.075E4 ! K Zhang L Zhang M Xie LI Ye F Zhang P Glarborg F Qi; Proc Combust Inst 34 (2013) 617-624\! est C2H5OH+HO2
C2H5NO2+O2=CH2CH2NO2+HO2    7.3E5 2.5 4.916E4   ! K Zhang L Zhang M Xie LI Ye F Zhang P Glarborg F Qi; Proc Combust Inst 34 (2013) 617-624\! est C2H6+O2
C2H5NO2+CH3=CH2CH2NO2+CH4    2.2E2 3.18 9.622E3 ! K Zhang L Zhang M Xie LI Ye F Zhang P Glarborg F Qi; Proc Combust Inst 34 (2013) 617-624\! est C2H5OH+CH3
C2H5NO2+CH3=CH3CHNO2+CH4    7.3E2 2.99 7.948E3  ! K Zhang L Zhang M Xie LI Ye F Zhang P Glarborg F Qi; Proc Combust Inst 34 (2013) 617-624 ! est C2H5OH+CH3
C2H4+NO2=CH2CH2NO2    9.4E11 0.0 1.4E4          ! JL Sprung H Akimoto JN Pitts J Am Chem Soc 96 (1974) 6549-6554
CH3CHNO2=C2H4+NO2    2.0E13 0.0 2.2E4           ! J Gimnez-Lpez MU Alzueta CL Rasmussen P Marshall P Glarborg; PCI 33 (2011) 449-457
C2H5O2+NO=C2H5O+NO2    1.4E12 0.0 -7.15E2
C2H5O+NO(+M)=CH3CH2ONO(+M)    1.2E13 0.0 -1.43E2  ! Dale V Ray A Vassalli I Poulet G Le Bras G IJCK 27:1121-1133 1995 ! Fittschen C Frenzel A Imrik K Devolder P IJCK 31:860-866 1999
    LOW/9.43E19 0.0E0 0.0E0/                       ! Atkinson R Baulch DL Cox RA Crowley JN Hampson RF Hynes RG Jenkin ME Rossi MJ Troe JACP 6:3625-4055 2006
    TROE/6.0E-1 1.0E-30 1.0E30 1.0E30/
CH3CH2ONO+OH=C2H5OH+NO2    1.6E14 0.0 3.505E3   !Nielsen OJ Sidebottom HW Donlon M Treacy J Int. J. Chem. Kinet. 23 1095-1109 1991
C2H5+NO=C2H5NO                        1.4E11   0.000       0 ! ! G Pratt I Veltman J Chem Soc Faraday Trans 172 (1976) 2477-2483
C2H5NO+H=>C2H4+NO+H2                  9.8E13   0.000    9220 !! J Gimnez-Lpez MU Alzueta CL Rasmussen P Marshall P Glarborg; PCI 33 (2011) 449-457! est C2H6+H; CH2CH2NO not stable 
C2H5NO+H=CH3CHNO+H2    4.4E8 1.5 3.78E2  ! J Gimnez-Lpez MU Alzueta CL Rasmussen P Marshall P Glarborg; PCI 33 (2011) 449-457\! est CH3NO+H  
!! C2H5NO+O=>C2H4+NO+OH    1.1E-7 6.5 2.74E2    ! J Gimnez-Lpez MU Alzueta CL Rasmussen P Marshall P Glarborg; PCI 33 (2011) 449-457\! est C2H6+O CH2CH2NO not stable  ! MECH_cHECK
C2H5NO+O=>C2H4+NO+OH	1.20E-07	6.15	0.000E+00
C2H5NO+O=CH3CHNO+OH    3.3E8 1.5 3.616E3     ! J Gimnez-Lpez MU Alzueta CL Rasmussen P Marshall P Glarborg; PCI 33 (2011) 449-457 ! est CH3NO+O
C2H5NO+OH=>C2H4+NO+H2O    9.2E6 2.0 9.9E2    ! J Gimnez-Lpez MU Alzueta CL Rasmussen P Marshall P Glarborg; PCI 33 (2011) 449-457 ! est C2H6+OH CH2CH2NO not stable
C2H5NO+OH=CH3CHNO+H2O    3.6E6 2.0 -1.192E3  ! J Gimnez-Lpez MU Alzueta CL Rasmussen P Marshall P Glarborg; PCI 33 (2011) 449-457 ! est CH3NO+OH
C2H5NO+HO2=>C2H4+NO+H2O2    1.1E5 2.5 1.685E4 ! J Gimnez-Lpez MU Alzueta CL Rasmussen P Marshall P Glarborg; PCI 33 (2011) 449-457 ! est C2H6+HO2 CH2CH2NO not stable
C2H5NO+O2=>C2H4+NO+HO2    7.3E5 2.5 4.916E4   ! J Gimnez-Lpez MU Alzueta CL Rasmussen P Marshall P Glarborg; PCI 33 (2011) 449-457 ! est C2H6+O2 CH2CH2NO not stable
CH3CHNO=C2H4+NO    2.0E13 0.0 2.2E4           ! J Gimnez-Lpez MU Alzueta CL Rasmussen P Marshall P Glarborg; PCI 33 (2011) 449-457 ! est CH3CH->C2H4
!\CH2CHNO+H=CHCHNO+H2    4.4E8 1.5 3.78E2     ! J Gimnez-Lpez MU Alzueta CL Rasmussen P Marshall P Glarborg; PCI 33 (2011) 449-457 ! est CH3NO+H
!\CH2CHNO+H=C2H3+HNO    1.8E13 0.0 2.782E3    ! J Gimnez-Lpez MU Alzueta CL Rasmussen P Marshall P Glarborg; PCI 33 (2011) 449-457 ! est CH3NO+H
!\CH2CHNO+O=CHCHNO+OH    3.3E8 1.5 3.616E3    ! J Gimnez-Lpez MU Alzueta CL Rasmussen P Marshall P Glarborg; PCI 33 (2011) 449-457 ! est CH3NO+O
!! CH2CHNO+O=C2H3+NO2    1.7E8 2.08 0.0E0     !! MECH_CHECK ! J Gimnez-Lpez MU Alzueta CL Rasmussen P Marshall P Glarborg; PCI 33 (2011) 449-457 ! est CH3NO+O
!!CH2CHNO+O=C2H3+NO2    1.0E14 0.00 0.0E0     
!\CH2CHNO+OH=CHCHNO+H2O    3.6E6 2.0 -1.192E3 ! J Gimnez-Lpez MU Alzueta CL Rasmussen P Marshall P Glarborg; PCI 33 (2011) 449-457 ! est CH3NO+OH
!\CH2CHNO+OH=C2H3+HONO    2.5E12 0.0 9.94E2   ! J Gimnez-Lpez MU Alzueta CL Rasmussen P Marshall P Glarborg; PCI 33 (2011) 449-457 ! est CH3NO+OH
CHCHNO=C2H2+NO    1.0E14 0.0 8.9E2            ! Nguyen HMT Sumathi R Nguyen MT J Phys Chem A 103 5015-5022 1999
!----------------------------------------------------------------------------------------------------------------------------------
!\C2H4+NOX from Deng 2017
!----------------------------------------------------------------------------------------------------------------------------------
C2H4+NO2=C2H3+HONO  31.69803003	 3.765309614	31816.11873         !\AUTHOR: Fuquan Deng\ab-initio calculation in XJTU!\COMMENT:
C2H4+NO2=C2H3+HNO2  485.3872335  3.178221388	34686.76118         !\AUTHOR: Fuquan Deng\ab-initio calculation in XJTU!\COMMENT:
C2H4ONO=C2H4+NO2  9.64284E+46	-10.99397423	39202.13808         !\AUTHOR:Fuquan Deng\ab-initio calculation in XJTU!\COMMENT:
PLOG /    0.1     9.64284E+46	-10.99397423	39202.13808/ 
PLOG /    1       6.18175E+45	-10.30724021	40741.78196/
PLOG /    10      2.30422E+39	-8.135465074	39537.62449/
PLOG /    100     1.29346E+29	-4.920065335	35946.61654/
!C2H4NO2=C2H4+NO2  6.09308E+12	-1.373536824	5257.40864          !\AUTHOR:Fuquan Deng\ab-initio calculation in XJTU!\COMMENT:
!PLOG /    0.1     6.09308E+12	-1.373536824	5257.40864/
!PLOG /    1       8.45939E+14	-1.716601106	6402.822386/
!PLOG /    10      9.31068E+17	-2.322668752	8442.460552/
!PLOG /    100     2.10775E+21	-3.018577876	11253.6956/  
C2H4ONO=CH3CHO+NO 7.78077E+55	-13.91075067	53253.78209         !\AUTHOR:Fuquan Deng\ab-initio calculation in XJTU!\COMMENT:
PLOG /    0.001   12.06599E+50	-12.61928392	43531.68177/
PLOG /	  0.01    4.20697E+54	-13.19574923	54710.03708/
PLOG /	  0.1     1.78055E+49	-11.30883811	54141.79641/
PLOG /	  1       4.71173E+39	-8.244799003	51196.26262/
PLOG /	  10      1.20355E+28	-4.658951537	46776.56078/
PLOG /	  100     6.76579E+17	-1.537261504	42512.3327/
PLOG /	  1000    3.54861E+11	 0.360152076	39784.96872/
C2H4ONO=C2H4O1-2+NO 2.28891E+47	-11.73638184	39759.84942         !\AUTHOR: Fuquan Deng\ab-initio calculation in XJTU!\COMMENT:
PLOG /    0.001    2.28891E+47	-11.73638184	39759.84942/
PLOG /	  0.01     1.20752E+50	-12.19959153	41893.81943/
PLOG /	  0.1      7.1368E+52	-12.66479841	44542.02307/
PLOG /	  1        5.88582E+54	-12.87203023	47249.88309/
PLOG /	  10       0.81676E+54	-12.32502931	49002.41623/
PLOG /	  100      7.6873E+48	-10.49297715	48528.23864/
PLOG /	  1000     1.86795E+39	 -7.41565761	45496.14242/
CH2CH2NO2=CH3CHNO2  1.73165E+46	-11.25113713	43951.14157         !\AUTHOR: Fuquan Deng\ab-initio calculation in XJTU!\COMMENT:
PLOG /    0.001   1.73165E+46	-11.25113713	43951.14157/
PLOG /	  0.01    1.10395E+43	-9.985995618	44539.82103/
PLOG /	  0.1     1.48683E+35	-7.399718948	42587.69062/
PLOG /	  1       1.41662E+24	-3.957652305	38623.42253/
PLOG /	  10      2.13896E+13	-0.648015518	34226.22266/
PLOG /	  100     899372.0129	 1.585031424    31057.11587/
PLOG /	  1000    899372.0129	 1.585031424	31057.11587/
CH2CO+NO2=HCCO+HONO 31.69803003	 3.765309614	31816.11873         !\AUTHOR: Fuquan Deng\analogy with C2H4+NO2!\COMMENT:
CH2CO+NO2=HCCO+HNO2 485.3872335	 3.178221388	34686.76118         !\AUTHOR: Fuquan Deng\analogy with C2H4+NO2!\COMMENT:
!C2H3NO2=C2H3+NO2    2.54651E+42	-9.445735276	56882.71487         !\AUTHOR: Fuquan Deng\ab-initio calculation in XJTU!\COMMENT:
!PLOG /    0.1       2.54651E+42	-9.445735276	56882.71487/
!PLOG /    1         11.3050E+62 -14.47584412	70557.70935/
!PLOG /    10        0.102E+56	-12.28047785	77632.79902/
!PLOG /    100       1.64209E+52	-10.96827037	69505.21006/
!PLOG /    1000      1.37823E+42	-7.788331564	66093.6108/
C2H3NO2=C2H2+HNO2   4.17194E+56	-13.66626772	73125.10799         !\AUTHOR: Fuquan Deng\ab-initio calculation in XJTU!\COMMENT:
PLOG /    0.001     4.17194E+56	-13.66626772	73125.10799/
PLOG /    0.01      1.82159E+50	-11.51110062	71917.86441/
PLOG /    0.1       4.10366E+40	-8.443365539	68810.33749/
PLOG /    1         3.10441E+29	-5.005308716	64552.58805/
PLOG /    10        3.68964E+19	-1.980463771	60438.90223/
PLOG /    100       9.24553E+12	 0.015631946   	57585.50575/
PLOG /    1000      11370904692	 0.891824255    56298.50811/
C2H3NO2=C2H2+HONO   6.17605E+58	-14.29659622	68094.6494          !\AUTHOR: Fuquan Deng\ab-initio calculation in XJTU!\COMMENT:
PLOG /    0.001     6.17605E+58	-14.29659622	68094.6494/
PLOG /    0.01      3.40735E+54	-12.7533832	    68026.00989/
PLOG /    0.1       3.52067E+46	-10.14570341	65945.43073/
PLOG /    1         15.11193E+35 -6.867708529	62216.79517/
PLOG /    10        15.70246E+24 -3.508760695	57830.25302/
PLOG /    100       3.48838E+16	-0.90506672	    54181.45185/
PLOG /    1000      18.59274E+11 0.40772238	    52271.24466/
C2H3NO2=CH2CHO+NO   28.84778E+55 -13.48825995	71851.90356         !\AUTHOR: Fuquan Deng\ab-initio calculation in XJTU!\COMMENT:
PLOG /    0.001     28.84778E+55 -13.48825995	71851.90356/
PLOG /    0.01      20.28109E+47 -10.92118461	69767.43012/
PLOG /    0.1       20.10074E+38 -7.941810994	66816.82724/
PLOG /    1         24.82566E+27 -4.550219783	62478.14075/
PLOG /    10        30.48152E+18 -1.83211246    58711.56347/
PLOG /    100       18.44039E+14 -0.562717256   56884.85324/
PLOG /    1000      30.19129E+11 0.286113478    55632.36229/
HOC2H4NO2<=>CH2CH2NO2+OH +8.1000000E+046 -1.1300000E+001 +1.1105340E+005     !Fuquan Deng\analogy with:C2H5OH<=>C2H5+OH !\Author: WARNING !\Ref: SIVARAMAKRISHNAN J. PHYS. CHEM. A, VOL. 114, NO. 35, 2010 !\Comment: WARNING
PLOG / +1.0000000E-003 +8.1000000E+046 -1.1300000E+001 +1.1105340E+005 / 
PLOG / +1.0000000E-002 +1.8600000E+056 -1.3500000E+001 +1.0723840E+005 / 
PLOG / +1.0000000E-001 +4.6500000E+063 -1.5000000E+001 +1.0962280E+005 / 
PLOG / +1.0000000E+000 +4.4600000E+065 -1.4900000E+001 +1.1234500E+005 / 
PLOG / +1.0000000E+001 +2.7900000E+061 -1.3400000E+001 +1.1308020E+005 / 
PLOG / +1.0000000E+002 +6.1700000E+051 -1.0300000E+001 +1.0994070E+005 / 
HOC2H4NO2=PC2H4OH+NO2  1.73756E+44    -9.53503627	    65438.37352                       !\AUTHOR: Fuquan Deng\ab-initio calculation in XJTU!\COMMENT:                
PLOG/      0.1         1.73756E+44    -9.53503627	    65438.37352/
PLOG/      1           1.59864E+48	  -10.37237239  	68320.73287/
PLOG/      10          1.59996E+44	  -9.026857018	    67667.06106/
PLOG/    100.0         2.4998E+41	  -7.695101253	    68664.64143/
!! HOC2H4NO2=PC2H4OH+NO2  1.73756E+44    -9.53503627	    65438.37352                       !\AUTHOR: Fuquan Deng\ab-initio calculation in XJTU!\COMMENT:                
!! PLOG/      0.1         0.83756E+44    -9.53503627	    65438.37352/
!! PLOG/      1           0.89864E+48	  -10.37237239  	68320.73287/
!! PLOG/      10          1.5996E+44	  -9.026857018	    67667.06106/
!! PLOG/    100.0         1.2998E+41	  -7.695101253	    68664.64143/
HOC2H4NO2=>CH2O+CH2+HONO    1.1496E+53  -13.06943381    55502.2879         !\ !\AUTHOR: Fuquan Deng\ab-initio calculation in XJTU!\COMMENT:
PLOG / 1	                1.1496E+53  -13.06943381    55502.2879/
PLOG / 10	                2.93676E+79 -20.05344527    80091.45708/
PLOG / 100	                6.7271E+137 -35.74701717    133994.1087/
PLOG / 1000	                3.70939E+56 -12.91066336    72988.34127/
HOC2H4NO2=C2H3OH+HONO       7.51576E-06	  3.38236136    18175.94908    !\AUTHOR: Fuquan Deng\ab-initio calculation in XJTU!\COMMENT:
PLOG/1.00E+00               7.51576E-06	  3.38236136    18175.94908/  
PLOG/1.00E+01               9.32709E+14	 -1.847804124	37322.65315/
PLOG/1.00E+02               4.47747E+63	 -14.87178386	81325.4091/
PLOG/1.00E03                4.552E+99	 -24.25198232	119635.7155/
!PC2H4OH+NO2=CH2O+CH2+HONO  7.00E12      0.0           0                  !\ !\COMMENT: same as PC2H4OH+NO2=>CH2O+CH2OH+NO    7.0E12 0.0 0.0E0
!PC2H4OH+NO2=>CH2O+CH2+HONO  5.02E12      -0.2           0                  !\ !\AUTHOR: Fuquan Deng\Estimated in XJTU!\COMMENT:
PC2H4OH+NO2=>CH2O+CH2+HONO  1.02E13      -0.2           0                  !\ !\AUTHOR: Fuquan Deng\Estimated in XJTU!\COMMENT:
C2H4O1-2+NO2=C2H3O1-2+HNO2  7964.37563	  3.002018718	26712.24263        !\AUTHOR: Fuquan Deng\ab-initio calculation in XJTU!\COMMENT:
C2H4O1-2+NO2=C2H3O1-2+HONO  87.02978664	  3.624817054	27584.67679        !\AUTHOR: Fuquan Deng\ab-initio calculation in XJTU!\COMMENT:
!\C2H+NO2=HCCO+NO             7.05E13       0.             0.0               !\Darwin D C, Moore C B. J. Phys. Chem., 1995, 99(36): 13467-13470.!\COMMENT:
!C2H2+NO2=C2H+HONO	        7.26E12	      0.00	        0                  !\5*A/Thomas J H. Transactions of the Faraday Society, 1952, 48: 1142-1149.!\COMMENT:
CH3CHNO2=CH3CNO+OH 1.43E+05  -1.163  22523.7                        !!Zhang K, Glarborg P, Zhou X, et al. Energy Fuels, 2016, 30(9): 7738-7745.!\COMMENT:
PLOG /    0.01  1.43E+05  -1.163  22523.7/
PLOG /    0.1    5.98E+07  -1.14  24189.8 /
PLOG /    1     9.19E+09  -1.21  25307.7 /
PLOG /    10    3.40E+11  -1.155  28288.6 /
CH3CHNO2=C2H3+HONO   4.16E+10  -1.36  19041.6                       !\Zhang K, Glarborg P, Zhou X, et al. Energy Fuels, 2016, 30(9): 7738-7745.!\COMMENT:
PLOG /    0.01    4.16E+10  -1.36  19041.6 /
PLOG /    0.1    4.76E+11  -1.298  20989.8  /
PLOG /    1     8.25E+12  -1.39  22319.1  /
PLOG /    10    5.75E+13  -1.344  24995.4  /
CH3CHNO2=CH2CHNO+OH     2.29E+12  -1.396  18212                      !\Zhang K, Glarborg P, Zhou X, et al. Energy Fuels, 2016, 30(9): 7738-7745.!\COMMENT:
PLOG /    0.01     2.29E+12  -1.396  18212  /
PLOG /    0.1     1.21E+13  -1.337  19870.7 /
PLOG /    1     1.03E+14  -1.419  20924.1  /
PLOG /    10    3.72E+14  -1.357  23248.4  /
CH3CHNO2=C2H3NO2+H    4.1E+09   -1.232  20751.4                     !\Zhang K, Glarborg P, Zhou X, et al. Energy Fuels, 2016, 30(9): 7738-7745.!\COMMENT:/3
PLOG /    0.01        4.1E+09   -1.232  20751.4 /
PLOG /    0.1         2.76E+11  -1.219  22611.9 /
PLOG /    1           1.13E+13  -1.326  23929.4 /
PLOG /    10          1.23E+14  -1.237  26498.4  /
CH3CHNO2+H=C2H5+NO2                    2.0E14   0.000       0         !!Zhang K, Glarborg P, Zhou X, et al. Energy Fuels, 2016, 30(9): 7738-7745.!\COMMENT:
CH3CHNO2+CH3=CH3CHNO+CH3O              5.0E13   0.000       0         !!Zhang K, Glarborg P, Zhou X, et al. Energy Fuels, 2016, 30(9): 7738-7745.!\COMMENT:
C2H5NO2=C2H4+HONO         1.379E+73  -18.60      70472                 !\Zhang K, Zhang L, Xie M, et al. Proc. Combust. Inst., 2013, 34(1): 617-624.!\COMMENT:
PLOG / 0.0067             1.379E+73  -18.60     70472/
PLOG / 0.01	              2.776E+80	 -20.74     74131/
PLOG / 0.046  	          1.06E+77	 -19.55	    73632/
PLOG / 0.1    	          9.679E+74	 -18.87	    73231/
PLOG / 1	              6.913E+67	 -16.52	    71461/
PLOG / 10	              1.039E+59	-13.71	    68719/
C2H5NO2=CH2CHNO+H2O       8.90E+51  -20.0      92377.0                  !\Zhang K, Zhang L, Xie M, et al. Proc. Combust. Inst., 2013, 34(1): 617-624.!\COMMENT:
C2H5NO2=CH3CNO+H2O        1.10E+48  -18.4      85601.0                  !\Zhang K, Zhang L, Xie M, et al. Proc. Combust. Inst., 2013, 34(1): 617-624.!\COMMENT:
CH3CNO+H=CHCHNO+H2        4.40E+08    1.5        378.0                  !\Zhang K, Zhang L, Xie M, et al. Proc. Combust. Inst., 2013, 34(1): 617-624.!\COMMENT:
CH3CNO+H=C2H3+HNO         1.80E+13    0.0       2782.0                  !\Zhang K, Zhang L, Xie M, et al. Proc. Combust. Inst., 2013, 34(1): 617-624.!\COMMENT:
CH3CNO+O=CHCHNO+OH        3.30E+08    1.5       3616.0                  !\Zhang K, Zhang L, Xie M, et al. Proc. Combust. Inst., 2013, 34(1): 617-624.!\COMMENT:
CH3CNO+O=C2H3+NO2         1.70E+08    2.1          0.0                  !\Zhang K, Zhang L, Xie M, et al. Proc. Combust. Inst., 2013, 34(1): 617-624.!\COMMENT:
CH3CNO+OH=CHCHNO+H2O      3.60E+06    2.0      -1192.0                  !\Zhang K, Zhang L, Xie M, et al. Proc. Combust. Inst., 2013, 34(1): 617-624.!\COMMENT:
CH3CNO+OH=C2H3+HONO       2.50E+12    0.0        994.0                  !\Zhang K, Zhang L, Xie M, et al. Proc. Combust. Inst., 2013, 34(1): 617-624.!\COMMENT:
CH2CHNO+H=CHCHNO+H2       4.40E+08    1.5        378.0                  !\Zhang K, Zhang L, Xie M, et al. Proc. Combust. Inst., 2013, 34(1): 617-624.!! J Gimnez-Lpez MU Alzueta CL Rasmussen P Marshall P Glarborg; PCI 33 (2011) 449-457
CH2CHNO+H=C2H3+HNO        1.80E+13    0.0       2782.0                  !\Zhang K, Zhang L, Xie M, et al. Proc. Combust. Inst., 2013, 34(1): 617-624.!! J Gimnez-Lpez MU Alzueta CL Rasmussen P Marshall P Glarborg; PCI 33 (2011) 449-457
CH2CHNO+O=CHCHNO+OH       3.30E+08    1.5       3616.0                  !\Zhang K, Zhang L, Xie M, et al. Proc. Combust. Inst., 2013, 34(1): 617-624.!! J Gimnez-Lpez MU Alzueta CL Rasmussen P Marshall P Glarborg; PCI 33 (2011) 449-457
CH2CHNO+O=C2H3+NO2        1.70E+08    2.1          0.0                  !\Zhang K, Zhang L, Xie M, et al. Proc. Combust. Inst., 2013, 34(1): 617-624.!! J Gimnez-Lpez MU Alzueta CL Rasmussen P Marshall P Glarborg; PCI 33 (2011) 449-457
CH2CHNO+OH=CHCHNO+H2O     6.20E+05    2.0      -1192.0                  !\Zhang K, Zhang L, Xie M, et al. Proc. Combust. Inst., 2013, 34(1): 617-624.!! J Gimnez-Lpez MU Alzueta CL Rasmussen P Marshall P Glarborg; PCI 33 (2011) 449-457
CH2CHNO+OH=C2H3+HONO      1.150E+13   0.0          994                  !\Zhang K, Zhang L, Xie M, et al. Proc. Combust. Inst., 2013, 34(1): 617-624.!! J Gimnez-Lpez MU Alzueta CL Rasmussen P Marshall P Glarborg; PCI 33 (2011) 449-457
!C2H3+NO=HCN+CH2O          2.410e+12     0.00    15700.0                 !\AUTHOR: Fuquan Deng\analogy with CH3+NO = HCN+H2O!\COMMENT:
NO2CH2CHO=CH2CHO+NO2      3.8198E+61   -14.83    70656                  !\AUTHOR: Fuquan Deng\ analogy with C2H5NO2=C2H5+NO2!\COMMENT:
PLOG / 0.0067             3.8198E+61   -14.83    70656/
PLOG / 0.01               3.04624E+62  -15.03    71312/
PLOG / 0.046              8.86E+64     -15.52    73513/
PLOG / 0.1                5.60063E+65  -15.64    74502/
PLOG / 1                  2.24946E+66  -15.49    76756/
PLOG / 10                 8.60848E+63  -14.48    77543/
NO2CH2CHO=	CH2OCHO+NO	  2.851E48     -11.020   66953.0                !\AUTHOR: Fuquan Deng\ analogy with C2H5NO2=C2H5+NO2!\COMMENT:
PLOG/      0.1            2.851E48     -11.020   66953.0/
PLOG/      0.2            1.644E48     -10.880   67057.0/
PLOG/      0.5            4.932E47     -10.635   67138.0/
PLOG/      1              4.932E47     -10.635   67138.0/
PLOG/      2              2.333E46     -10.110   67089.0/
PLOG/      5              1.349E45     -09.660   66924.0/
PLOG/      10             1.002E44     -09.265   66722.0/
PLOG/      20             6.266E42     -08.850   66507.0/
PLOG/      50             6.266E42     -07.850   66507.0/
PLOG/    100.0            9.078E39     -07.875   66229.0/
HOC2H4NO2+OH=>HOCH2CHO+H2O+NO   5.e12       0           0               !\AUTHOR: Fuquan Deng\anology wiht C2H5OH+OH<=>SC2H4OH+H2O!\COMMENT:
HOC2H4NO2+H=>HOCH2CHO+H2+NO     1.5e13      0           0               !\AUTHOR: Fuquan Deng\anology wiht C2H5OH+H<=>SC2H4OH+H2!\COMMENT:
HOC2H4NO2+HO2=>HOCH2CHO+H2O2+NO 5.e12       0           0               !\AUTHOR: Fuquan Deng ets!\COMMENT:
HOC2H4NO2+O=>HOCH2CHO+NO+OH     1.10E-07    6.5         274.0           !\AUTHOR: Fuquan Deng\anology wiht C2H5NO2+O=C2H4NO2+OH!\COMMENT:
PC2H4OH+NO=C2H4O1-2+HNO         3.900e+14  -0.7         0.0             !\AUTHOR: Fuquan Deng ets!\COMMENT:
HOCH2CHO+NO2=HOCH2CO+HNO2       4508.546782	2.971896217	16106.03136     !\AUTHOR: Fuquan Deng\analogy wiht CH3CHO+NO2=CH3CO+HNO2 !\COMMENT:
HOCH2CHO+NO2=HOCH2CO+HONO       174.5375025	3.454999262	13424.09453     !\AUTHOR: Fuquan Deng\a analogy wihtCH3CHO+NO2=CH3CO+HONO !\COMMENT:
HOCH2CHO+NO2=HOCHCHO+HNO2       5.492302955	3.516792571	26357.58415     !\AUTHOR: Fuquan Deng\aanalogy wiht CH3CHO+NO2=CH2CHO+HNO2 !\COMMENT:
HOCH2CHO+NO2=HOCHCHO+HONO       0.003157151	4.624304347	24749.0436      !\AUTHOR: Fuquan Deng\aanalogy wiht CH3CHO+NO2=CH2CHO+HONO !\COMMENT:
!C2H3+NO2=CH2CHO+NO  1.2e+13     -0.2            0.0                     !\AUTHOR: Fuquan Deng\analogy with CH3+NO2 = CH3O+NO!\COMMENT:
CH2O+NO2=HONO+HCO             1.600E+03  2.77  13730.0 !\Tsang W, Herron J T. J. Phys.  Chem. \Ref. Data, 1991, 20(4): 609-663.!\COMMENT:
!NO2+O<=>NO+O2           1.086E+13  0.00       -238 !\AUTHOR: YJZ !\Ref:Tsang and Herron, JPCRD, 1991,20(4): 609-663!\COMMENT: big effect on CO 1.5A_3.91E12
!----------------------------------------------------------------------------------------------------------------------------------
!-----------------Updated by Ahmed Mohamed-----------------------------------------------------------------------------------------------------------------
C2H3NO2(+M)=C2H3+NO2(+M)    1.488E+16 0.0 5.95E4           !high 0.85*1.75E+16\ low 0.85*1.66E61 !ANALOGY TO CH3NO2 : Matsugi and Shiina, J. Phys. Chem. A 2017
    AR/0.7/
    O2/0.9/
    N2/1.0/
    CO/1.75/
    H2/2.0/
    CO2/3.6/
    H2O/12.0/
    LOW/1.411E61 -1.2662E1 7.089E4/
    TROE/6.8E-1 1.0E-6 1.5E3/
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\!C2H2/NOx
!----------------------------------------------------------------------------------------------------------------------------------
C2H2+NO2=CHCHO+NO            1.4E03   2.790   17600         !\AUTHOR:P. Marshall et al. / Proceedings of the Combustion Institute 37 (2019) 469   476
CHCHO+NO2=CHOCHO+NO          5.9E+13     0.000   0            !\AUTHOR:P. Marshall et al. / Proceedings of the Combustion Institute 37 (2019) 469   476\est as CH2+NO2
!C2H3+NO2=CH2CHO+NO          7.7E+14    -0.600   0          !\AUTHOR:P. Marshall et al. / Proceedings of the Combustion Institute 37 (2019) 469   476\[34]
C2H3+NO2=NO+CH2CHO  1.2e+13     -0.2           000.0                 !\AUTHOR: Fuquan Deng\analogy with CH3+NO2 = CH3O+NO!\COMMENT:
C2H2OH+NO2=>HCO+HCOH+NO      7.7E+14    -0.600   0           !\AUTHOR:P. Marshall et al. / Proceedings of the Combustion Institute 37 (2019) 469   476\est as C2H3+NO2
CHOCHO+NO2=>HCO+CO+HONO        1.4E-07    5.640    4640         !\AUTHOR:P. Marshall et al. / Proceedings of the Combustion Institute 37 (2019) 469   476\est as CH2O+NO2
CHCHO+NO=>HCNO+CO+H           5.0E+12    0.000    0            !\AUTHOR:P. Marshall et al. / Proceedings of the Combustion Institute 37 (2019) 469   476\est as CH2+NO
!C2H3+NO=HCN+CH2O             4.0E+13   -0.200    0           !\AUTHOR:P. Marshall et al. / Proceedings of the Combustion Institute 37 (2019) 469   476\[35],b
C2H2OH+NO=HCN+HOCHO           4.0E+13   -0.200    0           !\AUTHOR:P. Marshall et al. / Proceedings of the Combustion Institute 37 (2019) 469   476\est as C2H3+NO (k   )
!C2H3+NO2=C2H3NO2                      1.0E13   0.000       0 !\AUTHOR:P. Marshall et al. / Proceedings of the Combustion Institute 37 (2019) 469   476\est         est
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C3H8+NOX
!----------------------------------------------------------------------------------------------------------------------------------
!\C3H8+NO2=NC3H7+HONO    1.32E14 0.0 3.11E4
!\C3H8+NO2=IC3H7+HONO    1.16E13 0.0 2.819E4
C3H8+NO2=NC3H7+HONO    6.175E0 3.83 2.41E4 !\A*2.5=2.47*2.5\Chai J., Goldsmith C.F. Proc. Combust. Inst., 2017, 36(1): 617-626.!\COMMENT:1-C3H7 +cis-HONO
    DUP
C3H8+NO2=NC3H7+HONO    12.25E1 3.5 3.26E4  !!A*2.5=49*2.5\Chai J., Goldsmith C.F. Proc. Combust. Inst., 2017, 36(1): 617-626.!\COMMENT:1-C3H7 +trans-HONO
    DUP
C3H8+NO2=NC3H7+HNO2    8.43E1 3.28 2.65E4  !\Chai J., Goldsmith C.F. Proc. Combust. Inst., 2017, 36(1): 617-626.!\COMMENT:

C3H8+NO2=IC3H7+HONO    4.125E0 3.69 2.11E4    !\A*2.5=1.65*2.5\\Chai J., Goldsmith C.F. Proc. Combust. Inst., 2017, 36(1): 617-626.!\COMMENT:
    DUP
C3H8+NO2=IC3H7+HONO    4.5E1 3.38 2.98E4  !!A*2.5=18*2.5\Chai J., Goldsmith C.F. Proc. Combust. Inst., 2017, 36(1): 617-626.!\COMMENT:2-C3H7 +cis-HONO
    DUP
C3H8+NO2=IC3H7+HNO2    4.83E1 3.18 2.27E4   !\Chai J., Goldsmith C.F. Proc. Combust. Inst., 2017, 36(1): 617-626.!\COMMENT:2-C3H7 +trans-HONO
!----------------------------------------------
!! Ahmed MOhamed Updates started on 28-10-2021
!----------------------------------------------
C3H8+CN=NC3H7+HCN   1.43E12 1.14  -564       !Hess, W.P.; Durant, J.L., Jr.; Tully, F.P.,1989, Kinetis study of the reactions of CN with ethane and propane
C3H8+CN=IC3H7+HCN   2.95E12  1.17  -874      !Hess, W.P.; Durant, J.L., Jr.; Tully, F.P.1989, Kinetis study of the reactions of CN with ethane and propane
C3H6+N=C2H4+HCN+H   1.5E11   0.0   1649      !Paraskevopoulos, G.; Winkler, C.A., 1967, The rates of the reactions of active nitrogen with ethylene and propylene
!NC3H7+NO2=NC3H7O+NO    4.0E13 -0.2 0.0E0             ! ANALOGY CH3+NO2=CH3O+NO   \4.0E13 -0.2 0.0E0 \0.8*4.0E13=3.2E13
!NC3H7+NO2=NC3H7O+NO    2.2 0.0 0.0E0             !Jaffe, S.; Wan, E,1974 Thermal and Photochemical Reactions of NO2 with Butyraldehyde in Gas Phase\Comment\make it fast at Low-T and slow at High-T
NC3H7+NO2=NC3H7O+NO    2.568E13 -0.14 0.0    !A*0.98=2.62E13*0.98\Rissanen, M.P. et al., 2010, Kinetics of the R + NO2 Reactions (R = i-C3H7, n-C3H7, s-C4H9 and t-C4H9) in the Temperature Range 201-489 K
NC3H7O2+NO=NC3H7O+NO2     1.295E12 0.0 -533     ! A*0.5=2.59E12*0.5=1.2954E12\Chow, J.M.; Miller, A.M.; Elrod, M.J.2003, Kinetics of the C3H7O2 + NO Reaction: Temperature Dependence of the Overall Rate Constant and the i-C3H7ONO2 Branching Channel
!NC3H7O2+NO=NC3H7O+NO2    1.4E12 0.0 -6.95E2   !\A*0.8=1.75E12*0.86=2.8E12\ Atkinson, R, et al., 2001-Review, Summary of Evaluated Kinetic and Photochemical Data for Atmospheric Chemistry
NC3H7ONO=NC3H7O+NO    5.69E21 -1.6 4.274424E4      ! John B. Randazzo et al.,Reaction mechanisms for the dissociation of n-propyl, n-butyl and i-butyl nitrites.(2019)
    PLOG/7.89474E-2 9.38E69 -1.739E1 5.589199E4/
    PLOG/1.578948E-1 1.78E69 -1.706E1 5.610064E4/
    PLOG/3.157896E-1 9.75E67 -1.657E1 5.611058E4/
NC3H7NO2=>C2H4+HCNO+H2O    7.24E7 1.42 5.359712E4   !Wang, R. et al.,Theoretical kinetic investigation of thermal decomposition of nitropropane,2017
NC3H7NO2=C3H6+HONO    3.02E9 1.13 4.205543E4   !Wang, R. et al.,Theoretical kinetic investigation of thermal decomposition of nitropropane,2017
NC3H7NO2=NC3H7ONO    3.43E11 0.82 6.140815E4   !Wang, R. et al.,Theoretical kinetic investigation of thermal decomposition of nitropropane,2017
!!NC3H7NO2=NC3H7ONO    1.8  0.0  0.0 
NC3H7ONO=CH3COCH3+HNO    9.77E-10 6.41 5.056366E4  !Wang, R. et al.,Theoretical kinetic investigation of thermal decomposition of nitropropane,2017
NC3H7NO2=C3H6+HNO2    3.16E11 0.0 4.19E4    !Spokes, G.N.; Benson, S.W., 1967,Very low pressure pyrolysis. II. Decomposition of nitropropanes
!NC3H7NO2+OH=NC3H7OH+NO2    2.0E10 0.0 -1.0E3  ! Analogy\K Zhang L Zhang M Xie LI Ye F Zhang P Glarborg F Qi; Proc Combust Inst 34 (2013) 617-624\! est CH3NO2+OH=CH3OH+NO2
NC3H7NO2+OH=NC3H7OH+NO2    2.23E12  0.0 1371     !Liu, R. et al., the gas phase reactions of hydroxyl radical with a series of nitroalkanes over temperature range 240-400K, 1990
!NC3H7NO2+OH=CH3CH2CHNO2+H2O  4.6E11 0.15 0.0E0 !Analogy\ K Zhang L Zhang M Xie LI Ye F Zhang P Glarborg F Qi; Proc Combust Inst 34 (2013) 617-624\! est C2H5OH+OH
!C2H5NO2+HO2=CH3CHNO2+H2O2    8.2E3 2.55 1.075E4 !Analogy\ K Zhang L Zhang M Xie LI Ye F Zhang P Glarborg F Qi; Proc Combust Inst 34 (2013) 617-624\! est C2H5OH+HO2
!NC3H7ONO+OH=NC3H7OH+NO2      1.570E+14   0.0      3505 !           NIE/SID91
!Nielsen, O.J.; Sidebottom, H.W.; Donlon, M.; Treacy, J.(1991),Rate constants for the gas-phase reactions of OH radicals and Cl atoms with n-alkyl nitrites at atmospheric pressure and 298 K
NC3H7ONO+OH=NC3H7OH+NO2    1.2E-12 0.0 0.0E0
!Zabarnick, S.; Heicklen, J.(1985), The reactions of alkoxy radicals with O2. II. n-C3H7O radicals
NC3H7ONO+OH=C2H5CHO+H2O+NO    5.6E-1 0.0 0.0E0
NC3H7ONO2+OH=C2H5CHO+NO2+H2O    2.2E-1 0.0 0.0E0  ! Morin, J.; Bedjanian, Y.; Romanias, M.N.,2016, Kinetics and Products of the Reactions of Ethyl and n-Propyl Nitrates with OH Radicals
NC3H7ONO2+OH=NC3H7O+HNO3    1.81E11 0.0 0.0E0   !Nielsen, O.J.; Sidebottom, H.W.; Donlon, M.; Treacy, J., 1991,An absolute- and relative-rate study of the gas-phase reaction of OH radicals and Cl atoms with n-alkyl nitrates
NC3H7ONO2=NC3H7O+NO2    4.1E19 0.0 2.98E4     !Morin, J.; Bedjanian, Y.2017, Thermal decomposition of n-propyl and n-butyl nitrates: Kinetics and products
!NC3H7O+NO2=C2H5CHO+HONO
!NC3H7NO2=NC3H7+NO2             6.86E16 0.96  6.18E04    !Wang, R.; Lei, L., 2017,Theoretical kinetic investigation of thermal decomposition of nitropropane
!NC3H7NO2=NC3H7+NO2      1.41E12  0.0 4.49E04 !\A*0.5=1.41E12*0.5=0.705E12\Dubikhin, V.V:.et al,1971 thermal decomostion of mononitroalkanes communication, 1 nitroethane, 1-nitropropane, and 2-nitropropane
IC3H7O2+NO=IC3H7O+NO2    1.63E12 0.0 -7.15E2  ! \A*0.8=1.63E12*0.8=1.304E12\Atkinson, R, et al., 2001-Review, Summary of Evaluated Kinetic and Photochemical Data for Atmospheric Chemistry
IC3H7O2+NO=IC3H7ONO2    2.95E8 0.0 -2.742E3    !Chow, J.M.; Miller, A.M.; Elrod, M.J., 2003, Kinetics of the C3H7O2 + NO Reaction: Temperature Dependence of the Overall Rate Constant and the i-C3H7ONO2 Branching Channel
IC3H7ONO2=IC3H7O+NO2    1.05E16 0.0 3.94E4     !Morin, J.; Bedjanian, Y.,2016, Thermal Decomposition of Isopropyl Nitrate: Kinetics and Products
IC3H7ONO2+OH=CH3COCH3+NO2+H2O    8.2E-1 0.0 0.0E0 !Romanias, M. N.; Morin, J.; Bedjanian, Y. 2015, Experimental Study of the Reaction of Isopropyl Nitrate with OH Radicals: Kinetics and Products
IC3H7+NO2=IC3H7O+NO    2.09E13 -0.91 0.0E0   !A*1.8=2.09E13*1.5=3.762E13\ Rissanen, M.P.; Arppe, S.L.; Eskola, A.J.; Tammi, M.M.; Timonen, R.S.,2010, Kinetics of the R + NO2 Reactions (R = i-C3H7, n-C3H7, s-C4H9 and t-C4H9) in the Temperature Range 2
NC3H7+HNO=C3H8+NO    1.5E11 0.76 3.48E2               !! RH+NO=R+HNO (CH4 + NO = CH3 + HNO)
IC3H7+HNO=C3H8+NO    1.5E11 0.76 3.48E2               !! RH+NO=R+HNO (CH4 + NO = CH3 + HNO)
!C3H8+NO=HNO+NC3H7    1.0E14 0.0 5.11E6   !Laidler, K.J.; Sagert, N.H.; Wojciechowski, B.W., 1962, Kinetics and mechanisms of the thermal decomposition of propane. II. The reaction inhibited by nitric oxide
!C3H8+NO=HNO+IC3H7    1.0E14 0.0 5.11E6    !Laidler, K.J.; Sagert, N.H.; Wojciechowski, B.W., 1962, Kinetics and mechanisms of the thermal decomposition of propane. II. The reaction inhibited by nitric oxide
!IC3H7NO2=IC3H7+NO2              2.52E14  0.0  5.42E4     !\A*0.8=3.15E14*0.8=2.52E14\Zhang, Y.-X.; Bauer, S.H., 2000, Gas-Phase Pyrolyses of 2-Nitropropane and 2-Nitropropanol: Shock-Tube Kinetics
IC3H7ONO=IC3H7O+NO    5.69E21 -1.6 4.274424E4         ! John B. Randazzo et al.,Reaction mechanisms for the dissociation of n-propyl, n-butyl and i-butyl nitrites.(2019)
    PLOG/7.89474E-2 9.38E69 -1.739E1 5.589199E4/
    PLOG/1.578948E-1 1.78E69 -1.706E1 5.610064E4/
    PLOG/3.157896E-1 9.75E67 -1.657E1 5.611058E4/
NC3H7NO2(+M)=NC3H7+NO2(+M)    0.875E16 0.0 5.95E4    !A*0.5=1.75E16*0.5=0.875E16\ANALOGY TO CH3NO2 : Matsugi and Shiina, J. Phys. Chem. A 2017  
    AR/0.7/
    O2/0.9/
    N2/1.0/
    CO/1.75/
    H2/2.0/
    CO2/3.6/
    H2O/12.0/
    LOW/0.83E61 -1.2662E1 7.089E4/                !A*0.5=1.66E61*0.5\ANALOGY TO CH3NO2 : Matsugi and Shiina, J. Phys. Chem. A 2017
    TROE/6.8E-1 1.0E-6 1.5E3/
!NC3H7NO2=NC3H7+NO2      2.68E+50    -11.48   71011 !WENG 2019  Combustion and Flame 203 (2019) 247-254 analogy to CH3NO2
!PLOG / 0.0066  2.68E+50      -11.48     71011/
!PLOG / 0.0394  1.04E+48      -10.68     67928/
!PLOG / 0.0788  1.19E+48      -10.60     67175/
!PLOG / 0.1     3.78E+50      -11.15     72239/
!PLOG / 0.1575  9.51E+47      -10.47     66940/
!PLOG / 1       2.93E49       -10.52     73097/
!PLOG / 10      1.39E+46      -9.27      73087/
!PLOG / 100     5.22E+21      -1.56      61309/
IC3H7NO2(+M)=IC3H7+NO2(+M)    0.875E16 0.0 5.95E4    !A*0.5=1.75E16*0.5=0.875E16\ANALOGY TO CH3NO2 : Matsugi and Shiina, J. Phys. Chem. A 2017
    AR/0.7/
    O2/0.9/
    N2/1.0/
    CO/1.75/
    H2/2.0/
    CO2/3.6/
    H2O/12.0/
    LOW/0.83E61 -1.2662E1 7.089E4/                !A*0.5=1.66E61*0.5\ANALOGY TO CH3NO2 : Matsugi and Shiina, J. Phys. Chem. A 2017
    TROE/6.8E-1 1.0E-6 1.5E3/
IC3H7NO2=>C2H4+HCNO+H2O    7.24E7 1.42 5.359712E4  !Wang, R. et al.,Theoretical kinetic investigation of thermal decomposition of nitropropane,2017\analogy\  NC3H7NO2=)C2H4+HCNO+H2O
IC3H7NO2=C3H6+HONO    3.02E9 1.13 4.205543E4    !Wang, R. et al.,Theoretical kinetic investigation of thermal decomposition of nitropropane,2017\analogy\  NC3H7NO2=C3H6+HONO
IC3H7NO2=C3H6+HNO2    2.0E11 0.0 3.99E4   !Spokes, G.N.; Benson, S.W., 1967, Very low pressure pyrolysis. II. Decomposition of nitropropanes
IC3H7NO2=IC3H7ONO    3.43E11 0.82 6.140815E4    !Wang, R. et al.,Theoretical kinetic investigation of thermal decomposition of nitropropane,2017\NC3H7NO2=NC3H7ONO
IC3H7ONO=CH3COCH3+HNO    1.99E14 0.0 3.89E4   ! Batt, L.; Islam, T.S.A.; Scott, H. (1978),The Gas-Phase Pyrolysis of Alkyl Nitrites. VII. Primary and Secondary Nitrites in the Presence of Nitric Oxide, Int. J. Chem. Kinet.
IC3H7O+NO=CH3COCH3+HNO    3.92E12 0.0 0.0E0    !Atkinson, R.et al, (1997)J. Phys. Chem. \Ref. Data,Evaluated kinetic, photochemical and heterogeneous data for atmospheric chemistry: supplement V, IUPAC subcommittee on gas kinetic data evaluation for at
IC3H7ONO=C3H6+HNO2    5.01E12 0.0 3.8E4   ! Batt, L.; Islam, T.S.A.; Scott, H. (1978),The Gas-Phase Pyrolysis of Alkyl Nitrites. VII. Primary and Secondary Nitrites in the Presence of Nitric Oxide, Int. J. Chem. Kinet.
IC3H7NO2+OH=IC3H7OH+NO2    2.0E10 0.0 -1.0E3   ! Analogy\K Zhang L Zhang M Xie LI Ye F Zhang P Glarborg F Qi; Proc Combust Inst 34 (2013) 617-624\! est CH3NO2+OH=CH3OH+NO2
!IC3H7NO2+OH=CH3CH2CHNO2+H2O  4.6E11 0.15 0.0E0 !Analogy\ K Zhang L Zhang M Xie LI Ye F Zhang P Glarborg F Qi; Proc Combust Inst 34 (2013) 617-624\! est C2H5OH+OH
IC3H7ONO2+OH=IC3H7O+HNO3    1.81E11 0.0 0.0E0  !analogy of (NC3H7ONO2+OH=NC3H7O+HNO3)Nielsen, O.J.; Sidebottom, H.W.; Donlon, M.; Treacy, J., 1991,An absolute- and relative-rate study of the gas-phase reaction of OH radicals and Cl atoms with n-alkyl
C3H6+NO2=C3H5-A+HONO    8.94E-4 4.79 1.81E4    !!A*2.0=2.0*4.47E-04=6.705E-04\J. Chai,C.F.Goldsmith/Proceedings of the Combustion Institute(2016)
    DUP
C3H6+NO2=C3H5-A+HONO    5.26E-6 5.32 2.52E4     !!A*2.0=2.0*2.63E-04=3.945E-04\J. Chai,C.F.Goldsmith/Proceedings of the Combustion Institute(2016)
    DUP
C3H6+NO2=C3H5-A+HNO2    2.54E-2 4.21 1.87E4    !!J. Chai,C.F.Goldsmith/Proceedings of the Combustion Institute(2016)
C3H5NO2+OH=C3H5O+HONO    7.35E12 0.0 0.0E0    !Nielsen, O.J. et al., 1991, Rate constants for the gas-phase reactions of OH radicals with nitroethene, 3-nitropropene and 1-nitrocyclohexene at 298 K and 1 atm
C3H5NO2+OH=C3H5O+HNO2    7.35E12 0.0 0.0E0   !Nielsen, O.J. et al., 1991, Rate constants for the gas-phase reactions of OH radicals with nitroethene, 3-nitropropene and 1-nitrocyclohexene at 298 K and 1 atm
CH3CNO2CH2=CH2O+CH3CNO    1.0E11 0.0 3.7E4   !Zhang, Y.-X.; Bauer, S.H, 2000, The Gas-Phase Pyrolysis of 2,2-Dinitropropane: Shock-Tube Kinetics
CH3CNO2CH2=NO2+C3H5-T    1.0E11 0.0 3.5E4    !Zhang, Y.-X.; Bauer, S.H, 2000, The Gas-Phase Pyrolysis of 2,2-Dinitropropane: Shock-Tube Kinetics
CH3CNO2CH2=C3H4-P+HNO2    1.0E14 0.0 3.5E4  !Zhang, Y.-X.; Bauer, S.H, 2000, The Gas-Phase Pyrolysis of 2,2-Dinitropropane: Shock-Tube Kinetics
C3H5NO2(+M)=C3H5-A+NO2(+M)    1.424E16 0.0 5.95E4      !analogy\Matsugi and Shiina, J. Phys. Chem. A 2017, 121\CH3NO2(+M)=CH3+NO2(+M), A*0.8
    AR/0.7/
    O2/0.9/
    N2/1.0/
    CO/1.75/
    H2/2.0/
    CO2/3.6/
    H2O/12.0/
    LOW/1.66E61 -1.2662E1 7.089E4/                     !! A/1.2 = 1.66E+61/1.2 -12.662 70890
    TROE/6.8E-1 1.0E-6 1.5E3/
C2H5CHO+NO2=C2H5+CO+HONO    1.4E-7 5.64 9.22E3  !analogy ! Xu, Z.F.; Lin, M.C.\Kinetics and Mechanism for the CH2O + NO2 Reaction: A Computational Study 2003\CH2O+NO2=HONO+HCO
CH3CHO+NO2=CH3+CO+HNO2    1.07E-1 4.22 1.985E4   !analogy ! Xu, Z.F.; Lin, M.C.\Kinetics and Mechanism for the CH2O + NO2 Reaction: A Computational Study 2003\CH2O+NO2=HNO2+HCO
C2H5CHO+NO2=C2H5+CO+HNO2    1.07E-1 4.22 1.985E4  !analogy ! Xu, Z.F.; Lin, M.C.\Kinetics and Mechanism for the CH2O + NO2 Reaction: A Computational Study 2003\CH2O+NO2=HNO2+HCO
!C3H5-A+NO2=C3H5O+NO    2.35E13 0.0 0.0               !Slagle, I.R.; Yamada, F.; Gutman, D.(1981), Kinetics of Free Radicals Produced by Infrared Multiphoton-Induced Decompositions. I. Reactions of Allyl Radicals with Nitrogen Dioxide and BromineO
C3H5-A+NO2=C3H5O+NO    2.42E13 -1.55 0.0E0   !Rissanen, M.P. et al., 2013,Gas Phase Kinetics and Equilibrium of Allyl Radical Reactions with NO and NO2
C3H5-A+NO2=CH3CHCO+HNO      2.35E13  0.0  0.0  !Slagle, I.R.; Yamada, F.; Gutman, D., 1981,  Kinetics of Free Radicals Produced by Infrared Multiphoton-Induced Decompositions. I. Reactions of Allyl Radicals with Nitrogen Dioxide and Bromine
!C3H5-A+NO2=C3H5O+NO    2.74E-06 -1.55 0
C3H5-A+NO=C3H5NO    4.28E12 0.0 0.0E0     !Boyd, A.A.; Noziere, B.; Lesclaux, R(1995),Kinetics and thermochemistry of the reversible combination reactions of the allyl and benzyl radicals with NO
C3H5NO=C2H4+HCNO    4.75E8 1.14 2.09225E4   ! analogy to !C3H5O(=)C2H4+HCO
!C3H5-A+NO=C3H5NO    9.7E-36 2.65 0
!    LOW/9.96E-53 2.98  0/
!    TROE/7.49 3.0 6.52 2.64/
!!!!!!!!!!!!
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C3H8+NOX
!----------------------------------------------------------------------------------------------------------------------------------
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C4H10+NOX
!----------------------------------------------------------------------------------------------------------------------------------
C4H10+NO2=PC4H9+HONO    1.32E14 0.0 3.11E4
C4H10+NO2=SC4H9+HONO    2.32E13 0.0 2.81E4
PC4H9O2+NO=PC4H9O+NO2    1.4E12 0.0 -7.15E2
SC4H9O2+NO=SC4H9O+NO2    1.4E12 0.0 -7.15E2
NC3H7CHO+NO2=NC3H7+CO+HONO    1.4E-7 5.64 9.22E3
IC3H7CHO+NO2=IC3H7+CO+HONO    1.4E-7 5.64 9.22E3
NC3H7CHO+NO2=NC3H7+CO+HNO2    1.07E-1 4.22 1.985E4
IC3H7CHO+NO2=IC3H7+CO+HNO2    1.07E-1 4.22 1.985E4
PC4H9+NO2=PC4H9O+NO    4.0E13 -0.2 0.0E0
SC4H9+NO2=SC4H9O+NO    4.0E13 -0.2 0.0E0
PC4H9+HNO=C4H10+NO    1.5E11 0.76 3.48E2
SC4H9+HNO=C4H10+NO    1.5E11 0.76 3.48E2 
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C4H10+NOX
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C5H12+NOX
!----------------------------------------------------------------------------------------------------------------------------------
NC5H12+NO2=C5H11-1+HONO                           +1.32000000E+014 +0.00000000E+000 +3.11000000E+004  
NC5H12+NO2=C5H11-2+HONO                           +2.32000000E+013 +0.00000000E+000 +2.81000000E+004  
NC5H12+NO2=C5H11-3+HONO                           +1.16000000E+013 +0.00000000E+000 +2.81000000E+004  
C5H11O2-1+NO=C5H11O-1+NO2                         +1.40000000E+012 +0.00000000E+000 -7.15000000E+002  
C5H11O2-2+NO=C5H11O-2+NO2                         +1.40000000E+012 +0.00000000E+000 -7.15000000E+002  
C5H11O2-3+NO=C5H11O-3+NO2                         +1.40000000E+012 +0.00000000E+000 -7.15000000E+002  
PC4H9CHO+NO2=PC4H9+CO+HONO                        +1.40000000E-007 +5.64000000E+000 +9.22000000E+003  
PC4H9CHO+NO2=PC4H9+CO+HNO2                        +1.07000000E-001 +4.22000000E+000 +1.98500000E+004  
C5H11-1+NO2=C5H11O-1+NO                           +4.00000000E+013 -2.00000000E-001 +0.00000000E+000  
C5H11-2+NO2=C5H11O-2+NO                           +4.00000000E+013 -2.00000000E-001 +0.00000000E+000  
C5H11-3+NO2=C5H11O-3+NO                           +4.00000000E+013 -2.00000000E-001 +0.00000000E+000  
C5H11-1+HNO<=>NC5H12+NO                           +1.50000000E+011 +7.60000000E-001 +3.49000000E+002  
C5H11-2+HNO<=>NC5H12+NO                           +1.50000000E+011 +7.60000000E-001 +3.49000000E+002  
C5H11-3+HNO<=>NC5H12+NO                           +1.50000000E+011 +7.60000000E-001 +3.49000000E+002  
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C5H12+NOX
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C6H14+NOX
!----------------------------------------------------------------------------------------------------------------------------------
NC6H14+NO2=C6H13-1+HONO                           +1.32000000E+014 +0.00000000E+000 +3.11000000E+004  
NC6H14+NO2=C6H13-2+HONO                           +2.32000000E+013 +0.00000000E+000 +2.81000000E+004  
NC6H14+NO2=C6H13-3+HONO                           +2.32000000E+013 +0.00000000E+000 +2.81000000E+004  
C6H13O2-1+NO=C6H13O-1+NO2                         +1.40000000E+012 +0.00000000E+000 -7.15000000E+002  
C6H13O2-2+NO=C6H13O-2+NO2                         +1.40000000E+012 +0.00000000E+000 -7.15000000E+002  
C6H13O2-3+NO=C6H13O-3+NO2                         +1.40000000E+012 +0.00000000E+000 -7.15000000E+002  
NC5H11CHO+NO2=C5H11-1+CO+HONO                     +1.40000000E-007 +5.64000000E+000 +9.22000000E+003  
NC5H11CHO+NO2=C5H11-1+CO+HNO2                     +1.07000000E-001 +4.22000000E+000 +1.98500000E+004  
C6H13-1+NO2=PC4H9+CH3CHO+NO                       +4.00000000E+013 -2.00000000E-001 +0.00000000E+000  
C6H13-2+NO2=PC4H9+CH3CHO+NO                       +4.00000000E+013 -2.00000000E-001 +0.00000000E+000  
C6H13-3+NO2=PC4H9+CH3CHO+NO                       +4.00000000E+013 -2.00000000E-001 +0.00000000E+000  
C6H13-1+HNO=NC6H14+NO                             +1.40000000E+011 +7.60000000E-001 +3.49000000E+002  
C6H13-2+HNO=NC6H14+NO                             +1.40000000E+011 +7.60000000E-001 +3.49000000E+002  
C6H13-3+HNO=NC6H14+NO                             +1.40000000E+011 +7.60000000E-001 +3.49000000E+002  
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C6H14+NOX
!----------------------------------------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------------------------------------------
!\SUBMECH: C7H16+NOX
!----------------------------------------------------------------------------------------------------------------------------------
NC7H16+NO2=C7H15-1+HONO                           +1.32000000E+014 +0.00000000E+000 +3.11000000E+004  
NC7H16+NO2=C7H15-2+HONO                           +2.32000000E+013 +0.00000000E+000 +2.81000000E+004  
NC7H16+NO2=C7H15-3+HONO                           +2.32000000E+013 +0.00000000E+000 +2.81000000E+004  
NC7H16+NO2=C7H15-4+HONO                           +1.16000000E+013 +0.00000000E+000 +2.81000000E+004  
C7H15-1O2+NO=C7H15-1O+NO2                         +1.40000000E+012 +0.00000000E+000 -7.15000000E+002  
C7H15-2O2+NO=C7H15-2O+NO2                         +1.40000000E+012 +0.00000000E+000 -7.15000000E+002  
C7H15-3O2+NO=C7H15-3O+NO2                         +1.40000000E+012 +0.00000000E+000 -7.15000000E+002  
C7H15-4O2+NO=C7H15-4O+NO2                         +1.40000000E+012 +0.00000000E+000 -7.15000000E+002  
C7H15-1+NO2=C5H11-1+CH3CHO+NO                     +4.00000000E+013 -2.00000000E-001 +0.00000000E+000  
C7H15-2+NO2=C5H11-1+CH3CHO+NO                     +4.00000000E+013 -2.00000000E-001 +0.00000000E+000  
C7H15-3+NO2=C5H11-1+CH3CHO+NO                     +4.00000000E+013 -2.00000000E-001 +0.00000000E+000  
C7H15-4+NO2=C5H11-1+CH3CHO+NO                     +4.00000000E+013 -2.00000000E-001 +0.00000000E+000  
C7H15-1+HNO=NC7H16+NO                             +1.40000000E+011 +7.60000000E-001 +3.49000000E+002  
C7H15-2+HNO=NC7H16+NO                             +1.40000000E+011 +7.60000000E-001 +3.49000000E+002  
C7H15-3+HNO=NC7H16+NO                             +1.40000000E+011 +7.60000000E-001 +3.49000000E+002  
C7H15-4+HNO=NC7H16+NO                             +1.40000000E+011 +7.60000000E-001 +3.49000000E+002  
!----------------------------------------------------------------------------------------------------------------------------------
!\ENDSUBMECH: C7H16+NOX
!----------------------------------------------------------------------------------------------------------------------------------
!++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!\END_KINETICS_MODULE: NOX
!IC8H18 mechanism
 

IC8H18<=>AC8H17+H 5.748E+17 -0.360 1.012E+05
IC8H18<=>BC8H17+H 3.299E+18 -0.721 9.873E+04
IC8H18<=>CC8H17+H 1.146E+19 -0.941 9.543E+04
IC8H18<=>DC8H17+H 1.919E+17 -0.360 1.004E+05

CH3+YC7H15<=>IC8H18	1.63E+13	    0	-5.96E+02
CH3+PC7H15<=>IC8H18	1.93E+14	-0.32	0
TC4H9+IC4H9<=>IC8H18	7.18E+14	-0.75	0!A*2
NEOC5H11+IC3H7<=>IC8H18	7.18E+14	-0.75	0!A*2

!rates of abstraction  omprehensive chemical kinetic modeling of the oxidation of 2-methylalkanes from C7 to C20 
!except abstraction by OH

IC8H18+H<=>AC8H17+H2 19.98E+05 2.54 6.756E+03
IC8H18+H<=>BC8H17+H2 13E+05 2.4 4.471E+03
IC8H18+H<=>CC8H17+H2 6.020E+05 2.400 2.583E+03
IC8H18+H<=>DC8H17+H2 13.32E+05 2.54 6.756E+03

IC8H18+O<=>AC8H17+OH 29.43E+05 2.430 4.750E+03
IC8H18+O<=>BC8H17+OH 5.520E+05 2.450 2.83E+03
IC8H18+O<=>CC8H17+OH 3.830E+05 2.410 1.140E+03
IC8H18+O<=>DC8H17+OH 19.62E+05 2.430 4.750E+03

IC8H18+CH3<=>AC8H17+CH4 13.59E-1 3.65 7.154E+03
IC8H18+CH3<=>BC8H17+CH4 1.51 3.460 5.481E+03
IC8H18+CH3<=>CC8H17+CH4 6.010E-10 6.360 8.930E+02
IC8H18+CH3<=>DC8H17+CH4 9.060E-01 3.650 7.154E+03

IC8H18+HO2<=>AC8H17+H2O2	61.2	3.59	17160
IC8H18+HO2<=>BC8H17+H2O2  	63.2	3.37	13720
IC8H18+HO2<=>CC8H17+H2O2  	433.2	3.01	12090
IC8H18+HO2<=>DC8H17+H2O2   	40.8	3.59	17160

IC8H18+CH3O<=>AC8H17+CH3OH 6.507E+11 0.000 6.458E+03
IC8H18+CH3O<=>BC8H17+CH3OH 1.45E+11 0.000 4.571E+03
IC8H18+CH3O<=>CC8H17+CH3OH 2.290E+10 0.000 2.873E+03
IC8H18+CH3O<=>DC8H17+CH3OH 4.338E+11 0.000 6.458E+03

IC8H18+O2<=>AC8H17+HO2 	9.00E+13	0	52290
IC8H18+O2<=>BC8H17+HO2 	2.00E+13	0	49640
IC8H18+O2<=>CC8H17+HO2 	1.00E+13	0	48200
IC8H18+O2<=>DC8H17+HO2 	6.00E+13	0	52290


IC8H18+C2H5<=>AC8H17+C2H6 15.03E+10 0.000 1.340E+04
IC8H18+C2H5<=>BC8H17+C2H6 5.000E+10 0.000 1.04E+04
IC8H18+C2H5<=>CC8H17+C2H6 1.000E+11 0.000 7.9E+03
IC8H18+C2H5<=>DC8H17+C2H6 1.000E+11 0.000 1.34E+04

IC8H18+C2H3<=>AC8H17+C2H4 1.500E+12 0.000 1.800E+04
IC8H18+C2H3<=>BC8H17+C2H4 4.000E+11 0.000 1.680E+04
IC8H18+C2H3<=>CC8H17+C2H4 2.000E+11 0.000 1.430E+04
IC8H18+C2H3<=>DC8H17+C2H4 1.000E+12 0.000 1.800E+04

IC8H18+CH3O2<=>AC8H17+CH3O2H        2.079   3.97   18280
IC8H18+CH3O2<=>BC8H17+CH3O2H        10.18  3.58   14180
IC8H18+CH3O2<=>CC8H17+CH3O2H        206   3.12   13190
IC8H18+CH3O2<=>DC8H17+CH3O2H        1.386   3.97   18280

!!!
!! OH abstraction for primary sites "Rate Constants for OH with Selected Large Alkanes: Shock-Tube Measurements and an Improved Group Scheme"
!!for secondary and tertiary "Site-specific reaction rate constant measurements for various secondary and tertiary H-abstraction by OH radicals"

IC8H18+OH<=>AC8H17+H2O 	4.93E+07	1.763	743.138
IC8H18+OH<=>BC8H17+H2O 	36.138	        3.5	-2334.725
IC8H18+OH<=>CC8H17+H2O 	2.409E9 	1	-9.935
IC8H18+OH<=>DC8H17+H2O 	3.35E+06	2.078	375.543
			


!!!Beta-scission from radical

XC7H14+CH3<=>AC8H17    6.500E+02 2.500 8.520E+03!A/2

IC4H8+IC4H9<=>AC8H17   1.218E+03   2.48  8.520E+03!A*2 

YC7H14+CH3<=>BC8H17    6.500E+02 2.500 8.520E+03

OC7H14+CH3<=>BC8H17    6.500E+02 2.500 8.520E+03

IC4H8+TC4H9<=>CC8H17   3.045E+02   2.48  6.130E+03 !A/2

PC7H14+CH3<=>DC8H17    6.500E+02 2.500 8.520E+03!A/2

C3H6+NEOC5H11<=>DC8H17 2.000E+02 2.500 8.520E+03!A/2

!!!!

!!

BC8H17<=>IC8H16+H 1.843E+12 0.376 3.524E+04
CC8H17<=>IC8H16+H 8.995E+11 0.596 3.715E+04
CC8H17<=>JC8H16+H 8.637E+14  -0.36 3.990E+04!O
!!!!!!!

CC8H17+O2<=>IC8H16+HO2 3.000E-19 0.000 5.000E+03

CC8H17+O2<=>JC8H16+HO2 1.500E-19 0.000 4.000E+03

DC8H17<=>JC8H16+H 2.968E+13 0.196 3.309E+04!A*2

AC8H17  =  DC8H17  6.950E+10  0.00  1.540E+04!A/2

AC8H17  =  CC8H17  6.416E+11  0.00  2.040E+04

DC8H17+O2<=>JC8H16+HO2 2.000E-18 0.000 5.000E+03





IC8H18+AC8H17O2<=>AC8H17+AC8H17O2H 1.814E+13 0.000 2.043E+04

IC8H18+BC8H17O2<=>AC8H17+BC8H17O2H 1.814E+13 0.000 2.043E+04

IC8H18+CC8H17O2<=>AC8H17+CC8H17O2H 1.814E+13 0.000 2.043E+04

IC8H18+DC8H17O2<=>AC8H17+DC8H17O2H 1.814E+13 0.000 2.043E+04

IC8H18+AC8H17O2<=>BC8H17+AC8H17O2H 4.032E+12 0.000 1.770E+04

IC8H18+BC8H17O2<=>BC8H17+BC8H17O2H 4.032E+12 0.000 1.770E+04

IC8H18+CC8H17O2<=>BC8H17+CC8H17O2H 4.032E+12 0.000 1.770E+04

IC8H18+DC8H17O2<=>BC8H17+DC8H17O2H 4.032E+12 0.000 1.770E+04

IC8H18+AC8H17O2<=>CC8H17+AC8H17O2H 2.000E+12 0.000 1.600E+04

IC8H18+BC8H17O2<=>CC8H17+BC8H17O2H 2.000E+12 0.000 1.600E+04

IC8H18+CC8H17O2<=>CC8H17+CC8H17O2H 2.000E+12 0.000 1.600E+04

IC8H18+DC8H17O2<=>CC8H17+DC8H17O2H 2.000E+12 0.000 1.600E+04

IC8H18+AC8H17O2<=>DC8H17+AC8H17O2H 1.210E+13 0.000 2.043E+04

IC8H18+BC8H17O2<=>DC8H17+BC8H17O2H 1.210E+13 0.000 2.043E+04

IC8H18+CC8H17O2<=>DC8H17+CC8H17O2H 1.210E+13 0.000 2.043E+04

IC8H18+DC8H17O2<=>DC8H17+DC8H17O2H 1.210E+13 0.000 2.043E+04

IC8H18+O2CHO<=>AC8H17+HO2CHO       2.520E+13 0.000 2.044E+04

IC8H18+O2CHO<=>BC8H17+HO2CHO       5.600E+12 0.000 1.769E+04
 
IC8H18+O2CHO<=>CC8H17+HO2CHO       2.800E+12 0.000 1.601E+04

IC8H18+O2CHO<=>DC8H17+HO2CHO       1.680E+13 0.000 2.044E+04

IC8H18+IC4H6OH<=>AC8H17+IC4H7OH    7.050E+02 3.300 1.984E+04

IC8H18+IC4H6OH<=>BC8H17+IC4H7OH    1.568E+02 3.300 1.817E+04

IC8H18+IC4H6OH<=>CC8H17+IC4H7OH    8.440E+01 3.300 1.717E+04
 
IC8H18+IC4H6OH<=>DC8H17+IC4H7OH    4.700E+02 3.300 1.984E+04


!!R+O2=RO2 addition (Miyoushi)

AC8H17+O2 <=>AC8H17O2	1.374E+17	-1.627	198.7!A*2
BC8H17+O2<=> BC8H17O2	3.50E+14	-0.816	-536.5
CC8H17+O2 <=>CC8H17O2	9.76E+11	0.325	-417.27
DC8H17+O2 <=> DC8H17O2	1.373E+17	-1.627	198.7!A*2

  	
AC8H17+AC8H17O2<=>AC8H17O+AC8H17O 7.000E+12 0.000 -1.000E+03

AC8H17+BC8H17O2<=>AC8H17O+BC8H17O 7.000E+12 0.000 -1.000E+03

AC8H17+CC8H17O2<=>AC8H17O+CC8H17O 7.000E+12 0.000 -1.000E+03

AC8H17+DC8H17O2<=>AC8H17O+DC8H17O 7.000E+12 0.000 -1.000E+03

BC8H17+AC8H17O2<=>BC8H17O+AC8H17O 7.000E+12 0.000 -1.000E+03

BC8H17+BC8H17O2<=>BC8H17O+BC8H17O 7.000E+12 0.000 -1.000E+03

BC8H17+CC8H17O2<=>BC8H17O+CC8H17O 7.000E+12 0.000 -1.000E+03

BC8H17+DC8H17O2<=>BC8H17O+DC8H17O 7.000E+12 0.000 -1.000E+03

CC8H17+AC8H17O2<=>CC8H17O+AC8H17O 7.000E+12 0.000 -1.000E+03

CC8H17+BC8H17O2<=>CC8H17O+BC8H17O 7.000E+12 0.000 -1.000E+03

CC8H17+CC8H17O2<=>CC8H17O+CC8H17O 7.000E+12 0.000 -1.000E+03

CC8H17+DC8H17O2<=>CC8H17O+DC8H17O 7.000E+12 0.000 -1.000E+03

DC8H17+AC8H17O2<=>DC8H17O+AC8H17O 7.000E+12 0.000 -1.000E+03

DC8H17+BC8H17O2<=>DC8H17O+BC8H17O 7.000E+12 0.000 -1.000E+03

DC8H17+CC8H17O2<=>DC8H17O+CC8H17O 7.000E+12 0.000 -1.000E+03

DC8H17+DC8H17O2<=>DC8H17O+DC8H17O 7.000E+12 0.000 -1.000E+03







AC8H17+HO2<=>AC8H17O+OH 7.000E+12 0.000 -1.000E+03

BC8H17+HO2<=>BC8H17O+OH 7.000E+12 0.000 -1.000E+03

CC8H17+HO2<=>CC8H17O+OH 7.000E+12 0.000 -1.000E+03

DC8H17+HO2<=>DC8H17O+OH 7.000E+12 0.000 -1.000E+03

AC8H17+CH3O2<=>AC8H17O+CH3O 7.000E+12 0.000 -1.000E+03

BC8H17+CH3O2<=>BC8H17O+CH3O 7.000E+12 0.000 -1.000E+03

CC8H17+CH3O2<=>CC8H17O+CH3O 7.000E+12 0.000 -1.000E+03

DC8H17+CH3O2<=>DC8H17O+CH3O 7.000E+12 0.000 -1.000E+03

AC8H17O2+HO2<=>AC8H17O2H+O2 1.750E+10 0.000 -3.275E+03

BC8H17O2+HO2<=>BC8H17O2H+O2 1.750E+10 0.000 -3.275E+03

CC8H17O2+HO2<=>CC8H17O2H+O2 1.750E+10 0.000 -3.275E+03

DC8H17O2+HO2<=>DC8H17O2H+O2 1.750E+10 0.000 -3.275E+03


H2O2+AC8H17O2<=>HO2+AC8H17O2H 2.400E+12 0.000 1.000E+04

H2O2+BC8H17O2<=>HO2+BC8H17O2H 2.400E+12 0.000 1.000E+04

H2O2+CC8H17O2<=>HO2+CC8H17O2H 2.400E+12 0.000 1.000E+04

H2O2+DC8H17O2<=>HO2+DC8H17O2H 2.400E+12 0.000 1.000E+04


AC8H17O2+CH3O2<=>AC8H17O+CH3O+O2 1.400E+16 -1.610 1.860E+03
REV/ 0.000E+00 0.000 0.000E+00 /
BC8H17O2+CH3O2<=>BC8H17O+CH3O+O2 1.400E+16 -1.610 1.860E+03
REV/ 0.000E+00 0.000 0.000E+00 /
CC8H17O2+CH3O2<=>CC8H17O+CH3O+O2 1.400E+16 -1.610 1.860E+03
REV/ 0.000E+00 0.000 0.000E+00 /
DC8H17O2+CH3O2<=>DC8H17O+CH3O+O2 1.400E+16 -1.610 1.860E+03
REV/ 0.000E+00 0.000 0.000E+00 /
AC8H17O2+AC8H17O2<=>O2+AC8H17O+AC8H17O 1.400E+16 -1.610 1.860E+03
REV/ 0.000E+00 0.000 0.000E+00 /
AC8H17O2+BC8H17O2<=>AC8H17O+BC8H17O+O2 1.400E+16 -1.610 1.860E+03
REV/ 0.000E+00 0.000 0.000E+00 /
AC8H17O2+CC8H17O2<=>AC8H17O+CC8H17O+O2 1.400E+16 -1.610 1.860E+03
REV/ 0.000E+00 0.000 0.000E+00 /
AC8H17O2+DC8H17O2<=>AC8H17O+DC8H17O+O2 1.400E+16 -1.610 1.860E+03
REV/ 0.000E+00 0.000 0.000E+00 /
BC8H17O2+BC8H17O2<=>O2+BC8H17O+BC8H17O 1.400E+16 -1.610 1.860E+03
REV/ 0.000E+00 0.000 0.000E+00 /
BC8H17O2+CC8H17O2<=>BC8H17O+CC8H17O+O2 1.400E+16 -1.610 1.860E+03
REV/ 0.000E+00 0.000 0.000E+00 /
BC8H17O2+DC8H17O2<=>BC8H17O+DC8H17O+O2 1.400E+16 -1.610 1.860E+03
REV/ 0.000E+00 0.000 0.000E+00 /
CC8H17O2+CC8H17O2<=>O2+CC8H17O+CC8H17O 1.400E+16 -1.610 1.860E+03
REV/ 0.000E+00 0.000 0.000E+00 /
CC8H17O2+DC8H17O2<=>CC8H17O+DC8H17O+O2 1.400E+16 -1.610 1.860E+03
REV/ 0.000E+00 0.000 0.000E+00 /
DC8H17O2+DC8H17O2<=>O2+DC8H17O+DC8H17O 1.400E+16 -1.610 1.860E+03
REV/ 0.000E+00 0.000 0.000E+00 /

AC8H17O2H<=>AC8H17O+OH 1.000E+16 0.000 4.16E+04

BC8H17O2H<=>BC8H17O+OH 1.000E+16 0.000 4.16E+04
CC8H17O2H<=>CC8H17O+OH 1.000E+16 0.000 4.16E+04
DC8H17O2H<=>DC8H17O+OH 1.000E+16 0.000 4.16E+04


!!RO decomposition

YC7H15+CH2O<=>AC8H17O	        1.00E+11	0	1.19E+04
TC4H9+IC3H7CHO<=>BC8H17O	1.00E+11	0	1.19E+04
IC3H7+TC4H9CHO<=>BC8H17O	1.00E+11	0	1.19E+04
NEOC5H11+CH3COCH3<=>CC8H17O	1.00E+11	0	1.19E+04
PC7H15+CH2O<=>DC8H17O	        1.00E+11	0	1.19E+04

!!!
!!
!!!RO2=QOOH (isomerisation)
!!
AC8H17O2<=>AC8H16OOH-A  	9.72E+07	1.23	2.15E+04
AC8H17O2<=>AC8H16OOH-B  	9.30E+07	1.11	1.82E+04
AC8H17O2<=>AC8H16OOH-C  	2.02E+07	0.9	1.46E+04
AC8H17O2<=>AC8H16OOH-D  	2.05E+05	1.48	1.97E+04
BC8H17O2<=>BC8H16OOH-A  	1.46E+08	1.23	2.15E+04
BC8H17O2<=>BC8H16OOH-C  	2.52E+07	1.39	2.53E+04
BC8H17O2<=>BC8H16OOH-D  	9.72E+07	1.23	2.15E+04
CC8H17O2<=>CC8H16OOH-A  	3.08E+06	1.48	2.02E+04
CC8H17O2<=>CC8H16OOH-B  	9.56E+07	1.36	2.86E+04
CC8H17O2<=>CC8H16OOH-D  	1.30E+07	1.73	3.20E+04
DC8H17O2<=>DC8H16OOH-A  	3.08E+05	1.48	1.97E+04
DC8H17O2<=>DC8H16OOH-B  	9.30E+07	1.11	1.82E+04
DC8H17O2<=>DC8H16OOH-C  	2.52E+07	1.39	2.53E+04
DC8H17O2<=>DC8H16OOH-D  	4.86E+07	1.23	2.15E+04




!!!!
!!!
!!!!!RO2=HO2+olefin 
!!!
BC8H17O2<=>IC8H16+HO2    	1.30E+11	0.5	    3.00E+04
CC8H17O2<=>IC8H16+HO2 	    3.99E+11    0.80    2.70E+04
CC8H17O2<=>JC8H16+HO2    	2.68E+12    0.50    2.65E+04!A*2
DC8H17O2<=>JC8H16+HO2    	1.30E+11	0.5	    3.00E+04

 
!!
!!!
!!! 
!!!!!!QOOH = OH + cyclic ether (OH eliminataion) (Miyoshi) *2
!!
AC8H16OOH-A<=>IC8ETERAA+OH	7.38E+11	0	16035.09	!4	memb
REV/	0.00E+00	0	0.00E+00	/	
AC8H16OOH-B<=>IC8ETERAB+OH	2.16E+12	0	15300	!4	memb
REV/	0.00E+00	0	0.00E+00	/	
AC8H16OOH-C<=>IC8ETERAC+OH	6.06E+11	0	8703.06	!5	memb
REV/	0.00E+00	0	0.00E+00	/	
AC8H16OOH-D<=>IC8ETERAD+OH	1.50E+11	0	12280	!6	memb
REV/	0.00E+00	0	0.00E+00	/	
BC8H16OOH-C<=>IC8ETERBC+OH	9.22E+12	0	11663.7	!3	memb
REV/	0.00E+00	0	0.00E+00	/	
BC8H16OOH-A<=>IC8ETERAB+OH	6.72E+11	0	13948.74	!4	memb
REV/	0.00E+00	0	0.00E+00	/	
BC8H16OOH-D<=>IC8ETERBD+OH	1.73E+13	0	1.73E+04	!4	memb
REV/	0.00E+00	0	0.00E+00	/	
CC8H16OOH-D<=>IC8ETERCD+OH	1.15E+13	0	1.15E+04	!3	memb
REV/	0.00E+00	0	0.00E+00	/	
CC8H16OOH-B<=>IC8ETERBC+OH	1.54E+13	0	1.07E+04	!3	memb
REV/	0.00E+00	0	0.00E+00	/	
CC8H16OOH-A<=>IC8ETERAC+OH	1.69E+11	0	9.74E+03	!5	memb
REV/	0.00E+00	0	0.00E+00	/	
DC8H16OOH-C<=>IC8ETERCD+OH	2.14E+13	0	1.29E+04	!3	memb
REV/	0.00E+00	0	0.00E+00	/	
DC8H16OOH-D<=>IC8ETERDD+OH	2.47E+12	0	1.92E+04	!4	memb
REV/	0.00E+00	0	0.00E+00	/	
DC8H16OOH-B<=>IC8ETERBD+OH	6.00E+12	0	17863.13	!4	memb
REV/	0.00E+00	0	0.00E+00	/	
DC8H16OOH-A<=>IC8ETERAD+OH	1.50E+10	0	1.23E+04	!6	memb
REV/	0.00E+00	0	0.00E+00	/	



!!!!!!!!
!!!!
!!!!!!!QOOH = HO2 + olefin
!!!
BC8H16OOH-C<=>IC8H16+HO2  	1.22E+11	0.57	1.51E+04
CC8H16OOH-D<=>JC8H16+HO2   	1.22E+11	0.57	1.51E+04
CC8H16OOH-B<=>IC8H16+HO2  	1.22E+11	0.57	1.51E+04
DC8H16OOH-C<=>JC8H16+HO2  	1.22E+11	0.57	1.51E+04

!!!QOOH = beta-scission products

AC8H16OOH-A<=>OH+CH2O+XC7H14  2.74E+13	0.24	29830
REV/ 0.000E+00 0.000 0.000E+00 /
AC8H16OOH-B<=>OH+CH2O+YC7H14 2.74E+13	0.24	29830
REV/ 0.000E+00 0.000 0.000E+00 /
BC8H16OOH-A<=>OH+IC3H7CHO+IC4H8 2.74E+13	0.24	29830
REV/ 0.000E+00 0.000 0.000E+00 /
BC8H16OOH-D<=>OH+TC4H9CHO+C3H6 2.74E+13	0.24	29830
REV/ 0.000E+00 0.000 0.000E+00 /
DC8H16OOH-B<=>OH+CH2O+OC7H14 2.74E+13	0.24	29830
REV/ 0.000E+00 0.000 0.000E+00 /
DC8H16OOH-D<=>OH+CH2O+PC7H14 2.74E+13	0.24	29830
REV/ 0.000E+00 0.000 0.000E+00 /
AC8H16OOH-C<=>IC4H8+IC4H8O2H-T	2.74E+13	0.24	29830
CC8H16OOH-A<=>IC4H8+TC4H8O2H-I	2.74E+13	0.24	29830
AC8H16OOH-A<=>XC7H13OOH-X1+CH3	5.82E+05	2.4	22790
AC8H16OOH-B<=>YC7H13OOH-X1+CH3	5.82E+05	2.4	22790
AC8H16OOH-B<=>OC7H13OOH-N+CH3	5.82E+05	2.4	22790
BC8H16OOH-A<=>XC7H13OOH-Z+CH3	5.82E+05	2.4	22790
BC8H16OOH-D<=>PC7H13OOH-O+CH3	5.82E+05	2.4	22790
DC8H16OOH-B<=>OC7H13OOH-Q+CH3	5.82E+05	2.4	22790
DC8H16OOH-B<=>YC7H13OOH-X2+CH3	5.82E+05	2.4	22790
AC8H16OOH-A<=>IC4H7OOH+TC4H9    5.82E+05	2.4	22790
CC8H16OOH-A<=>XC7H13OOH-Y2+CH3  5.82E+05	2.4	22790
DC8H16OOH-D<=>NEOC5H11+AC3H5OOH 5.82E+05	2.4	22790
AC8H16OOH-D<=>C3H6+NEOC5H10OOH  2.74E+13	0.24	29830

!!!! 
!!!!
!!!!! second O2 addition, same as 1st O2 addition with A/2
!!!!
AC8H16OOH-A+O2  <=>AC8H16OOH-AO2	3.44E+16	-1.627	198.7
AC8H16OOH-B+O2  <=>AC8H16OOH-BO2	1.75E+14	-0.816	-536.5
AC8H16OOH-C+O2 <=>AC8H16OOH-CO2	4.88E+11	0.325	-417.27
AC8H16OOH-D+O2<=>AC8H16OOH-DO2 	3.44E+16	-1.627	198.7
BC8H16OOH-C+O2<=>BC8H16OOH-CO2 	4.88E+11	0.325	-417.27
BC8H16OOH-A+O2<=>BC8H16OOH-AO2  	3.44E+16	-1.627	198.7
BC8H16OOH-D+O2 <=>BC8H16OOH-DO2 	3.44E+16	-1.627	198.7
CC8H16OOH-D+O2 <=>CC8H16OOH-DO2	3.44E+16	-1.627	198.7
CC8H16OOH-B+O2 <=>CC8H16OOH-BO2 	1.75E+14	-0.816	-536.5
CC8H16OOH-A+O2 <=>CC8H16OOH-AO2 	3.44E+16	-1.627	198.7
DC8H16OOH-C+O2 <=>DC8H16OOH-CO2 	4.88E+11	0.325	-417.27
DC8H16OOH-D+O2<=> DC8H16OOH-DO2 	3.44E+16	-1.627	198.7
DC8H16OOH-B+O2<=>DC8H16OOH-BO2 	1.75E+14	-0.816	-536.5
DC8H16OOH-A+O2 <=>  DC8H16OOH-AO2	3.44E+16	-1.627	198.7
	
  	
!O2QOOH=olefins
AC8H16OOH-BO2<=>HO2+XC8OOHA	1.30E+11	0.5	3.00E+04
AC8H16OOH-CO2<=>HO2+YC8OOHA	1.30E+11	0.5	3.00E+04
AC8H16OOH-CO2<=>HO2+XC8OOHA	1.30E+11	0.5	3.00E+04
AC8H16OOH-DO2<=>HO2+YC8OOHA	1.30E+11	0.5	3.00E+04
BC8H16OOH-CO2<=>HO2+YC8OOHB	1.30E+11	0.5	3.00E+04
BC8H16OOH-DO2<=>HO2+YC8OOHB	1.30E+11	0.5	3.00E+04
DC8H16OOH-BO2=HO2+XC8OOHD	1.30E+11	0.5	3.00E+04
DC8H16OOH-CO2=HO2+YC8OOHD	1.30E+11	0.5	3.00E+04
DC8H16OOH-CO2=HO2+XC8OOHD	1.30E+11	0.5	3.00E+04
DC8H16OOH-DO2<=>HO2+YC8OOHD	1.30E+11	0.5	3.00E+04  	
!H-exchange			
AC8H16OOH-BO2<=>BC8H16OOH-AO2	3.22E+09	0	1.37E+04
			
AC8H16OOH-CO2<=>CC8H16OOH-AO2	1.75E+08	0	1.51E+04
			
AC8H16OOH-DO2<=>DC8H16OOH-AO2	9.04E+06	0	1.60E+04
			
BC8H16OOH-CO2<=>CC8H16OOH-BO2	9.06E+09	0	1.16E+04
			
DC8H16OOH-BO2<=>BC8H16OOH-DO2	3.22E+09	0	1.37E+04
			
DC8H16OOH-CO2<=>CC8H16OOH-DO2	3.84E+09	0	1.26E+04

	
  	

!!!
!!!!!OOQOOH = HOOQO + OH (Sharma per C)
AC8H16OOH-AO2<=>IC8KETAA+OH 	2.59E+04	1.9	1.88E+04
AC8H16OOH-BO2<=>IC8KETAB+OH 	5.49E+03	2.4	1.99E+04
AC8H16OOH-CO2<=>IC8KETAC+OH 	5.00E+11	0	24169.868
AC8H16OOH-DO2<=>IC8KETAD+OH	557	        1.8	16600
BC8H16OOH-CO2<=>IC8KETBC+OH 	4.00E+15	0	3.05E+04
BC8H16OOH-AO2<=>IC8KETBA+OH	5.79E+01	2.9	1.70E+04
BC8H16OOH-DO2<=>IC8KETBD+OH 	5.79E+01	2.9	1.70E+04
DC8H16OOH-CO2<=>IC8KETDC+OH 	4.00E+13	0	3.43E+04
DC8H16OOH-DO2<=>IC8KETDD+OH 	2.59E+04	1.9	1.88E+04
DC8H16OOH-BO2<=>IC8KETDB+OH 	5.49E+03	2.4	1.99E+04
DC8H16OOH-AO2<=>IC8KETDA+OH	557          	1.8	16600


!!!
!!!!
!!!!!
IC8ETERAA+OH<=>XC7H14+HCO+H2O 1.250E+12 0.000 0.000E+00
REV/ 0.000E+00 0.000 0.000E+00 /
IC8ETERAB+OH<=>YC7H14+HCO+H2O 1.250E+12 0.000 0.000E+00
REV/ 0.000E+00 0.000 0.000E+00 /
IC8ETERAC+OH<=>IC4H8+TC3H6CHO+H2O 1.250E+12 0.000 0.000E+00
REV/ 0.000E+00 0.000 0.000E+00 /
IC8ETERAD+OH<=>C3H6+TC4H8CHO+H2O 1.250E+12 0.000 0.000E+00
REV/ 0.000E+00 0.000 0.000E+00 /
IC8ETERBC+OH<=>IC3H5CHO+TC4H9+H2O 1.250E+12 0.000 0.000E+00
REV/ 0.000E+00 0.000 0.000E+00 /
IC8ETERBD+OH<=>OC7H14+HCO+H2O 1.250E+12 0.000 0.000E+00
REV/ 0.000E+00 0.000 0.000E+00 /
IC8ETERCD+OH<=>IC3H5CHO+TC4H9+H2O 1.250E+12 0.000 0.000E+00
REV/ 0.000E+00 0.000 0.000E+00 /
IC8ETERDD+OH<=>C2H3CHO+NEOC5H11+H2O 1.250E+12 0.000 0.000E+00
REV/ 0.000E+00 0.000 0.000E+00 /
IC8ETERAA+OH<=>IC3H5CHO+IC4H9+H2O 1.250E+12 0.000 0.000E+00
REV/ 0.000E+00 0.000 0.000E+00 /
IC8ETERAB+OH<=>IC4H8+IC3H7CO+H2O 1.250E+12 0.000 0.000E+00
REV/ 0.000E+00 0.000 0.000E+00 /
IC8ETERAC+OH<=>CH2O+YC7H13-Y2+H2O 1.250E+12 0.000 0.000E+00
REV/ 0.000E+00 0.000 0.000E+00 /
IC8ETERAD+OH<=>IC4H8+IC3H6CHO+H2O 1.250E+12 0.000 0.000E+00
REV/ 0.000E+00 0.000 0.000E+00 /
IC8ETERBC+OH<=>IC3H6CO+TC4H9+H2O 1.250E+12 0.000 0.000E+00
REV/ 0.000E+00 0.000 0.000E+00 /
IC8ETERBD+OH<=>C3H6+TC4H9CO+H2O 1.250E+12 0.000 0.000E+00
REV/ 0.000E+00 0.000 0.000E+00 /
!IC8ETERCD+OH<=>CH2O+PC7H13-O+H2O 1.250E+12 0.000 0.000E+00
!REV/ 0.000E+00 0.000 0.000E+00 /
!IC8ETERDD+OH<=>CH2O+PC7H13-O+H2O 1.250E+12 0.000 0.000E+00
!REV/ 0.000E+00 0.000 0.000E+00 /
IC8ETERAA+HO2<=>XC7H14+HCO+H2O2 2.500E+12 0.000 1.770E+04
!REV/ 0.000E+00 0.000 0.000E+00 /
IC8ETERAB+HO2<=>YC7H14+HCO+H2O2 2.500E+12 0.000 1.770E+04
REV/ 0.000E+00 0.000 0.000E+00 /
IC8ETERAC+HO2<=>IC4H8+TC3H6CHO+H2O2 2.500E+12 0.000 1.770E+04
REV/ 0.000E+00 0.000 0.000E+00 /
IC8ETERAD+HO2<=>C3H6+TC4H8CHO+H2O2 2.500E+12 0.000 1.770E+04
REV/ 0.000E+00 0.000 0.000E+00 /
IC8ETERBC+HO2<=>IC3H5CHO+TC4H9+H2O2 2.500E+12 0.000 1.770E+04
REV/ 0.000E+00 0.000 0.000E+00 /
IC8ETERBD+HO2<=>OC7H14+HCO+H2O2 2.500E+12 0.000 1.770E+04
REV/ 0.000E+00 0.000 0.000E+00 /
IC8ETERCD+HO2<=>IC3H5CHO+TC4H9+H2O2 2.500E+12 0.000 1.770E+04
REV/ 0.000E+00 0.000 0.000E+00 /
IC8ETERDD+HO2<=>C2H3CHO+NEOC5H11+H2O2 2.500E+12 0.000 1.770E+04
REV/ 0.000E+00 0.000 0.000E+00 /
IC8ETERAA+HO2<=>IC3H5CHO+IC4H9+H2O2 2.500E+12 0.000 1.770E+04
REV/ 0.000E+00 0.000 0.000E+00 /
IC8ETERAB+HO2<=>IC4H8+IC3H7CO+H2O2 2.500E+12 0.000 1.770E+04
REV/ 0.000E+00 0.000 0.000E+00 /
IC8ETERAC+HO2<=>CH2O+YC7H13-Y2+H2O2 2.500E+12 0.000 1.770E+04
REV/ 0.000E+00 0.000 0.000E+00 /
IC8ETERAD+HO2<=>IC4H8+IC3H6CHO+H2O2 2.500E+12 0.000 1.770E+04
REV/ 0.000E+00 0.000 0.000E+00 /
IC8ETERBC+HO2<=>IC3H6CO+TC4H9+H2O2 2.500E+12 0.000 1.770E+04
REV/ 0.000E+00 0.000 0.000E+00 /
IC8ETERBD+HO2<=>C3H6+TC4H9CO+H2O2 2.500E+12 0.000 1.770E+04
REV/ 0.000E+00 0.000 0.000E+00 /
!IC8ETERCD+HO2<=>CH2O+PC7H13-O+H2O2 2.500E+12 0.000 1.770E+04
!REV/ 0.000E+00 0.000 0.000E+00 /
!IC8ETERDD+HO2<=>CH2O+PC7H13-O+H2O2 2.500E+12 0.000 1.770E+04
!REV/ 0.000E+00 0.000 0.000E+00 /

IC8KETAA<=>CH2O+DC6H12CHO-D+OH   1.000E+16 0.000 4.16E+04
REV/ 0.000E+00 0.000 0.000E+00 /
IC8KETAB<=>IC3H7CHO+TC3H6CHO+OH  1.000E+16 0.000 4.16E+04
REV/ 0.000E+00 0.000 0.000E+00 /
IC8KETAC<=>CH3COCH3+TC4H8CHO+OH  1.000E+16 0.000 4.16E+04
REV/ 0.000E+00 0.000 0.000E+00 /
IC8KETAD<=>CH2O+DC6H12CHO-B+OH   1.000E+16 0.000 4.16E+04
REV/ 0.000E+00 0.000 0.000E+00 /
IC8KETBC<=>CH3COCH3+TC4H9CO+OH   1.000E+16 0.000 4.16E+04
REV/ 0.000E+00 0.000 0.000E+00 /
IC8KETBA<=>CH2O+IC3H7COC3H6-T+OH 1.000E+16 0.000 4.16E+04
REV/ 0.000E+00 0.000 0.000E+00 /
IC8KETBD<=>CH2O+TC4H9COC2H4S+OH  1.000E+16 0.000 4.16E+04
REV/ 0.000E+00 0.000 0.000E+00 /
IC8KETDC<=>NEOC5H11COCH3+HCO+OH  1.000E+16 0.000 4.16E+04
REV/ 0.000E+00 0.000 0.000E+00 /
IC8KETDD<=>CH2O+HC6H12CHO+OH     1.000E+16 0.000 4.16E+04
REV/ 0.000E+00 0.000 0.000E+00 /
IC8KETDB<=>TC4H9CHO+CH3CHCHO+OH  1.000E+16 0.000 4.16E+04
REV/ 0.000E+00 0.000 0.000E+00 /
IC8KETDA<=>BC6H12CHO-D+CH2O+OH   1.000E+16 0.000 4.16E+04
REV/ 0.000E+00 0.000 0.000E+00 /

CC8H16OH-B<=>IC8H16+OH 5.836E+16 -1.010 3.540E+04

BC8H16OH-C<=>IC8H16+OH 6.328E+15 -0.800 3.488E+04

CC8H16OH-D<=>JC8H16+OH 8.350E+17 -1.260 3.255E+04

DC8H16OH-C<=>JC8H16+OH 1.028E+14 -0.360 2.995E+04






!!! DIB mechanism
! DIISOBUTYLENE REACTIONS:
!INITIATION REACTIONS:
!JC8H16 = IC4H8 + IC4H8   4.00E+12  0.00  5.74E+04 !TSANG, 1978. RETRO-ENE REACTION, TOUCHARD, FORNET, GLAUDE ET AL., 30TH COMBUSTION SYMPOSIUM, CHICAGO; RICHARD, SCACCHI,
                                                  ! BACK IJCK 10 (1978) 819-829
! NO RETRO-ENE RXNS FOUND FOR IC8H16
!TC4H9 + IC4H7 = JC8H16   1.02E+14 -0.32  131.0    !ANALOGY WITH AC3H5+CH3=1C4H8 FROM TSANG, W., PROPENE, J PHYS. CHEM. REF. DATA, 20, P. 221-273 (1991). 
                                                  !(CH3+CH3 AND AC3H5+AC3H5 AND GEOMETRIC MEAN RULE), UNCERNTAINTY 1.5
!XC7H13-Y2 + CH3 = JC8H16 1.63E+13  0.0  -596.0    ! ANALOGY TO CH3+TC4H9=NEOC5H12, TSANG, ISOBUTANE, JPCRD 19:1-68 (1990)
!JC8H15-B + H = JC8H16    1.00E+14  0.0     0.0    !TSANG, W., PROPENE, J PHYS. CHEM. REF. DATA, 20, P. 221-273 (1991). (TOTAL RATE OF H+AC3H5 TO C3H6 
                                                  ! AND TO CH3+C2H3).  UNCERTAINITY FACTOR OF 3.   MULTIPLY BY 1/2 SINCE THIS IS ONE OF 2 CHANNELS.
!JC8H15-D + H  = JC8H16   1.00E+14  0.0     0.0    !TSANG, W., PROPENE, J PHYS. CHEM. REF. DATA, 20, P. 221-273 (1991). (TOTAL RATE OF H+AC3H5 TO C3H6 
                                                  ! AND TO CH3+C2H3).  UNCERTAINITY FACTOR OF 3.   MULTIPLY BY 1/2 SINCE THIS IS ONE OF 2 CHANNELS.
! YC7H13-Y2 + CH3 = IC8H16 1.02E+14 -0.32  131.0    !TSANG, W. J PHYS. CHEM. REF. DATA, 20, P. 221-273 (1991).
!CHEMASTER, INPUT FILE JC8H16_A.INP, 8/29/2005
! JC8H16     = TC4H9+IC4H7          8.36E+101  -24.98   114143.     !  1.00E+00 ATM,  900-2000 K,   4% ERR
 JC8H16     = TC4H9+IC4H7          2.26E+92  -21.99   109815.     !  4.00E+00 ATM,  900-2000 K,   7% ERR  A*2
! JC8H16     = TC4H9+IC4H7          7.46E+83  -19.57   105613.     !  1.00E+01 ATM,  900-2000 K,   8% ERR
! JC8H16     = TC4H9+IC4H7          9.14E+79  -18.42   103497.     !  1.50E+01 ATM,  900-2000 K,   9% ERR
! JC8H16     = TC4H9+IC4H7          9.18E+72  -16.38    99576.     !  3.00E+01 ATM,  900-2000 K,   9% ERR
! JC8H16     = TC4H9+IC4H7          2.38E+60  -12.72    92194.     !  1.00E+02 ATM,  900-2000 K,   9% ERR
! JC8H16     = XC7H13-Y2+CH3        2.35E+116  -29.10   137020.     !  1.00E+00 ATM,  900-2000 K,   3% ERR
 JC8H16     = XC7H13-Y2+CH3        2.13E+108  -26.53   135011.     !  4.00E+00 ATM,  900-2000 K,   4% ERR
! JC8H16     = XC7H13-Y2+CH3        3.94E+100  -24.17   131855.     !  1.00E+01 ATM,  900-2000 K,   6% ERR
! JC8H16     = XC7H13-Y2+CH3        4.52E+96  -22.99   130039.     !  1.50E+01 ATM,  900-2000 K,   7% ERR
! JC8H16     = XC7H13-Y2+CH3        1.71E+89  -20.78   126352.     !  3.00E+01 ATM,  900-2000 K,   8% ERR
! JC8H16     = XC7H13-Y2+CH3        4.65E+74  -16.50   118422.     !  1.00E+02 ATM,  900-2000 K,  10% ERR
! JC8H16     = JC8H15-B+H           1.53E+101  -25.51   132165.     !  1.00E+00 ATM,  900-2000 K,   3% ERR
 JC8H16     = JC8H15-B+H           3.52E+92  -22.80   129512.     !  4.00E+00 ATM,  900-2000 K,   5% ERR
! JC8H16     = JC8H15-B+H           3.69E+84  -20.38   126009.     !  1.00E+01 ATM,  900-2000 K,   7% ERR
! JC8H16     = JC8H15-B+H           3.67E+80  -19.19   124071.     !  1.50E+01 ATM,  900-2000 K,   7% ERR
! JC8H16     = JC8H15-B+H           1.33E+73  -16.98   120237.     !  3.00E+01 ATM,  900-2000 K,   9% ERR
! JC8H16     = JC8H15-B+H           6.95E+58  -12.80   112291.     !  1.00E+02 ATM,  900-2000 K,  10% ERR
! JC8H16     = JC8H15-D+H           4.99E+102  -25.74   135150.     !  1.00E+00 ATM,  900-2000 K,   3% ERR
 JC8H16     = JC8H15-D+H           2.58E+94  -23.12   132883.     !  4.00E+00 ATM,  900-2000 K,   4% ERR
! JC8H16     = JC8H15-D+H           3.75E+86  -20.73   129585.     !  1.00E+01 ATM,  900-2000 K,   6% ERR
! JC8H16     = JC8H15-D+H           4.02E+82  -19.54   127719.     !  1.50E+01 ATM,  900-2000 K,   7% ERR
! JC8H16     = JC8H15-D+H           1.47E+75  -17.34   123967.     !  3.00E+01 ATM,  900-2000 K,   9% ERR
! JC8H16     = JC8H15-D+H           4.99E+60  -13.09   116020.     !  1.00E+02 ATM,  900-2000 K,  10% ERR
! JC8H16     = IC4H8+IC4H8          4.19E+34   -7.06    57683.     !  1.00E+00 ATM,  900-2000 K,   6% ERR
 JC8H16     = IC4H8+IC4H8          3.96E+27   -5.02    53633.     !  4.00E+00 ATM,  900-2000 K,   7% ERR
! JC8H16     = IC4H8+IC4H8          5.35E+22   -3.61    50714.     !  1.00E+01 ATM,  900-2000 K,   7% ERR
! JC8H16     = IC4H8+IC4H8          3.94E+20   -2.99    49416.     !  1.50E+01 ATM,  900-2000 K,   6% ERR
! JC8H16     = IC4H8+IC4H8          1.09E+17   -1.97    47224.     !  3.00E+01 ATM,  900-2000 K,   6% ERR
! JC8H16     = IC4H8+IC4H8          2.28E+11   -0.34    43670.     !  1.00E+02 ATM,  900-2000 K,   4% ERR
!CHEMASTER, INPUT FILE IC8H16_J.INP, 2/19/2005
!IC8H16    =   YC7H13-Y2+CH3   1.73E+82  -19.27   108945. !  1.00E+00 ATM,  900-2000 K,  11% ERR
IC8H16    =   YC7H13-Y2+CH3   1.410E+67  -14.79   100101. !  4.00E+00 ATM,  900-2000 K,  11% ERR A*2
!IC8H16    =   YC7H13-Y2+CH3   3.09E+56  -11.79    93882. !  1.00E+01 ATM,  900-2000 K,  10% ERR
!IC8H16    =   YC7H13-Y2+CH3   1.06E+52  -10.51    91151. !  1.50E+01 ATM,  900-2000 K,   9% ERR
!IC8H16    =   YC7H13-Y2+CH3   6.09E+44   -8.42    86668. !  3.00E+01 ATM,  900-2000 K,   8% ERR
! IC8H15-D=JC8H15-B BECAUSE THEY ARE RESONANT STRUCTURES
! JC8H15-B + H = IC8H16    1.00E+14  0.0     0.0    !TSANG, W., PROPENE, J PHYS. CHEM. REF. DATA, 20, P. 221-273 (1991). (TOTAL RATE OF H+AC3H5 TO C3H6 
                                                  ! AND TO CH3+C2H3).  UNCERTAINITY FACTOR OF 3.   MULTIPLY BY 1/2 SINCE THIS IS ONE OF 2 CHANNELS.
!IC8H16    =   JC8H15-B+H   5.70E+85  -20.57   127376. !  1.00E+00 ATM,  900-2000 K,  10% ERR 
IC8H16    =   JC8H15-B+H   8.34E+68  -15.63   118186. !  4.00E+00 ATM,  900-2000 K,  12% ERR 
!IC8H16    =   JC8H15-B+H   8.60E+56  -12.14   111208. !  1.00E+01 ATM,  900-2000 K,  11% ERR 
!IC8H16    =   JC8H15-B+H   3.95E+51  -10.60   108019. !  1.50E+01 ATM,  900-2000 K,  11% ERR 
!IC8H16    =   JC8H15-B+H   5.20E+42   -8.03   102622. !  3.00E+01 ATM,  900-2000 K,   9% ERR 
!IC8H16    =   JC8H15-B+H   1.03E+27   -3.52    92807. !  1.00E+02 ATM,  900-2000 K,   4% ERR 
! BREAKING OF PRIMARY C-H BONDS IS NEGLECTED.
! DIB REACTION WITH O2:
JC8H16 + O2 = JC8H15-B + HO2 6.20E+08 1.301 38339.0  ! 2/3 OF ISOBUT+O2 (CHEN&BOZ JPC A 2000,104,P9715).  EA REDUCED BY 2.6 KCAL (DIFFERENCE BETWEEN 
!                                                     ALLYLIC PRIMARY AND ALLYLIC SECONDARY, 
JC8H16 + O2 = JC8H15-D + HO2 9.30E+08 1.301 40939.0  ! 1/2 OF ISOBUT+O2, CHEN&BOZ JPC A 2000,104,P9715
IC8H16 + O2 = JC8H15-B + HO2 1.86E+09 1.301 40939.0  ! ANALOGY WITH ISOBUT+O2, CHEN&BOZ JPC A 2000,104,P9715
! ABSTRACTION REACTIONS:                
JC8H16 + OH = JC8H15-A + H2O 1.315E+07 1.80   278.2   !A/2 ASSUME RATE RULE FOR ISO-OCTANE, CURRAN ET AL. COMB FLAME 129:253-280(2002)
JC8H16 + OH = JC8H15-B + H2O 1.585E+06 2.00 -1434.0   !A/2 RATE RULE FOR SECONDARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, 
!                                                       IJCK 34:666-677 2002). ESTIMATED UNCERTAINTY FACTOR = 1.5
JC8H16 + OH = JC8H15-D + H2O 1.500E+6 2.00  -239.0   !A/2 RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, IJCK 34:666-677 2002). 
!                                                       ESTIMATED UNCERTAINTY FACTOR = 1.5
IC8H16 + OH = IC8H15-A + H2O 5.26E+07 1.80  278.2    !A*2 ASSUME RATE RULE FOR ISO-OCTANE, CURRAN ET AL. COMB FLAME 129:253-280(2002)
IC8H16 + OH = JC8H15-B + H2O 1.20E+07 2.00 -239.0    !A*2 RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, IJCK 34:666-677 2002).  
!                                                       ESTIMATED UNCERTAINTY=1.5
!             
JC8H16 + H = JC8H15-A + H2 3.67E+05 2.77  8147.0   !A/2 ASSUME RATE RULE FOR ISO-OCTANE, CURRAN ET AL. COMB FLAME 129:253-280(2002)
JC8H16 + H = JC8H15-B + H2 1.25E+04 2.50 -1912.0   !A/2 RATE RULE FOR SECONDARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, IJCK 34:666-677 2002). 
!                                                     ESTIMATED UNCERTAINTY FACTOR = 1.5
JC8H16 + H = JC8H15-D + H2 9.15E+04 2.50 2390.1   !A/2 RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, IJCK 34:666-677 2002). 
!                                                   RATE RULE FROM TSANG 1991. ESTIMATED UNCERTAINTY FACTOR = 1.5
IC8H16 + H = IC8H15-A + H2 7.34E+05 2.77 8147.0   ! ASSUME RATE RULE FOR ISO-OCTANE, CURRAN ET AL. COMB FLAME 129:253-280(2002)
IC8H16 + H = JC8H15-B + H2 3.79E+05 2.50 2390.1   ! RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, IJCK 34:666-677 2002). 
!                                                   RATE RULE FROM TSANG 1991. ESTIMATED UNCERTAINTY FACTOR = 1.5
!             
JC8H16 + HO2 = JC8H15-A + H2O2 8.10E+04 2.50 16690.8   ! RATE RULE FOR PRIMARY C3 AND C4 ALKANES IN SCOTT AND WALKER, ADDITION OF TOLUENE, COMBUSTION AND 
!                                                         FLAME 129:365 377 (2002).  THIS RATE RULE AGREES REASONABLY WITH RULE IN CURRAN ET AL. 
!                                                         COMB FLAME 129:253-280(2002).
JC8H16 + HO2 = JC8H15-B + H2O2 1.36E+04 2.50 10113.8   !A*2 RATE RULE FOR SECONARY ALLYLIC H, SCOTT AND WALKER, ADDITION OF TOLUENE, 
!                                                         COMBUSTION AND FLAME 129:365 377 (2002).  ESTIMATED BASED ON ETHYLBENZENE+HO2
JC8H16 + HO2 = JC8H15-D + H2O2 1.02E+04 2.50 12339.3   ! RATE RULE FOR PRIMARY ALLYLIC H, SCOTT AND WALKER, ADDITION OF TOLUENE, 
!                                                         COMBUSTION AND FLAME 129:365 377 (2002).  BASED ON TOLUENE+HO2
IC8H16 + HO2 = IC8H15-A + H2O2 8.10E+04 2.50 16690.8   ! RATE RULE FOR PRIMARY C3 AND C4 ALKANES IN SCOTT AND WALKER, ADDITION OF TOLUENE, 
!                                                         COMBUSTION AND FLAME 129:365 377 (2002).  THIS RATE RULE AGREES REASONABLY WITH RULE IN 
!                                                         CURRAN ET AL. COMB FLAME 129:253-280(2002)
IC8H16 + HO2 = JC8H15-B + H2O2 2.04E+04 2.50 12339.3   ! RATE RULE FOR PRIMARY ALLYLIC H, SCOTT AND WALKER, ADDITION OF TOLUENE, COMBUSTION AND FLAME 
!                                                         129:365 377 (2002).  BASED ON TOLUENE+HO2           
JC8H16 + CH3 = JC8H15-A + CH4 4.26E-14 8.06 4154.0   ! ASSUME RATE RULE FOR ISO-OCTANE, CURRAN ET AL. COMB FLAME 129:253-280(2002)
JC8H16 + CH3 = JC8H15-B + CH4 1.00E-01 3.50 4046.1   ! WJP: USED PRIMARY RATE RULE FROM ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, 
!                                                        IJCK 34:666-677 2002). LOWERED EA BY 0.65(BD PRIMARY ALLYLLIC - SECONDARY ALLYLLIC). 
!                                                        0.65 IS FOR CH3 ABSTRACTIONS REACTIONS FROM DEAN AND BOZZELLI COMBUSTION CHEMISTRY OF NITROGEN, 1997.
!                                                        ESTIMATED UNCERTAINTY FACTOR = 3
! fix error in A-factor from Table 1 in Heyberger IJCK 2002
JC8H16 + CH3 = JC8H15-D + CH4 1.110E+01 3.50 5736.1 ! RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, IJCK 34:666-677 2002). 
!JC8H16 + CH3 = JC8H15-D + CH4 1.50E-01 3.50 5736.1 ! RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, IJCK 34:666-677 2002). 
!                                                        RATE RULE FROM TSANG 1991.
IC8H16 + CH3 = IC8H15-A + CH4 4.26E-14 8.06 4154.0   ! ASSUME RATE RULE FOR ISO-OCTANE, CURRAN ET AL. COMB FLAME 129:253-280(2002)
IC8H16 + CH3 = JC8H15-B + CH4 3.01E-01 3.50 5736.1   ! RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, IJCK 34:666-677 2002). 
!                                                        RATE RULE FROM TSANG 1991.            
JC8H16 + CH3O2 = JC8H15-A + CH3O2H 8.10E+04 2.50 16691.0  ! ANALOGY WITH HO2. RATE RULE FOR PRIMARY C3 AND C4 ALKANES IN SCOTT AND WALKER, ADDITION OF TOLUENE, 
!                                                            COMBUSTION AND FLAME 129:365 377 (2002).  THIS RATE RULE AGREES REASONABLY WITH RULE IN 
!                                                            CURRAN ET AL. COMB FLAME 129:253-280(2002).
JC8H16 + CH3O2 = JC8H15-B + CH3O2H 6.80E+03 2.50 10113.8  ! RATE RULE FOR SECONARY ALLYLIC H, SCOTT AND WALKER, ADDITION OF TOLUENE, 
!                                                            COMBUSTION AND FLAME 129:365 377 (2002).  ESTIMATED BASED ON ETHYLBENZENE+HO2
JC8H16 + CH3O2 = JC8H15-D + CH3O2H 1.02E+04 2.50 12339.3  ! RATE RULE FOR PRIMARY ALLYLIC H, SCOTT AND WALKER, ADDITION OF TOLUENE, 
!                                                            COMBUSTION AND FLAME 129:365 377 (2002).  BASED ON TOLUENE+HO2
IC8H16 + CH3O2 = IC8H15-A + CH3O2H 8.10E+04 2.50 16690.8  ! ANALOGY WITH HO2. RATE RULE FOR PRIMARY C3 AND C4 ALKANES IN SCOTT AND WALKER, ADDITION OF TOLUENE, 
!                                                            COMBUSTION AND FLAME 129:365 377 (2002).  THIS RATE RULE AGREES REASONABLY WITH RULE IN 
!                                                            CURRAN ET AL. COMB FLAME 129:253-280(2002)
IC8H16 + CH3O2 = JC8H15-B + CH3O2H 2.04E+04 2.50 12339.3  ! RATE RULE FOR PRIMARY ALLYLIC H, SCOTT AND WALKER, ADDITION OF TOLUENE, 
!                                                            COMBUSTION AND FLAME 129:365 377 (2002).  BASED ON TOLUENE+HO2
!             
JC8H16 + CH3O = JC8H15-A + CH3OH 4.74E+11 0.00 7000.0 ! ASSUME RATE RULE FOR ISO-OCTANE, CURRAN ET AL. COMB FLAME 129:253-280(2002).
JC8H16 + CH3O = JC8H15-B + CH3OH 4.23E+10 0.00 2400.0  ! USED SECONDARY ALKYL H RATE.   REDUCE EA BY DIFFERENCE BETWEEN BD FOR SECONARY ALKYL AND SECONDARY 
!                                                         ALLYLIC WITH F=.2: 0.2(98.4-85.6)=.2*12.8=2.6  EST. F IS LARGER THAN OH WHICH IS 0.1.  
!                                                         REDUCED A FACTOR BY 2.6 FOR TYING UP ROTOR (USED SCOTT AND WALKERS, C&F2002 A-FACTORS TO GET 2.6)
JC8H16 + CH3O = JC8H15-D + CH3OH 6.35E+10 0.00 3000.0 ! USED SECONDARY ALKYL H RATE.   REDUCED EA BY DIFFERENCE BETWEEN BD FOR SECONARY ALKYL AND PRIMARY 
!                                                         ALLYLIC WITH F=.2: 0.2(98.4-88.2)=.2*10.2=2.0  EST. F IS LARGER THAN OH WHICH IS 0.1.  REDUCED A-FACTOR 
!                                                         BY 2.6 FOR TYING UP ROTOR (USED SCOTT AND WALKERS, C&F2002 A-FACTORS TO GET 2.6)
IC8H16 + CH3O = IC8H15-A + CH3OH 4.74E+11 0.00 7000.0 ! ASSUME RATE RULE FOR ISO-OCTANE, CURRAN ET AL. COMB FLAME 129:253-280(2002).
IC8H16 + CH3O = JC8H15-B + CH3OH 1.27E+11 0.00 3000.0  ! USED SECONDARY ALKYL H RATE.   REDUCED EA BY DIFFERENCE BETWEEN BD FOR SECONARY ALKYL AND PRIMARY 
!                                                         ALLYLIC WITH F=.2: 0.2(98.4-88.2)=.2*10.2=2.0  EST. F IS LARGER THAN OH WHICH IS 0.1.  
!                                                         REDUCED A FACTOR BY 2.6 FOR TYING UP ROTOR (USED SCOTT AND WALKERS, C&F2002 A-FACTORS TO GET 2.6)
!             
JC8H16 + C2H3 = JC8H15-A + C2H4 1.50E+12 0.00 18000.0 ! ASSUME RATE RULE FOR ISO-OCTANE, CURRAN ET AL. COMB FLAME 129:253-280(2002).
JC8H16 + C2H3 = JC8H15-B + C2H4 1.48E+00 3.50 4281.4  ! ANALOGY WITH C3H6+C2H3, TSANG, PROPENE, 1991.  HE USED CH3+PROPANE AND REDUCED THE EA BY 4 KJ. 
!                                                        LOWERED EA FURTHER BY 0.15(BD PRIMARY ALLYLLIC - SECONDARY ALLYLLIC) = .15(88.2-85.6)=.15*2.6=0.4KCAL. 
!                                                        F=.15 IS FOR CH3 (DEAN AND BOZZELLI, 1997).
JC8H16 + C2H3 = JC8H15-D + C2H4 2.22E+00 3.50 4681.4  ! ANALOGY WITH C3H6+C2H3, TSANG, PROPENE, 1991.  HE USED CH3+PROPANE AND REDUCED THE EA BY 4 KJ.
IC8H16 + C2H3 = IC8H15-A + C2H4 1.50E+12 0.00 18000.0 ! ASSUME RATE RULE FOR ISO-OCTANE, CURRAN ET AL. COMB FLAME 129:253-280(2002).
IC8H16 + C2H3 = JC8H15-B + C2H4 4.43E+00 3.50 4681.4  ! ANALOGY WITH C3H6+C2H3, TSANG, PROPENE, 1991.  HE USED CH3+PROPANE AND REDUCED THE EA BY 4 KJ.
!             
JC8H16 + C2H5 = JC8H15-A + C2H6 1.50E+11 0.00 13400.0  ! ASSUME RATE RULE FOR ISO-OCTANE, CURRAN ET AL. COMB FLAME 129:253-280(2002).
JC8H16 + C2H5 = JC8H15-B + C2H6 2.23E+00 3.50 6236.6   ! WJP: USED PRIMARY RATE RULE FROM ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, 
!                                                         IJCK 34:666-677 2002). LOWERED EA BY 0.65(BD PRIMARY ALLYLLIC - SECONDARY ALLYLLIC). 0.65 IS FOR CH3 
!                                                         ABSTRACTIONS REACTIONS FROM DEAN AND BOZZELLI COMBUSTION CHEMISTRY OF NITROGEN, 1997.  
!                                                         ESTIMATED UNCERTAINTY FACTOR = 3
JC8H16 + C2H5 = JC8H15-D + C2H6 6.68E+00 3.50 6636.6  ! RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, IJCK 34:666-677 2002). 
!                                                         RATE RULE FROM TSANG 1991.
IC8H16 + C2H5 = IC8H15-A + C2H6 1.50E+11 0.00 6636.6  ! ASSUME RATE RULE FOR ISO-OCTANE, CURRAN ET AL. COMB FLAME 129:253-280(2002).
IC8H16 + C2H5 = JC8H15-B + C2H6 1.34E+01 3.50 6636.6  ! RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, IJCK 34:666-677 2002). 
!                                                         RATE RULE FROM TSANG 1991.
! RADICAL ADDITION REACTIONS
! CHEMICALLY ACTIVATED:
IC8H16 + H = IC4H8 + TC4H9   1.00E+12 0.0 2.50E+03 ! ASSUMES 10% OF THE REACTION GOES THROUGH CHEMICAL ACTIVATION.
IC8H16 + H = OC7H14 + CH3    1.00E+12 0.0 2.50E+03 ! ASSUMES 10% OF THE REACTION GOES THROUGH CHEMICAL ACTIVATION.
! DIB RADICAL DECOMPOSITION
IC4H8 + IC4H7 = JC8H15-A   2.92E+03 2.36  11860.0   ! ANALOGY WITH CH3+ IC4H8, CURRAN, ALKOXY, 2004. ADD 3.5 KCAL FOR DIFFERENCE BETWEEN ALKYL AND 
!                                                     ALLYL ADDITION TO DOUBLE BOND (11.3-7.8 KCAL) FROM MATHEAU ET AL. IJCK 2003.
DMPD13 + CH3 = JC8H15-B        2.92E+03 2.36  8360.0    ! ANALOGY WITH CH3+ IC4H8, CURRAN, ALKOXY, 2004.  
NEOC5H11 + C3H4-A = JC8H15-D   1.50E+11 0.0  4970.0     ! ANALOGY WITH CH3+AC3H4, TSANG, PYROLYSIS OF 2,4-DIMETHYLHEXENE, IJCK 1973.
DMPD13 + CH3 = IC8H15-A        2.92E+03 2.36  8360.0    ! ANALOGY WITH CH3+ IC4H8, CURRAN, ALKOXY, 2004.
! DIB RADICAL ISOMERIZATION:
JC8H15-A = JC8H15-D  1.10E+13 -0.6  7500.0   ! USED 1,5 H SHIFT (MATHEU, GREEN, AND GRENDA, "REACTIONS THROUGH CYCLOALKYL INTERMEDIATES, IJCK 2003) 
!                                              AND CORRECTED EA FOR ALLYLIC C-H (7.8 KCAL).
IC8H15-A = JC8H15-B  2.20E+13 -0.6  7500.0   ! USED 1,5 H SHIFT (MATHEU, GREEN, AND GRENDA, "REACTIONS THROUGH CYCLOALKYL INTERMEDIATES, IJCK 2003) 
!                                              AND CORRECTED EA FOR ALLYLIC C-H (7.8 KCAL).
! (IC8H15-D=JC8H15-B, THEY ARE RESONANT STRUCTURES.)
! REACTIONS OF DIB RADICALS WITH HO2:
!JC8H15-A + HO2 = JC8H15O-A + OH                        ! NEGLECT, THIS RADICAL DEOMPOSES SO FAST THAT THIS REACTION WILL BE UNIMPORTANT.  
!                                                         THIS WILL ALSO AVOID INTRODUCING A NEW SPECIES.
JC8H15-B + HO2 = JC8H15O-B + OH 3.50E+12 0.0  -1000.0   ! DIVIDE INTO TWO PRODUCT PATHS, ANALOGY TO ALLYL+HO2, C3_31 MECH CURRAN ET AL. 2004.
JC8H15-B + HO2 = IC8H15O-D + OH 3.50E+12 0.0  -1000.0   ! DIVIDE INTO TWO PRODUCT PATHS, ANALOGY TO ALLYL+HO2, C3_31 MECH CURRAN ET AL. 2004.
JC8H15-D + HO2 = JC8H15O-D + OH 7.00E+12 0.0  -1000.0   ! ANALOGY TO ALLYL+HO2, C3_31 MECH CURRAN ET AL. 2004.
! ALKOXY DECOMPOSITION:
IC3H5CHO + TC4H9 = JC8H15O-B       7.49E+22 -2.8  21140.0   ! ANALOGY TO IC3H7+CH2O, CURRAN, ALKOXY, IN PREPARATION, IJCK 2004.
NEOC5H11CCH2 + CH2O = JC8H15O-D   1.50E+11  0.0  10600.0   ! ANALOGY WITH ALLYL+CH2O, FROM C3_31.MECH, CURRAN ET AL. 2004.
TC4H9CHCCH3 + CH2O = IC8H15O-D     1.50E+11  0.0  10600.0   ! ANALOGY WITH ALLYL+CH2O, FROM C3_31.MECH, CURRAN ET AL. 2004.
! C7 VINYL RADICALS + O2:
NEOC5H11CCH2 + O2 = NEOC5H11CO + CH2O 4.34E+12 0.0 0.0   ! ANALOGY WITH C.*CC+O2 FROM SLAGLE, BERNHARDT AND GUTMAN, 22TH SYMPOSIUM, 1989.
TC4H9CHCCH3 + O2 = TC4H9CHO + CH3CO    4.34E+12 0.0 0.0  ! ANALOGY WITH C.*CC+O2 FROM SLAGLE, BERNHARDT AND GUTMAN, 22TH SYMPOSIUM, 1989.
! C7 VINYL DECOMPOSITION:
C3H4-A + TC4H9 = NEOC5H11CCH2   8.80E+03 2.48  6130.0   ! ANALOGY WITH C2H5+C3H6=NEOC5H11, CURRAN, ALKOXY, 2004.
C3H4-P + TC4H9 = TC4H9CHCCH3     1.76E+04 2.48  8130.0   ! ANALOGY WITH C2H5+C3H6=NEOC5H11, CURRAN, ALKOXY, 2004.  INCREASED A-FACTOR BY 2 AND 
!                                                         INCREASED EA BY 2 KCAL BASED ON RADOM ET AL. JPCA 2003.
!  C7H13 DECOMPOSITION:
C3H5-T + IC4H8 = XC7H13-Y2   2.00E+11 0.0   2010.0   ! ANALOGY WITH C2H4+C2H3=1C4H7-4, WEISSMAN AND BENSON, IJCK 1989, EA IS LOWER LIMIT.
DMPD13 + H = YC7H13-Y2      1.06E+12 0.51  1230.0   ! ANALOGY TO H+IC4H8=TC4H9, CURRAN, ALKOXY, 2004.
!
YC7H13-Y2 + HO2 = IC4H7-I1 + CH3COCH3 + OH 7.00E+12 0.0  -1000.0   ! ANALOGY TO ALLYL+HO2, C3_31 MECH CURRAN ET AL. 2004.
YC7H13-Y2 + O = IC4H7-I1 + CH3COCH3        6.03E+13 0.0 0.0        ! ANALOGY WITH IC4H7+O FROM CURRAN ET AL., ISO-OCTANE, 2005, DIB_V1D_IC8_2E.MECH.  
!                                                                   CH3 IS ANOTHER POSSIBLE PRODUCT.
!2,4-DI-METHYL-1,3-PENTADIENE (DMPD):
DMPD13 + OH = DMPD13-B + H2O 6.00E+06 2.0  -239.0   ! RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, 
!                                                     IJCK 34:666-677 2002). ESTIMATED UNCERTAINTY FACTOR = 1.5                           
DMPD13 + OH = DMPD13-E + H2O 1.20E+07 2.0  -239.0   ! A*2RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, IJCK 34:666-677 2002).
!                                                     ESTIMATED UNCERTAINTY=1.5  
DMPD13 + H = DMPD13-B + H2 1.89E+05 2.5  2390.1   ! RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, 
!                                                   IJCK 34:666-677 2002). RATE RULE FROM TSANG 1991. ESTIMATED UNCERTAINTY FACTOR = 1.5
DMPD13 + H = DMPD13-E + H2 3.79E+05 2.5  2390.1   ! RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES,
!                                                   IJCK 34:666-677 2002). RATE RULE FROM TSANG 1991. ESTIMATED UNCERTAINTY FACTOR = 1.5
DMPD13 + HO2 = DMPD13-B + H2O2 1.02E+04 2.5  12339.3   ! RATE RULE FOR PRIMARY ALLYLIC H, SCOTT AND WALKER, ADDITION OF TOLUENE, 
!                                                        COMBUSTION AND FLAME 129:365 377 (2002).  BASED ON TOLUENE+HO2. 
DMPD13 + HO2 = DMPD13-E + H2O2 2.04E+04 2.5  12339.3   ! RATE RULE FOR PRIMARY ALLYLIC H, SCOTT AND WALKER, ADDITION OF TOLUENE, 
!                                                        COMBUSTION AND FLAME 129:365 377 (2002).  BASED ON TOLUENE+HO2. 
DMPD13 + CH3 = DMPD13-B + CH4 1.50E-01 3.5  5736.1   ! RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF 
!                                                      SMALL ALKENES, IJCK 34:666-677 2002). RATE RULE FROM TSANG 1991.   
DMPD13 + CH3 = DMPD13-E + CH4 3.01E-01 3.5  5736.1   ! RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF 
!                                                      SMALL ALKENES, IJCK 34:666-677 2002). RATE RULE FROM TSANG 1991.
! RADICAL ADDITION TO DMPD13
DMPD13 + H = C3H6 + IC4H7-I1 7.30E+29 -4.34  21647.0  !ASSUME 1/2 RATE (TWO CHANNELS) AS C4H6+H = C2H4+C2H3, 97WAN/FRE( 1ATM RATE, BUT 10 ATM RATE IS ONLY 3% DIFFERENT).  
!                                                      WANGS RATE IS ABOUT 5 TIMES MARINOV'S.  USING WANG'S RATE TO SEE IF RXN HAS EFFECT.
DMPD13 + H = IC4H8 + C3H5-T  7.30E+29 -4.34  21647.0   !ASSUME 1/2 RATE (TWO CHANNELS) AS C4H6+H = C2H4+C2H3, 97WAN/FRE( 1ATM RATE, BUT 10 ATM RATE IS ONLY 3% DIFFERENT).  
!                                                      WANGS RATE IS ABOUT 5 TIMES MARINOV'S.  USING WANG'S RATE TO SEE IF RXN HAS EFFECT.
! CONSUMPTION OF DMPD RADICALS:
C3H4-A + IC4H7-I1 = DMPD13-B   2.00E+11 0.0  2010.0   ! ANALOGY WITH C2H4+C2H3=1C4H7-4, WEISSMAN AND BENSON, IJCK 1989, EA IS LOWER LIMIT.
MPT124 + CH3 = DMPD13-E        1.50E+11 0.0  4970.0   ! ANALOGY WITH CH3+AC3H4, TSANG, PYROLYSIS OF 2,4-DIMETHYLHEXENE, IJCK 1973.
!DMPD13-B + O = MPT124 + CH2OH  6.03E+13 0.0 0.0 ! ASSUME SAME PRODUCTS AS E RADICAL TO SEE IF REACTION IS IMPORTANT. 
!CORRECT TREATMENT BELOW
!                                                  ANALOGY WITH IC4H7+O FROM CURRAN ET AL., ISO-OCTANE, 2005, DIB_V1D_IC8_2E.MECH. 
!                                                  ASSUME PRODUCTS EVOLVE AS IC4H7O = IC4H6OH = CH2OH + A-C3H4
!DMPD13-E + O = MPT124 + CH2OH  6.03E+13 0.0 0.0 ! ANALOGY WITH IC4H7+O FROM CURRAN ET AL., ISO-OCTANE, 2005, DIB_V1D_IC8_2E.MECH. 
!                                                      ASSUME PRODUCTS EVOLVE AS IC4H7O = IC4H6OH = CH2OH + A-C3H4
!														MORE COMPLETE DESCRIPTION BELOW
!DMPD13-B + HO2 = MPT124 + CH2OH + OH  7.00E+12 0 -1.00E+03 ! ASSUME SAME PRODUCTS AS E RADICAL TO SEE IF REACTION IS IMPORTANT.  
!CORRECT TREATMENT BELOW
!                                                            ANALOGY WITH IC4H7+HO2 FROM CURRAN ET AL., ISO-OCTANE, 2005, DIB_V1D_IC8_2E.MECH. 
!                                                            ASSUME ALKOXY RADICAL FOLLOWS ROUTE ANALOGOUS WITH  IC4H7O => IC4H6OH => CH2OH + A-C3H4
!DMPD13-E + HO2 = MPT124 + CH2OH + OH  7.00E+12 0 -1.00E+03 ! ANALOGY WITH IC4H7+HO2 FROM CURRAN ET AL., ISO-OCTANE, 2005, DIB_V1D_IC8_2E.MECH.
!                                                            ASSUME ALKOXY RADICAL FOLLOWS ROUTE ANALOGOUS WITH  IC4H7O => IC4H6OH => CH2OH + A-C3H4
!  CONSUMPTION OF MPT124 (4-METHYL-1,2,4-PENTATRIENE OR C*C(C)C*C*C)         
MPT124 + OH  = MPT124J + H2O  3.00E+06 2.0   -239.0   ! RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, IJCK 34:666-677 2002).
!                                                       ESTIMATED UNCERTAINTY FACTOR = 1.5 
MPT124 + H   = MPT124J + H2   1.89E+05 2.5   2390.1   ! RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, IJCK 34:666-677 2002).
!                                                       RATE RULE FROM TSANG 1991. ESTIMATED UNCERTAINTY FACTOR = 1.5  
MPT124 + HO2 = MPT124J + H2O2 1.02E+04 2.5  12339.3   ! RATE RULE FOR PRIMARY ALLYLIC H, SCOTT AND WALKER, ADDITION OF TOLUENE, 
!                                                       COMBUSTION AND FLAME 129:365 377 (2002).  BASED ON TOLUENE+HO2.
MPT124 + CH3 = MPT124J + CH4  1.50E-01 3.5   5736.1   ! RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, IJCK 34:666-677 2002).
!                                                       RATE RULE FROM TSANG 1991.
!  CONSUMPTION OF MPT124J OR C*C(C.)C*C*C
C3H3 + C3H4-A = MPT124J   8.50E+10 0.0  11300.0   ! ALLYL RADICAL TO TERMINAL CARBON, MATHEU, GREEN AND GRENDA, IJCK 35: 95-119 (2003).
!
!ADD REACTIONS TO TREAT OH* AND CH* FROM ERIC PETERSEN, NOV, 2003
! HALL ET AL, WESTERN STATE SECTION OF THE COMBUSTION INSTITUTE, OCTOBER, 2003
! NEW RATE PARAMETERS BY HALL AND PETERSEN, OH*
!
!OH* ***************************************************** (HALL AND PETERSEN)
! OH* FORMATION:
CH+O2=CO+OH*                             4.040E+13      0.0       0.0           
H+O+M=OH*+M                              6.000E+14      0.0   6.94E03
!H+OH+OH=OH*+H2O                         1.450E+15      0.0       0.0
! OH* CONSUMPTION
OH*+AR=OH+AR                             5.200E+10      0.5       0.0
OH*+H2O=OH+H2O                           5.920E+12      0.5   -8.61E2
OH*+CO2=OH+CO2                           2.750E+12      0.5   -9.68E2 !SRI
OH*+CO=OH+CO                             3.230E+12      0.5   -7.87E2 !SRI 
OH*+H=OH+H                               1.500E+12      0.5       0.0
OH*+H2=OH+H2                             2.950E+12      0.5   -4.44E2
OH*+O2=OH+O2                             2.100E+12      0.5   -4.82E2
OH*+O=OH+O                               1.500E+12      0.5       0.0
OH*+OH=OH+OH                             1.500E+12      0.5       0.0
OH*+CH4=OH+CH4                           3.360E+12      0.5   -6.35E2 !SRI
!OH*=OH+HV                                1.400E+06      0.0       0.0
!END OH* *******************************************************
!
!BEGIN CH* ***************************************************** (HALL AND PETERSON)
!CH* FORMATION REACTIONS
C2H+O=CO+CH*                             6.200E+12      0.0       0.0   ! HALL AND PETERSEN: THIS IS THE MOST IMPORTANT CH* FORMATION REACTION
C+H+M=CH*+M                              6.000E+14      0.0    6.94E3   ! HALL AND PETERSEN: NO EFFECT OF THIS RXN AT ALL, EXCEPT MAYBE PYROLYSIS
C2+OH=CO+CH*                             1.110E+13      0.0       0.0   !HALL AND PETERSEN: MIMIMAL EFFECT
!DEVRIENDT, VAN LOOK, CEURSTERS, AND PEETERS, CHEM PHYS LETT. 261 (1996) 450, C2H+O2
C2H+O2=CO2+CH*                           2.170E+10      0.0       0.0   ! HALL AND PETERSEN: MAYBE SOME FORMATION HERE.
!HWANG, GARDINER, FRENKLACH, HIDAKA, COMB. FL. 67, 65-75 (1987) CH*+M=CH+M
CH*+AR=CH+AR                             4.000E+11      0.5       0.0
CH*+H2O=CH+H2O                           5.300E+13      0.0       0.0  !SRI
CH*+CO=CH+CO                             2.440E+12      0.5       0.0  !SRI
CH*+CO2=CH+CO2                           2.410E-01      4.3  -1.694E3  !SRI
CH*+O2=CH+O2                             2.480E+06     2.14   -1.72E3  !SRI
CH*+H2=CH+H2                             1.470E+14      0.0   1.361E3  !SRI
CH*+CH4=CH+CH4                           1.730E+13      0.0    1.67E2  !SRI
! WJP: "HV" BE STATED IN CHEMKIN 3 BUT IT IS NOT USED IN THE CALCS:
!CH*=CH+HV                                1.860E+06      0.0       0.0  !SRI
CH*+N2=CH+N2                             303.0          3.4      -381  !SRI
! COMMENT OUT IF NO N2O:
! CH*+N2O=CH+N2O                           5.300E+13      0.0       0.0
!END CH* MODEL*******************************************************
!
! REACTIONS FORMING C (GRI MECH 3.0)(ADDED BY WJP)
!H+CH=C+H2                              1.650E+14     .000        .00
! REACTIONS CONSUMING C (GRI MECH 3.0)
!C+O2=O+CO                              5.800E+13     .000     576.00
!OH+C=H+CO                              5.000E+13     .000        .00
C+CH2=H+C2H                            5.000E+13     .000        .00
C+CH3=H+C2H2                           5.000E+13     .000        .00
!EXTRA REACTIONS INVOLVING C2 FROM SMITH ET AL. COMB FL 131 (FROM HALL AND PETERSEN)
CH+CH=C2+H2                              5.000E+12      0.0       0.0
C+CH=C2+H                                5.000E+13      0.0       0.0
!END EXTRA REACTIONS FOR C2
!NEW REACTIONS ADDED FOR IC8H16 DECOMPOSITION
DMPD13-E+HO2  =  DMPD13O+OH 7.000E+12 0.00 -1.000E+03 !ANALOGOUS TO IC4H7 REACTIONS
DMPD13O  =  DMBD13-D+CH2O 1.873E+19 -1.7445 23116 !CALCULATED RATE FROM CURRAN  A*2
DMPD13-E+O  =  DMPD13HO+H 6.030E+13 0.00 0.000E+00 !ANALOGOUS TO IC4H7 REACTIONS
DMPD13O  = DMPD13OHE 1.391E+11 0.00 1.560E+04 !ANALOGOUS TO IC4H7 REACTIONS
DMPD13OHE+H2  =  DMPD13OH+H 2.160E+04 2.38 1.899E+04 !ANALOGOUS TO IC4H7 REACTIONS
DMPD13OHE+HO2  =  DMPD13OH+O2 5.570E+13 -0.31 8.620E+02 !ANALOGOUS TO IC4H7 REACTIONS
DMPD13OHE+CH2O  =  DMPD13OH+HCO 6.300E+08 1.90 1.819E+04 !ANALOGOUS TO IC4H7 REACTIONS
DMPD13OHE+IC4H8  =  DMPD13OH+IC4H7 4.700E+02 3.30 1.984E+04 !ANALOGOUS TO IC4H7 REACTIONS
DMPD13OH  =  DMPD13OHE+H 4.902E+16 -0.40 8.985E+04 !ANALOGOUS TO IC4H7 REACTIONS
DMPD13OH+HO2  =  DMPD13OHE+H2O2 7.644E+03 2.71 1.393E+04 !ANALOGOUS TO IC4H7 REACTIONS
DMPD13OHE  =  MPT124+CH2OH 1.055E+20 -1.87 5.618E+04 !ANALOGOUS TO IC4H7 REACTIONS
!DMPD13O FORMING AN ALDEHYDE
DMPD13O  =  DMPD13HO+H 2.315E+15 -0.802 21016.4 !CALCULATED RATE FROM CURRAN A/2
DMPD13O+O2  =  DMPD13HO+HO2 3.000E+10 0.00 1.649E+03 !ANALOGOUS TO IC4H7 REACTIONS
DMPD13O+HO2  =  DMPD13HO+H2O2 3.000E+11 0.00 0.000E+00 !ANALOGOUS TO IC4H7 REACTIONS
DMPD13O+CH3  =  DMPD13HO+CH4 2.400E+13 0.00 0.000E+00 !ANALOGOUS TO IC4H7 REACTIONS
DMPD13O+O  =  DMPD13HO+OH 6.000E+12 0.00 0.000E+00 !ANALOGOUS TO IC4H7 REACTIONS
DMPD13O+OH  =  DMPD13HO+H2O 1.810E+13 0.00 0.000E+00 !ANALOGOUS TO IC4H7 REACTIONS
DMPD13O+H  =  DMPD13HO+H2 1.990E+13 0.00 0.000E+00 !ANALOGOUS TO IC4H7 REACTIONS
DMPD13HO+OH  = DMPD13CO+H2O 2.690E+10 0.76 -3.400E+02 !ANALOGOUS TO IC4H7 REACTIONS
DMPD13HO+HO2  =  DMPD13CO+H2O2 1.000E+12 0.00 1.192E+04 !ANALOGOUS TO IC4H7 REACTIONS
DMPD13HO+CH3  =  DMPD13CO+CH4 3.980E+12 0.00 8.700E+03 !ANALOGOUS TO IC4H7 REACTIONS
DMPD13HO+O  =  DMPD13CO+OH 7.180E+12 0.00 1.389E+03 !ANALOGOUS TO IC4H7 REACTIONS
DMPD13HO+O2  =  DMPD13CO+HO2 2.000E+13 0.00 4.070E+04 !ANALOGOUS TO IC4H7 REACTIONS
DMPD13HO+H  =  DMPD13CO+H2 2.600E+12 0.00 2.600E+03 !ANALOGOUS TO IC4H7 REACTIONS
DMBD13-D+CO  =  DMPD13CO 1.51E+11 0.00 4.81E+03 !CURRAN ESTIMATE FOR C2H5+CO=C2H5CO
DMBD13-D  =  C3H5-T+C3H4-P 9.598E+39  -8.17  4.203E+04 !ANALOGOUS TO C3H5-S  =  C2H2+CH3
!DMPD13-B REACTIONS
DMPD13-B+HO2  =  DMPDBO+OH 7.000E+12 0.00 -1.000E+03 !ANALOGOUS TO IC4H7 REACTIONS
DMPDBO  =  M4PD12-D+CH2O 9.3656E18 -1.7445 23116 !CALCULATED RATE FROM CURRAN
M4PD12-D+HO2  =  M4PD12O+OH 7.000E+12 0.00 -1.000E+03 
M4PD12O  =  C3H3+CH3COCH3 2.028E+12  0.09  2.356E+04 !SAME AS IC3H5O=C2H3+CH2O
M4PD12O  =  PD12CO+CH3 4.865E+14  -0.25  1.524E+04 !SAME RATE AS TC4H9O  =  CH3COCH3+CH3  
PD12CO+OH  =  PD12CO-E+H2O 9.79E+00 3.64 -1.128E+03 !TAKEN FROM ACETONE REACTIONS,RATE DIVIDED BY 2
PD12CO+H  =  PD12CO-E+H2 1.470E+06 2.43 5.160E+03 !TAKEN FROM ACETONE REACTIONS,RATE DIVIDED BY 2
PD12CO+O  =  PD12CO-E+OH 2.5650E+11 0.21 4.890E+03 !TAKEN FROM ACETONE REACTIONS,RATE DIVIDED BY 2
PD12CO+CH3  =  PD12CO-E+CH4 1.980E+11 0.00 9.784E+03 !TAKEN FROM ACETONE REACTIONS,RATE DIVIDED BY 2
PD12CO+CH3O  =  PD12CO-E+CH3OH 2.170E+11 0.00 6.460E+03 !TAKEN FROM ACETONE REACTIONS,RATE DIVIDED BY 2
PD12CO+O2  =  PD12CO-E+HO2 3.015E+13 0.00 4.850E+04 !TAKEN FROM ACETONE REACTIONS,RATE DIVIDED BY 24
PD12CO+HO2  =  PD12CO-E+H2O2 8.500E+12 0.00 2.046E+04 !TAKEN FROM ACETONE REACTIONS,RATE DIVIDED BY 2
PD12CO+CH3O2  =  PD12CO-E+CH3O2H 8.500E+12 0.00 2.046E+04 !TAKEN FROM ACETONE REACTIONS,RATE DIVIDED BY 2
PD12CO-E  =  C3H3+CH2CO 1.000E+14 0.00 3.100E+04 !TAKEN FROM ACETONE REACTION CH3COCH2<=>CH2CO+CH3
!
DMPDBO  =  DMPDBHO + H 4.63E+15 -0.802 21016.4 !CALCULATED RATE FROM CURRAN
DMPDBHO+OH  = DMPDBCO+H2O 2.690E+10 0.76 -3.400E+02 !ANALOGOUS TO IC4H7 REACTIONS
DMPDBHO+HO2  =  DMPDBCO+H2O2 1.000E+12 0.00 1.192E+04 !ANALOGOUS TO IC4H7 REACTIONS
DMPDBHO+CH3  =  DMPDBCO+CH4 3.980E+12 0.00 8.700E+03 !ANALOGOUS TO IC4H7 REACTIONS
DMPDBHO+O  =  DMPDBCO+OH 7.180E+12 0.00 1.389E+03 !ANALOGOUS TO IC4H7 REACTIONS
DMPDBHO+O2  =  DMPDBCO+HO2 2.000E+13 0.00 4.070E+04 !ANALOGOUS TO IC4H7 REACTIONS
DMPDBHO+H  =  DMPDBCO+H2 2.600E+12 0.00 2.600E+03 !ANALOGOUS TO IC4H7 REACTIONS
M4PD12-D+CO  =  DMPDBCO 1.51E+11 0.00 4.81E+03 !CURRAN ESTIMATE FOR C2H5+CO=C2H5CO
!
DMPD13-B+O  =  DMPDBHO+H 6.030E+13 0.00 0.000E+00 !ANALOGOUS TO IC4H7 REACTIONS
!DMBD13-D+O2
DMBD13-D+O2  =  IC3H5CHO+CH3CO 3.710E+25  -3.96  7.043E+03 !C3H5-T+O2 REACTION AND RATE
DMBD13-D+O2  =  MPT124+HO2 1.890E+30  -5.59  1.554E+04 !C3H5-T+O2 REACTION AND RATE
DMBD13-D+O2  =  MP1CO-C+O 7.620E+17  -1.36  5.580E+03 !A*2C3H5-T+O2 REACTION AND RATE
MP1CO-C+HO2  =  MP1OCO+OH 7.000E+12 0.00 -1.000E+03
IC3H5CHO+CH3CO  =  MP1OCO  1E+11 0.00 9.2E+3 !VALUE FROM CURRAN
C(CO)2+C3H5-T  =  MP1OCO 1E+11 0.00 9.2E+3 !VALUE FROM CURRAN
C(CO)2+OH  = C(CO)2-A+H2O 2.690E+10 0.76 -3.400E+02 !ANALOGOUS TO IC4H7 REACTIONS
C(CO)2+HO2  = C(CO)2-A+H2O2 1.000E+12 0.00 1.192E+04 !ANALOGOUS TO IC4H7 REACTIONS
C(CO)2+CH3  =C(CO)2-A+CH4 3.980E+12 0.00 8.700E+03 !ANALOGOUS TO IC4H7 REACTIONS
C(CO)2+O  =  C(CO)2-A+OH 7.180E+12 0.00 1.389E+03 !ANALOGOUS TO IC4H7 REACTIONS
C(CO)2+O2  =  C(CO)2-A+HO2 2.000E+13 0.00 4.070E+04 !ANALOGOUS TO IC4H7 REACTIONS
C(CO)2+H  =  C(CO)2-A+H2 2.600E+12 0.00 2.600E+03 !ANALOGOUS TO IC4H7 REACTIONS
CO+CH3CO  =  C(CO)2-A 1.51E+11 0.00 4.81E+03 !CURRAN ESTIMATE FOR C2H5+CO=C2H5CO
!M4PD13-B+O2
!M4PD13-B+O2  =  M4PE2CO-A+O 3.810E+17  -1.36  5.580E+03 !C3H5-T+O2 REACTION AND RATE
!M4PD13-B+O2  =  COIC4H7+CH2O 3.710E+25  -3.96  7.043E+03 !C3H5-T+O2 REACTION AND RATE
!IC4H7-I1+CO  =  COIC4H7 1.51E+11 0.00 4.81E+03 !CURRAN ESTIMATE FOR C2H5+CO=C2H5CO

!!!!alternative pathway
AC8H16OOH-AO2	=>AC8H15(OOH)AA 	4.86E+07	1.23	2.15E+04
AC8H16OOH-AO2	=>BC8H15(OOH)AA 	9.30E+07	1.11	1.82E+04
AC8H16OOH-AO2	=>CC8H15(OOH)AA 	2.02E+07	0.9	1.46E+04
AC8H16OOH-AO2	=>DC8H15(OOH)AA 	2.05E+05	1.48	1.97E+04
AC8H16OOH-BO2	=>AC8H15(OOH)AB 	9.72E+07	1.23	2.15E+04
AC8H16OOH-BO2	=>CC8H15(OOH)2AB	2.52E+07	1.39	2.53E+04
AC8H16OOH-BO2	=>DC8H15(OOH)AB 	9.72E+07	1.23	2.15E+04
AC8H16OOH-CO2	=>AC8H15(OOH)AC 	2.05E+06	1.48	2.02E+04
AC8H16OOH-CO2	=>BC8H15(OOH)2AC	9.56E+07	1.36	2.86E+04
AC8H16OOH-CO2	=>DC8H15(OOH)2AC	2.60E+07	1.73	3.20E+04
AC8H16OOH-DO2	=>AC8H15(OOH)AD 	2.05E+05	1.48	1.97E+04
AC8H16OOH-DO2	=>BC8H15(OOH)AD 	9.30E+07	1.11	1.82E+04
AC8H16OOH-DO2	=>CC8H15(OOH)2AD	2.52E+07	1.39	2.53E+04
AC8H16OOH-DO2	=>DC8H15(OOH)AD 	4.86E+07	1.23	2.15E+04
BC8H16OOH-AO2	=>AC8H15(OOH)AB 	9.72E+07	1.23	2.15E+04
BC8H16OOH-AO2	=>CC8H15(OOH)2AB	2.02E+07	0.9	1.46E+04
BC8H16OOH-AO2	=>DC8H15(OOH)AB 	2.05E+05	1.48	1.97E+04
BC8H16OOH-CO2	=>AC8H15(OOH)BC 	3.08E+06	1.48	2.02E+04
BC8H16OOH-CO2	=>DC8H15(OOH)2BC	1.30E+07	1.73	3.20E+04
BC8H16OOH-DO2	=>AC8H15(OOH)BD 	3.08E+05	1.48	1.97E+04
BC8H16OOH-DO2	=>CC8H15(OOH)2BD	2.52E+07	1.39	2.53E+04
BC8H16OOH-DO2	=>DC8H15(OOH)BD 	4.86E+07	1.23	2.15E+04
DC8H16OOH-AO2	=>AC8H15(OOH)AD 	9.72E+07	1.23	2.15E+04
DC8H16OOH-AO2	=>BC8H15(OOH)AD 	9.30E+07	1.11	1.82E+04
DC8H16OOH-AO2	=>CC8H15(OOH)2AD	2.02E+07	0.9	1.46E+04
DC8H16OOH-AO2	=>DC8H15(OOH)AD 	1.03E+05	1.48	1.97E+04
DC8H16OOH-BO2	=>AC8H15(OOH)BD 	1.46E+08	1.23	2.15E+04
DC8H16OOH-BO2	=>CC8H15(OOH)2BD	2.52E+07	1.39	2.53E+04
DC8H16OOH-BO2	=>DC8H15(OOH)BD 	4.86E+07	1.23	2.15E+04
DC8H16OOH-CO2	=>AC8H15(OOH)CD 	3.08E+06	1.48	2.02E+04
DC8H16OOH-CO2	=>BC8H15(OOH)2CD	9.56E+07	1.36	2.86E+04
DC8H16OOH-CO2	=>DC8H15(OOH)2CD	6.51E+06	1.73	3.20E+04
DC8H16OOH-DO2	=>AC8H15(OOH)DD 	3.08E+05	1.48	1.97E+04
DC8H16OOH-DO2	=>BC8H15(OOH)DD 	9.3E+07 	1.11	1.82E+04
DC8H16OOH-DO2	=>CC8H15(OOH)2DD	2.52E+07	1.39	2.53E+04
CC8H16OOH-AO2	=>AC8H15(OOH)AC 	9.72E+07	1.23	2.15E+04
CC8H16OOH-AO2	=>BC8H15(OOH)2AC	9.30E+07	1.11	1.82E+04
CC8H16OOH-AO2	<=>DC8H15(OOH)2AC	2.05E+05	1.48	1.97E+04
CC8H16OOH-BO2	=>AC8H15(OOH)BC         1.46E+08	1.23	2.15E+04	
CC8H16OOH-BO2	=>DC8H15(OOH)2BC	9.72E+07	1.23	2.15E+04
CC8H16OOH-DO2	=>BC8H15(OOH)2CD	9.30E+07	1.11	1.82E+04
CC8H16OOH-DO2	<=>DC8H15(OOH)2CD	4.86E+07	1.23	2.15E+04
CC8H16OOH-DO2	<=>AC8H15(OOH)CD	3.08E+05	1.48	1.97E+04




			
CC8H15(OOH)2AB<=>XC8OOHA+HO2	1.22E+11	0.57	1.51E+04
BC8H15(OOH)2AC<=>XC8OOHA+HO2	1.22E+11	0.57	1.51E+04
DC8H15(OOH)2AC<=>YC8OOHA+HO2	1.22E+11	0.57	1.51E+04
CC8H15(OOH)2AD<=>YC8OOHA+HO2	1.22E+11	0.57	1.51E+04
DC8H15(OOH)2BC<=>YC8OOHB+HO2	1.22E+11	0.57	1.51E+04
CC8H15(OOH)2BD<=>YC8OOHB+HO2	1.22E+11	0.57	1.51E+04
CC8H15(OOH)2BD<=>XC8OOHD+HO2	1.22E+11	0.57	1.51E+04
BC8H15(OOH)2CD<=>XC8OOHD+HO2	1.22E+11	0.57	1.51E+04
DC8H15(OOH)2CD<=>YC8OOHD+HO2	1.22E+11	0.57	1.51E+04
CC8H15(OOH)2DD<=>YC8OOHD+HO2	2.44E+11	0.57	1.51E+04


A(OOH)ETRAC<=>OH+CH2O+CH3COCH3+IC4H7	1.00E+16	0	4.16E+04
REV/ 0.000E+00 0.000 0.000E+00 /
C(OOH)ETRAA<=>OH+CH3COCH3+CH2O+IC4H7	1.00E+16	0	4.16E+04
REV/ 0.000E+00 0.000 0.000E+00 /

AC8H15(OOH)AA<=>A(OOH)ETRAA+OH	1.48E+12	0	1.60E+04
BC8H15(OOH)AA<=>A(OOH)ETRAB+OH	4.32E+12	0	1.53E+04
AC8H15(OOH)AB<=>A(OOH)ETRAB+OH	6.72E+11	0	1.39E+04
AC8H15(OOH)AB<=>B(OOH)ETRAA+OH	7.38E+11	0	1.60E+04
DC8H15(OOH)AB<=>B(OOH)ETRAD+OH	1.50E+10	0	1.23E+04
DC8H15(OOH)AB<=>A(OOH)ETRBD+OH	1.73E+13	0	1.71E+04
BC8H15(OOH)AD<=>D(OOH)ETRAB+OH	2.16E+12	0	1.53E+04
BC8H15(OOH)AD<=>A(OOH)ETRBD+OH	6.00E+12	0	1.79E+04
DC8H15(OOH)AD<=>D(OOH)ETRAD+OH	1.50E+10	0	1.23E+04
DC8H15(OOH)AD<=>A(OOH)ETRDD+OH	2.46E+12	0	1.92E+04
DC8H15(OOH)BD<=>D(OOH)ETRBD+OH	1.73E+13	0	1.71E+04
DC8H15(OOH)BD<=>B(OOH)ETRDD+OH	2.46E+12	0	1.92E+04
AC8H15(OOH)AD<=>D(OOH)ETRAA+OH	7.38E+11	0	1.60E+04
AC8H15(OOH)AD<=>A(OOH)ETRAD+OH	1.50E+10	0	1.23E+04
AC8H15(OOH)BD<=>B(OOH)ETRAD+OH	1.50E+10	0	1.23E+04
AC8H15(OOH)BD<=>D(OOH)ETRAB+OH	6.72E+11	0	1.39E+04
BC8H15(OOH)DD<=>D(OOH)ETRBD+OH	1.20E+13	0	1.79E+04
CC8H15(OOH)2AB<=>A(OOH)ETRBC+OH	9.22E+12	0	1.17E+04
CC8H15(OOH)2AB<=>B(OOH)ETRAC+OH	6.06E+11	0	8.70E+03
BC8H15(OOH)2AC<=>A(OOH)ETRBC+OH	1.54E+13	0	1.07E+04
BC8H15(OOH)2AC<=>C(OOH)ETRAB+OH	2.16E+12	0	1.53E+04
DC8H15(OOH)2AC<=>A(OOH)ETRCD+OH	1.15E+13	0	1.15E+04
DC8H15(OOH)2AC<=>C(OOH)ETRAD+OH	1.50E+10	0	1.23E+04
CC8H15(OOH)2AD<=>A(OOH)ETRCD+OH	2.14E+13	0	1.29E+04
CC8H15(OOH)2AD<=>D(OOH)ETRAC+OH	6.06E+11	0	8703.06
DC8H15(OOH)2BC<=>B(OOH)ETRCD+OH	1.15E+13	0	1.15E+04
DC8H15(OOH)2BC<=>C(OOH)ETRBD+OH	1.73E+13	0	1.71E+04
CC8H15(OOH)2BD<=>D(OOH)ETRBC+OH	9.22E+12	0	1.17E+04
CC8H15(OOH)2BD<=>B(OOH)ETRCD+OH	2.14E+13	0	12855.9
BC8H15(OOH)2CD<=>D(OOH)ETRBC+OH	1.54E+13	0	10730
BC8H15(OOH)2CD<=>C(OOH)ETRBD+OH	6.00E+12	0	17863
DC8H15(OOH)2CD<=>C(OOH)ETRDD+OH	2.46E+12	0	19214.3
DC8H15(OOH)2CD<=>D(OOH)ETRCD+OH	1.15E+13	0	11465
CC8H15(OOH)2DD<=>D(OOH)ETRCD+OH	4.28E+13	0	11465
CC8H15(OOH)AA<=>A(OOH)ETRAC+OH	1.21E+12	0	8.70E+03
AC8H15(OOH)AC<=>C(OOH)ETRAA+OH	7.38E+11	0	1.60E+04
AC8H15(OOH)AC<=>A(OOH)ETRAC+OH	1.69E+11	0	9.76E+03
AC8H15(OOH)BC<=>C(OOH)ETRAB+OH	6.72E+11	0	1.40E+04
AC8H15(OOH)BC<=>B(OOH)ETRAC+OH	1.69E+11	0	9.76E+03
AC8H15(OOH)DD<=>D(OOH)ETRAD+OH	3.00E+10	0	1.23E+04
DC8H15(OOH)AA<=>A(OOH)ETRAD+OH	3.00E+10	0	1.23E+04
AC8H15(OOH)CD<=>D(OOH)ETRAC+OH	1.69E+11	0	9.76E+03
AC8H15(OOH)CD<=>C(OOH)ETRAD+OH	1.50E+10	0	1.23E+04






A(OOH)ETRAA<=>OH+2CH2O+IC3H7+C3H4-A	 1.0E+16	0	4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /
A(OOH)ETRAB<=>OH+CH2O+IC3H5CHO+IC3H7     1.0E+16	0	4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /
B(OOH)ETRAA<=>OH+IC3H7CHO+CH2O+C3H5-T	 1.0E+16	0	4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /
B(OOH)ETRAD <=> OH+IC4H8+CH2O+CH2CH2CHO	 1.0E+16	0	4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /
A(OOH)ETRBD<=>OH+CH2O+C3H6+IC4H7O	 1.0E+16	0	4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /
D(OOH)ETRAD<=>OH+2 CH2O+C2H3+IC4H8	 1.0E+16	0	4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /
D(OOH)ETRAD<=>OH+CH2O+CH2CH2CHO+IC4H8	 1.0E+16	0	4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /
A(OOH)ETRDD<=>OH+CH2O+C3H5O+IC4H8	 1.0E+16	0	4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /
D(OOH)ETRBD<=>OH+CH2O+TC4H9+C2H3CHO	 1.0E+16	0	4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /
B(OOH)ETRDD<=>OH+HCO+TC4H9+C3H5O         1.0E+16	0	4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /
D(OOH)ETRAA<=>OH+2CH2O+C3H5-T+C3H6	 1.0E+16	0	4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /
A(OOH)ETRAD<=>OH+2CH2O+C3H6+C3H5-T	 1.0E+16	0	4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /
A(OOH)ETRBC<=>OH+CH2O+CH3COCH3+IC4H7	 1.0E+16 	0	4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /
B(OOH)ETRAC<=>OH+HCO+CH3COCH3+IC4H8      1.0E+16 	0	4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /
C(OOH)ETRAB<=>OH+CH3COCH3+IC4H8+HCO	 1.0E+16	0	4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /
A(OOH)ETRCD<=>OH+CH2O+IC4H8+CH3+CH2CO	 1.0E+16	0	4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /
C(OOH)ETRAD<=>OH+CH2O+CH3+IC4H8+CH2CO	 1.0E+16	0	4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /
D(OOH)ETRAC<=>OH+CH2O+IC4H8+CH3COCH2	 1.0E+16	0	4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /
B(OOH)ETRCD+H<=>OH+H2+CH3COCH3+CO+IC4H8	 1.0E+16	0	4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /
C(OOH)ETRBD+H<=>OH+H2+HCO+CH3COCH2+IC4H8 1.0E+16	0	4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /
D(OOH)ETRBC+H<=>OH+CH2O+CH3+H2+CH2CO+IC4H7 1.0E+16	0	4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /
C(OOH)ETRDD<=>OH+CH2O+CH2CO+CH3+IC4H8	  1.0E+16	0	4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /
D(OOH)ETRCD<=>OH+CH2O+IC4H8+CH2CO+CH3	   1.0E+16	0	4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /
XC8OOHA+2H<=>OH+CH2O+2H2+C3H4-A+IC4H7	   1.0E+16	0	4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /
YC8OOHA<=>OH+CH2O+IC4H8+C3H5-T	           1.0E+16	0	4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /
YC8OOHB+H<=>OH+H2+TC4H9+C3H5-T+CO	   1.0E+16	0	4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /
XC8OOHD<=>OH+CH2O+TC4H9+C3H4-A	           1.0E+16	0	4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /
YC8OOHD<=>OH+CH2O+C3H4-A+TC4H9	           1.0E+16	0	4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /

!3rd O2 addition like 2nd o2

CC8H15(OOH)AA+O2<=>C8(OOH)AA-CO2	2.44E+11	0.325	-417.27
AC8H15(OOH)AC+O2<=>C8(OOH)AC-AO2	1.72E+16	-1.627	198.7
AC8H15(OOH)BC+O2<=>C8(OOH)BC-AO2	1.72E+16	-1.627	198.7
CC8H15(OOH)2AD+O2<=>C8(OOH)AD-CO2	2.44E+11	0.325	-417.27
AC8H15(OOH)CD+O2<=>C8(OOH)CD-AO2	1.72E+16	-1.627	198.7
DC8H15(OOH)AA+O2<=>C8(OOH)AA-DO2	1.72E+16	-1.627	198.7
AC8H15(OOH)AD+O2<=>C8(OOH)AD-AO2	1.72E+16	-1.627	198.7
DC8H15(OOH)AB+O2<=>C8(OOH)AB-DO2	1.72E+16	-1.627	198.7
AC8H15(OOH)BD+O2<=>C8(OOH)BD-AO2	1.72E+16	-1.627	198.7
DC8H15(OOH)AD+O2<=>C8(OOH)AD-DO2	1.72E+16	-1.627	198.7
AC8H15(OOH)DD+O2<=>C8(OOH)DD-AO2	1.72E+16	-1.627	198.7
CC8H15(OOH)2AB+O2<=>C8(OOH)AB-CO2	2.44E+11	0.325	-417.27
BC8H15(OOH)2AC+O2<=>C8(OOH)AC-BO2	8.75E+13	-0.816	-536.5
DC8H15(OOH)2AC+O2<=>C8(OOH)AC-DO2	1.72E+16	-1.627	198.7
DC8H15(OOH)2BC+O2<=>C8(OOH)BC-DO2	1.72E+16	-1.627	198.7
CC8H15(OOH)2BD+O2<=>C8(OOH)BD-CO2	2.44E+11	0.325	-417.27
BC8H15(OOH)2CD+O2<=>C8(OOH)CD-BO2	8.75E+13	-0.816	-536.5
DC8H15(OOH)2CD+O2<=>C8(OOH)CD-DO2	1.72E+16	-1.627	198.7
CC8H15(OOH)2DD+O2<=>C8(OOH)DD-CO2	2.44E+11	0.325	-417.27
AC8H15(OOH)AA+O2<=>C8(OOH)AA-AO2	1.72E+16	-1.627	198.7
BC8H15(OOH)AA+O2<=>C8(OOH)AA-BO2	8.75E+13	-0.816	-536.5
AC8H15(OOH)AB+O2<=>C8(OOH)AB-AO2	1.72E+16	-1.627	198.7
BC8H15(OOH)AD+O2<=>C8(OOH)AD-BO2	8.75E+13	-0.816	-536.5
DC8H15(OOH)BD+O2<=>C8(OOH)BD-DO2	1.72E+16	-1.627	198.7
BC8H15(OOH)DD+O2<=>C8(OOH)DD-BO2	8.75E+13	-0.816	-536.5





C8(OOH)AA-CO2<=>C8(OOH)AC-KETA+OH	1.00E+12	0	24169.868
C8(OOH)AC-AO2<=>C8(OOH)AC-KETA+OH	2.59E+04	1.9	1.88E+04
C8(OOH)BC-AO2<=>C8(OOH)AC-KETB+OH	5.79E+01	2.9	1.70E+04
C8(OOH)AD-CO2<=>C8(OOH)CD-KETA+OH	5.00E+11	0	24169.868
C8(OOH)AD-CO2<=>C8(OOH)AC-KETD+OH	4.00E+13	0	3.43E+04
C8(OOH)CD-AO2<=>C8(OOH)AC-KETD+OH	557	1.8	16600
C8(OOH)AA-DO2<=>C8(OOH)AD-KETA+OH	1114	1.8	16600
C8(OOH)AD-AO2<=>C8(OOH)AD-KETA+OH	2.59E+04	1.9	1.88E+04
C8(OOH)AD-AO2<=>C8(OOH)AA-KETD+OH	557	1.8	16600
C8(OOH)AB-DO2<=>C8(OOH)AD-KETB+OH	5.79E+01	2.9	1.70E+04
C8(OOH)AB-DO2<=>C8(OOH)BD-KETA+OH	557	1.8	16600
C8(OOH)BD-AO2<=>C8(OOH)AD-KETB+OH	5.79E+01	2.9	1.70E+04
C8(OOH)BD-AO2<=>C8(OOH)AB-KETD+OH	557	1.8	16600
C8(OOH)AD-DO2<=>C8(OOH)AD-KETD+OH	2.59E+04	1.9	1.88E+04
C8(OOH)AD-DO2<=>C8(OOH)DD-KETA+OH	557	1.8	16600
C8(OOH)DD-AO2<=>C8(OOH)AD-KETD+OH	1114	1.8	16600
C8(OOH)AB-CO2<=>C8(OOH)AC-KETB+OH	4.00E+15	0	3.05E+04
C8(OOH)AB-CO2<=>C8(OOH)BC-KETA+OH	5.00E+11	0	24169.868
C8(OOH)AC-BO2<=>C8(OOH)BC-KETA+OH	5.49E+03	2.4	1.99E+04
C8(OOH)AC-DO2<=>C8(OOH)CD-KETA+OH	557	1.8	16600
C8(OOH)BC-DO2<=>C8(OOH)CD-KETB+OH	5.79E+01	2.9	1.70E+04
C8(OOH)BD-CO2<=>C8(OOH)CD-KETB+OH	4.00E+15	0	3.05E+04
C8(OOH)BD-CO2<=>C8(OOH)BC-KETD+OH	4.00E+13	0	3.43E+04
C8(OOH)CD-BO2<=>C8(OOH)BC-KETD+OH	5.49E+03	2.4	1.99E+04
C8(OOH)CD-DO2<=>C8(OOH)CD-KETD+OH	2.59E+04	1.9	1.88E+04
C8(OOH)DD-CO2<=>C8(OOH)CD-KETD+OH	4.00E+13	0	3.43E+04
C8(OOH)AA-AO2<=>C8(OOH)AA-KETA+OH	5.18E+04	1.9	1.88E+04
C8(OOH)AA-BO2<=>C8(OOH)AB-KETA+OH	1.10E+04	2.4	1.99E+04
C8(OOH)AB-AO2<=>C8(OOH)AA-KETB+OH	5.79E+01	2.9	1.70E+04
C8(OOH)AB-AO2<=>C8(OOH)AB-KETA+OH	2.59E+04	1.9	1.88E+04
C8(OOH)AD-BO2<=>C8(OOH)BD-KETA+OH	5.49E+03	2.4	1.99E+04
C8(OOH)AD-BO2<=>C8(OOH)AB-KETD+OH	5.49E+03	2.4	1.99E+04
C8(OOH)BD-DO2<=>C8(OOH)DD-KETB+OH	5.79E+01	2.9	1.70E+04
C8(OOH)BD-DO2<=>C8(OOH)BD-KETD+OH	2.59E+04	1.9	1.88E+04
C8(OOH)DD-BO2<=>C8(OOH)BD-KETD+OH	1.10E+04	2.4	1.99E+04

C8(OOH)AC-KETA<=>2OH+CH3COCH3+HCO+CH2O+C3H5-T	2.00E+16	0	3.90E+04
C8(OOH)AC-KETB<=>2OH+CH3COCH3+CH3+CH2O+C2H3CO	2.00E+16	0	3.90E+04
C8(OOH)CD-KETA<=>2OH+HCO+CH2O+IC4H8+CH3CO	2.00E+16	0	3.90E+04
C8(OOH)AC-KETD<=>2OH+CH2O+HCO+CH3CO+IC4H8	2.00E+16	0	3.90E+04
C8(OOH)AD-KETA<=>OH+CH2O+C3H6+HO2+IC3H5CHO	2.00E+16	0	3.90E+04
C8(OOH)AA-KETD<=>2OH+2CH2O+C3H5-T+C3H5O 	2.00E+16	0	3.90E+04
C8(OOH)AD-KETB<=>OH+HO2+CH2O+C2H3CHO+IC4H8  	2.00E+16	0	3.90E+04
C8(OOH)AD-KETD<=>2OH+CH2O+C3H5O+TC3H6CHO	2.00E+16	0	3.90E+04
C8(OOH)DD-KETA<=>2OH+2CH2O+C2H3+TC3H6CHO	2.00E+16	0	3.90E+04
C8(OOH)BC-KETA<=>2OH+HCO+CH3COCH3+TC3H6CHO	2.00E+16	0	3.90E+04
C8(OOH)CD-KETB<=>2OH+CH2O+CH3+IC3H5CHO+CH3CO	2.00E+16	0	3.90E+04
C8(OOH)BC-KETD<=>2OH+CH3+IC4H9CHO+HCO+CO 	2.00E+16	0	3.90E+04
C8(OOH)CD-KETD<=>2OH+CH2O+HCO+TC4H9+CH2CO	2.00E+16	0	3.90E+04
C8(OOH)AA-KETA<=>2OH+2CH2O+C2H3CO+IC3H7 	2.00E+16	0	3.90E+04
C8(OOH)AA-KETB<=>2OH+2CH2O+IC3H7+C2H3CO	        2.00E+16	0	3.90E+04
C8(OOH)AB-KETA<=>OH+HO2+IC3H5CHO+IC3H7CHO	2.00E+16	0	3.90E+04
C8(OOH)BD-KETA<=>2OH+CH2O+C3H5O+TC3H6CHO	2.00E+16	0	3.90E+04
C8(OOH)AB-KETD<=>2OH+CH2O+TC3H6CHO+C3H5O	2.00E+16	0	3.90E+04
C8(OOH)DD-KETB<=>2OH+2CH2O+IC4H9+HCCO	        2.00E+16	0	3.90E+04
C8(OOH)BD-KETD<=>OH+HO2+IC4H9CHO+C2H3CHO	2.00E+16	0	3.90E+04

CC8H16OH-D<=>NEOC5H11+IC3H5OH 1.617E+22 -2.490 3.102E+04
REV/ 1.000E+11 0.000 9.200E+03 /
BC8H16OH-C<=>TC4H9+IC4H7OH 3.441E+22 -2.640 3.269E+04
REV/ 1.000E+11 0.000 9.200E+03 /
CC8H16OH-BO2<=>CC8H16OH-B+O2 7.675E+20 -2.000 3.551E+04
REV/ 1.500E+12 0.000 0.000E+00 /
BC8H16OH-CO2<=>BC8H16OH-C+O2 1.033E+22 -2.180 3.477E+04
REV/ 2.000E+12 0.000 0.000E+00 /
CC8H16OH-DO2<=>CC8H16OH-D+O2 1.963E+18 -1.450 3.431E+04
REV/ 1.000E+12 0.000 0.000E+00 /
DC8H16OH-CO2<=>DC8H16OH-C+O2 1.638E+22 -2.160 3.473E+04
REV/ 2.000E+12 0.000 0.000E+00 /
CC8H16OH-BO2<=>CC8H16O-BO2H 1.200E+12 0.000 1.890E+04
REV/ 1.419E+15 -0.930 3.590E+03 /
BC8H16OH-CO2<=>BC8H16O-CO2H 1.200E+12 0.000 1.890E+04
REV/ 1.382E+15 -0.920 3.580E+03 /
CC8H16OH-DO2<=>CC8H16O-DO2H 1.200E+12 0.000 1.890E+04
REV/ 1.418E+15 -0.930 3.580E+03 /
DC8H16OH-CO2<=>DC8H16O-CO2H 1.200E+12 0.000 1.890E+04
REV/ 1.420E+15 -0.930 3.590E+03 /
CC8H16O-BO2H<=>TC4H9CHO+CH3COCH3+OH 3.861E+23 -3.090 1.300E+04
REV/ 0.000E+00 0.000 0.000E+00 /
BC8H16O-CO2H<=>TC4H9CHO+CH3COCH3+OH 1.611E+23 -2.870 1.509E+04
REV/ 0.000E+00 0.000 0.000E+00 /
CC8H16O-DO2H<=>NEOC5H11COCH3+CH2O+OH 8.325E+18 -1.470 1.791E+04
REV/ 0.000E+00 0.000 0.000E+00 /
DC8H16O-CO2H<=>NEOC5H11COCH3+CH2O+OH 5.850E+20 -2.070 1.688E+04
REV/ 0.000E+00 0.000 0.000E+00 /
IC6H13CHO-B+OH<=>IC6H13CO-B+H2O 3.370E+12 0.000 -6.160E+02
REV/ 2.572E+12 -0.030 3.095E+04 /
IC6H13CHO-B+OH<=>AC6H12CHO-B+H2O 1.530E+08 1.530 8.775E+03
REV/ 3.174E+07 1.520 2.821E+04 /
IC6H13CHO-B+OH<=>CC6H12CHO-B+H2O 4.670E+07 1.610 -3.500E+01
REV/ 4.905E+05 1.980 2.186E+04 /
IC6H13CHO-B+OH<=>DC6H12CHO-B+H2O 4.670E+07 1.610 -3.500E+01
REV/ 4.905E+05 1.980 2.186E+04 /
IC6H13CHO-B+OH<=>EC6H12CHO-B+H2O 5.270E+09 0.970 1.586E+03
REV/ 1.093E+09 0.960 2.102E+04 /
IC6H13CHO-B+HO2<=>IC6H13CO-B+H2O2 1.000E+12 0.000 1.192E+04
REV/ 4.531E+12 -0.360 1.202E+04 /
IC6H13CHO-B+HO2<=>AC6H12CHO-B+H2O2 5.520E+04 2.550 1.648E+04
REV/ 6.797E+04 2.210 4.452E+03 /
IC6H13CHO-B+HO2<=>CC6H12CHO-B+H2O2 2.475E+04 2.600 1.391E+04
REV/ 1.543E+03 2.640 4.342E+03 /
IC6H13CHO-B+HO2<=>DC6H12CHO-B+H2O2 2.475E+04 2.600 1.391E+04
REV/ 1.543E+03 2.640 4.342E+03 /
IC6H13CHO-B+HO2<=>EC6H12CHO-B+H2O2 2.760E+04 2.550 1.648E+04
REV/ 3.398E+04 2.210 4.452E+03 /
IC6H13CHO-B+CH3O2<=>IC6H13CO-B+CH3O2H 1.000E+12 0.000 1.192E+04
REV/ 1.862E+13 -0.530 1.130E+04 /
IC6H13CHO-B+CH3O2<=>AC6H12CHO-B+CH3O2H 4.760E+04 2.550 1.649E+04
REV/ 2.408E+05 2.040 3.746E+03 /
IC6H13CHO-B+CH3O2<=>CC6H12CHO-B+CH3O2H 1.770E+12 0.000 1.705E+04
REV/ 4.535E+11 -0.140 6.764E+03 /
IC6H13CHO-B+CH3O2<=>DC6H12CHO-B+CH3O2H 1.770E+12 0.000 1.705E+04
REV/ 4.535E+11 -0.140 6.764E+03 /
IC6H13CHO-B+CH3O2<=>EC6H12CHO-B+CH3O2H 6.030E+12 0.000 1.938E+04
REV/ 3.051E+13 -0.510 6.627E+03 /
IC6H13CO-B<=>BC6H13+CO 1.164E+21 -2.320 1.100E+04
REV/ 1.500E+11 0.000 4.810E+03 /
IC6H13CO-B<=>IC3H6CO+NC3H7 5.078E+20 -1.910 3.872E+04
REV/ 1.000E+11 0.000 1.060E+04 /
AC6H12CHO-B<=>AC6H12+HCO 9.365E+18 -1.660 1.983E+04
REV/ 1.500E+11 0.000 4.810E+03 /
AC6H12CHO-B<=>IC3H5CHO+NC3H7 4.476E+19 -1.810 2.712E+04
REV/ 1.000E+11 0.000 1.060E+04 /
CC6H12CHO-B<=>BC6H12+HCO 6.473E+17 -1.460 2.521E+04
REV/ 1.000E+11 0.000 1.060E+04 /
DC6H12CHO-B<=>C3H6+TC3H6CHO 2.730E+17 -1.450 2.102E+04
REV/ 1.000E+11 0.000 7.800E+03 /
EC6H12CHO-B<=>C2H4+TC4H8CHO 5.062E+18 -1.570 3.041E+04
REV/ 2.500E+11 0.000 7.800E+03 /
IC6H13CHO-D+OH<=>IC6H13CO-D+H2O 3.370E+12 0.000 -6.160E+02
REV/ 2.179E+12 0.000 3.092E+04 /
IC6H13CHO-D+OH<=>AC6H12CHO-D+H2O 1.530E+08 1.530 8.775E+03
REV/ 3.141E+07 1.520 2.821E+04 /
IC6H13CHO-D+OH<=>BC6H12CHO-D+H2O 1.684E+12 0.000 -7.810E+02
REV/ 5.982E+09 0.570 2.314E+04 /
IC6H13CHO-D+OH<=>CC6H12CHO-D+H2O 3.615E+07 1.640 -2.470E+02
REV/ 2.545E+05 2.060 2.159E+04 /
IC6H13CHO-D+OH<=>DC6H12CHO-D+H2O 1.684E+12 0.000 -7.810E+02
REV/ 1.091E+13 -0.170 2.991E+04 /
IC6H13CHO-D+OH<=>EC6H12CHO-D+H2O 5.270E+09 0.970 1.586E+03
REV/ 1.082E+09 0.960 2.102E+04 /
IC6H13CHO-D+HO2<=>IC6H13CO-D+H2O2 3.000E+12 0.000 1.192E+04
REV/ 1.152E+13 -0.330 1.200E+04 /
IC6H13CHO-D+HO2<=>AC6H12CHO-D+H2O2 4.760E+04 2.550 1.649E+04
REV/ 5.801E+04 2.210 4.466E+03 /
IC6H13CHO-D+HO2<=>BC6H12CHO-D+H2O2 8.000E+10 0.000 1.192E+04
REV/ 1.687E+09 0.240 4.382E+03 /
IC6H13CHO-D+HO2<=>CC6H12CHO-D+H2O2 5.600E+12 0.000 1.770E+04
REV/ 2.340E+11 0.090 8.072E+03 /
IC6H13CHO-D+HO2<=>DC6H12CHO-D+H2O2 8.000E+10 0.000 1.192E+04
REV/ 3.075E+12 -0.500 1.115E+04 /
IC6H13CHO-D+HO2<=>EC6H12CHO-D+H2O2 2.760E+04 2.550 1.648E+04
REV/ 3.363E+04 2.210 4.452E+03 /
IC6H13CHO-D+CH3O2<=>IC6H13CO-D+CH3O2H 2.800E+12 0.000 1.360E+04
REV/ 4.417E+13 -0.510 1.295E+04 /
IC6H13CHO-D+CH3O2<=>AC6H12CHO-D+CH3O2H 4.760E+04 2.550 1.649E+04
REV/ 2.384E+05 2.040 3.746E+03 /
IC6H13CHO-D+CH3O2<=>BC6H12CHO-D+CH3O2H 3.610E+03 2.550 1.053E+04
REV/ 3.128E+02 2.620 2.274E+03 /
IC6H13CHO-D+CH3O2<=>CC6H12CHO-D+CH3O2H 9.640E+03 2.600 1.391E+04
REV/ 1.655E+03 2.520 3.562E+03 /
IC6H13CHO-D+CH3O2<=>DC6H12CHO-D+CH3O2H 3.610E+03 2.550 1.003E+04
REV/ 5.703E+05 1.880 8.544E+03 /
IC6H13CHO-D+CH3O2<=>EC6H12CHO-D+CH3O2H 6.030E+12 0.000 1.938E+04
REV/ 3.020E+13 -0.510 6.627E+03 /
IC6H13CO-D<=>DC6H13+CO 3.730E+18 -1.630 1.284E+04
REV/ 1.500E+11 0.000 4.810E+03 /
IC6H13CO-D<=>CH3CHCO+IC4H9 3.828E+19 -1.640 3.974E+04
REV/ 1.000E+11 0.000 1.060E+04 /
AC6H12CHO-D<=>C3H6+IC3H6CHO 8.430E+18 -1.630 3.260E+04
REV/ 1.000E+11 0.000 1.060E+04 /
BC6H12CHO-D<=>IC4H8+CH3CHCHO 1.969E+17 -1.500 2.396E+04
REV/ 1.000E+11 0.000 7.800E+03 /
CC6H12CHO-D<=>CC6H12+HCO 2.806E+15 -0.940 2.646E+04
REV/ 1.000E+11 0.000 1.060E+04 /
DC6H12CHO-D<=>IC3H5CHO+IC3H7 7.829E+15 -0.600 3.151E+04
REV/ 1.000E+11 0.000 8.300E+03 /
EC6H12CHO-D<=>DC6H12+HCO 3.838E+16 -1.190 2.666E+04
REV/ 1.000E+11 0.000 1.060E+04 /
IC3H7COC3H7-I+OH<=>IC3H7COC3H6-I+H2O 3.060E+08 1.530 8.775E+03
REV/ 3.078E+07 1.530 2.821E+04 /
IC3H7COC3H7-I+OH<=>IC3H7COC3H6-T+H2O 3.368E+12 0.000 -7.810E+02
REV/ 1.156E+13 -0.080 2.983E+04 /
IC3H7COC3H7-I+HO2<=>IC3H7COC3H6-I+H2O2 5.480E+04 2.550 1.550E+04
REV/ 3.272E+04 2.220 3.472E+03 /
IC3H7COC3H7-I+HO2<=>IC3H7COC3H6-T+H2O2 1.600E+11 0.000 1.192E+04
REV/ 3.260E+12 -0.410 1.107E+04 /
IC3H7COC3H7-I+CH3O2<=>IC3H7COC3H6-I+CH3O2H 4.000E+04 2.550 1.550E+04
REV/ 9.814E+04 2.040 2.752E+03 /
IC3H7COC3H7-I+CH3O2<=>IC3H7COC3H6-T+CH3O2H 7.220E+03 2.550 8.032E+03
REV/ 6.045E+05 1.970 6.464E+03 /
IC3H7COC3H6-I<=>C3H6+IC3H7CO 1.859E+19 -1.670 2.805E+04
REV/ 1.000E+11 0.000 1.060E+04 /
IC3H7COC3H6-T<=>IC3H6CO+IC3H7 1.217E+17 -0.630 4.205E+04
REV/ 1.000E+11 0.000 1.190E+04 /
TC4H9COC2H5+OH<=>TC4H8COC2H5+H2O 2.290E+08 1.530 7.750E+02
REV/ 4.716E+07 1.520 2.021E+04 /
TC4H9COC2H5+OH<=>TC4H9COC2H4P+H2O 5.720E+09 0.970 1.586E+03
REV/ 1.178E+09 0.960 2.102E+04 /
TC4H9COC2H5+OH<=>TC4H9COC2H4S+H2O 8.950E+11 0.000 -2.280E+02
REV/ 1.587E+13 -0.220 2.862E+04 /
TC4H9COC2H5+HO2<=>TC4H8COC2H5+H2O2 3.010E+04 2.550 1.550E+04
REV/ 3.679E+04 2.210 3.472E+03 /
TC4H9COC2H5+HO2<=>TC4H9COC2H4P+H2O2 2.380E+04 2.550 1.649E+04
REV/ 2.909E+04 2.210 4.462E+03 /
TC4H9COC2H5+HO2<=>TC4H9COC2H4S+H2O2 2.000E+11 0.000 8.698E+03
REV/ 2.106E+13 -0.550 6.080E+03 /
TC4H9COC2H5+CH3O2<=>TC4H8COC2H5+CH3O2H 3.010E+04 2.550 1.550E+04
REV/ 1.512E+05 2.040 2.752E+03 /
TC4H9COC2H5+CH3O2<=>TC4H9COC2H4P+CH3O2H 3.010E+12 0.000 1.938E+04
REV/ 1.512E+13 -0.510 6.632E+03 /
TC4H9COC2H5+CH3O2<=>TC4H9COC2H4S+CH3O2H 2.000E+12 0.000 1.525E+04
REV/ 8.653E+14 -0.720 1.191E+04 /
TC4H8COC2H5<=>IC4H8+C2H5CO 2.900E+22 -2.700 2.753E+04
REV/ 1.000E+11 0.000 1.060E+04 /
TC4H8COC2H5<=>IC3H5COC2H5+CH3 2.726E+16 -1.080 2.811E+04
REV/ 1.000E+11 0.000 1.060E+04 /
TC4H9COC2H4P<=>C2H4+TC4H9CO 2.701E+17 -1.510 2.611E+04
REV/ 2.500E+11 0.000 7.800E+03 /
TC4H9COC2H4S<=>CH3CHCO+TC4H9 4.600E+20 -1.890 3.825E+04
REV/ 1.000E+11 0.000 1.060E+04 /
NEOC5H11COCH3+OH<=>NEOC5H11COCH2+H2O 5.100E+11 0.000 1.192E+03
REV/ 1.077E+11 -0.010 2.063E+04 /
NEOC5H11COCH3+OH<=>NEOC5H10COCH3+H2O 2.290E+08 1.530 7.750E+02
REV/ 4.838E+07 1.520 2.021E+04 /
NEOC5H11COCH3+OH<=>TC4H9CHCOCH3+H2O 8.950E+11 0.000 -2.280E+02
REV/ 1.823E+13 -0.240 2.864E+04 /
NEOC5H11COCH3+HO2<=>TC4H9CHCOCH3+H2O2 2.000E+11 0.000 8.698E+03
REV/ 2.419E+13 -0.560 6.100E+03 /
NEOC5H11COCH3+HO2<=>NEOC5H11COCH2+H2O2 2.380E+04 2.550 1.550E+04
REV/ 2.985E+04 2.210 3.472E+03 /
NEOC5H11COCH3+HO2<=>NEOC5H10COCH3+H2O2 3.010E+04 2.550 1.550E+04
REV/ 3.775E+04 2.210 3.472E+03 /
NEOC5H11COCH3+CH3O2<=>NEOC5H11COCH2+CH3O2H 3.010E+13 0.000 1.758E+04
REV/ 1.551E+14 -0.510 4.832E+03 /
NEOC5H11COCH3+CH3O2<=>NEOC5H10COCH3+CH3O2H 3.010E+04 2.550 1.550E+04
REV/ 1.551E+05 2.040 2.752E+03 /
NEOC5H11COCH3+CH3O2<=>TC4H9CHCOCH3+CH3O2H 2.000E+12 0.000 1.525E+04
REV/ 9.939E+14 -0.740 1.193E+04 /
NEOC5H11COCH2<=>CH2CO+NEOC5H11 7.583E+16 -1.100 3.671E+04
REV/ 1.000E+11 0.000 1.190E+04 /
NEOC5H10COCH3<=>IC4H8+CH3COCH2 1.270E+21 -2.310 2.858E+04
REV/ 1.000E+11 0.000 1.060E+04 /
NEOC5H10COCH3<=>IC4H7COCH3+CH3 2.331E+17 -1.220 3.256E+04
REV/ 1.000E+11 0.000 1.060E+04 /
TC4H9CHCOCH3<=>IC3H6CHCOCH3+CH3 1.896E+18 -1.330 3.413E+04
REV/ 1.000E+11 0.000 1.060E+04 /
NEOC6H13CHO+OH<=>NEOC6H13CO+H2O 3.370E+12 0.000 -6.160E+02
REV/ 2.399E+12 -0.020 3.094E+04 /
NEOC6H13CHO+OH<=>GC6H12CHO+H2O 4.670E+07 1.610 -3.500E+01
REV/ 1.200E+06 1.850 2.199E+04 /
NEOC6H13CHO+OH<=>HC6H12CHO+H2O 4.670E+07 1.610 -3.500E+01
REV/ 1.174E+09 1.340 2.887E+04 /
NEOC6H13CHO+OH<=>FC6H12CHO+H2O 1.290E+10 1.050 1.810E+03
REV/ 2.531E+09 1.050 2.125E+04 /
NEOC6H13CHO+HO2<=>NEOC6H13CO+H2O2 2.800E+12 0.000 1.360E+04
REV/ 1.183E+13 -0.350 1.369E+04 /
NEOC6H13CHO+HO2<=>GC6H12CHO+H2O2 1.475E+04 2.600 1.391E+04
REV/ 2.250E+03 2.520 4.472E+03 /
NEOC6H13CHO+HO2<=>HC6H12CHO+H2O2 8.000E+10 0.000 1.192E+04
REV/ 1.194E+13 -0.590 9.362E+03 /
NEOC6H13CHO+HO2<=>FC6H12CHO+H2O2 1.680E+13 0.000 1.940E+04
REV/ 1.956E+13 -0.330 7.372E+03 /
NEOC6H13CHO+CH3O2<=>NEOC6H13CO+CH3O2H 1.000E+12 0.000 9.500E+03
REV/ 1.737E+13 -0.520 8.872E+03 /
NEOC6H13CHO+CH3O2<=>GC6H12CHO+CH3O2H 1.990E+12 0.000 1.705E+04
REV/ 1.247E+12 -0.260 6.894E+03 /
NEOC6H13CHO+CH3O2<=>HC6H12CHO+CH3O2H 8.000E+10 0.000 1.192E+04
REV/ 4.905E+13 -0.770 8.642E+03 /
NEOC6H13CHO+CH3O2<=>FC6H12CHO+CH3O2H 1.680E+13 0.000 1.940E+04
REV/ 8.039E+13 -0.510 6.652E+03 /
NEOC6H13CO<=>HC6H13+CO 1.820E+16 -1.190 1.337E+04
REV/ 1.500E+11 0.000 4.810E+03 /
NEOC6H13CO<=>NEOC5H11+CH2CO 2.040E+17 -1.180 3.720E+04
REV/ 1.000E+11 0.000 7.800E+03 /
GC6H12CHO<=>NEOC6H12+HCO 3.453E+14 -0.830 2.546E+04
REV/ 1.000E+11 0.000 7.800E+03 /
HC6H12CHO<=>C2H3CHO+TC4H9 6.884E+19 -1.760 2.769E+04
REV/ 1.000E+11 0.000 7.800E+03 /
FC6H12CHO<=>IC4H8+CH2CH2CHO 8.235E+22 -2.670 3.277E+04
REV/ 1.000E+11 0.000 1.060E+04 /
IC4H7COCH3+OH<=>IC4H7COCH2+H2O 5.100E+11 0.000 1.192E+03
REV/ 6.009E+13 -0.690 2.766E+04 /
IC4H7COCH3+OH<=>IC3H5CHCOCH3+H2O 8.450E+11 0.000 -2.280E+02
REV/ 1.445E+13 -0.210 2.862E+04 /
IC4H7COCH3+OH<=>AC3H4CH2COCH3+H2O 3.120E+06 2.000 -2.980E+02
REV/ 5.431E+08 1.390 3.246E+04 /
IC4H7COCH3+HO2<=>IC4H7COCH2+H2O2 2.380E+04 2.550 1.469E+04
REV/ 1.665E+07 1.530 9.691E+03 /
IC4H7COCH3+HO2<=>IC3H5CHCOCH3+H2O2 2.000E+11 0.000 8.698E+03
REV/ 2.030E+13 -0.540 6.080E+03 /
IC4H7COCH3+HO2<=>AC3H4CH2COCH3+H2O2 9.640E+03 2.600 1.391E+04
REV/ 9.961E+06 1.660 1.521E+04 /
IC4H7COCH3+CH3O2<=>IC4H7COCH2+CH3O2H 3.010E+12 0.000 1.938E+04
REV/ 8.652E+15 -1.190 1.366E+04 /
IC4H7COCH3+CH3O2<=>IC3H5CHCOCH3+CH3O2H 2.000E+12 0.000 1.525E+04
REV/ 8.342E+14 -0.720 1.191E+04 /
IC4H7COCH3+CH3O2<=>AC3H4CH2COCH3+CH3O2H 3.010E+12 0.000 1.938E+04
REV/ 1.278E+16 -1.110 1.995E+04 /
IC4H7COCH2<=>IC4H7+CH2CO 1.161E+19 -1.760 3.918E+04
REV/ 8.000E+10 0.000 8.600E+03 /
IC3H5CHCOCH3<=>C4H6+CH3CO 4.284E+19 -1.820 3.675E+04
REV/ 8.000E+10 0.000 1.300E+04 /
AC3H4CH2COCH3<=>C3H4-A+CH3COCH2 6.837E+21 -2.470 5.397E+04
REV/ 8.000E+10 0.000 9.600E+03 /
XC7H13OOH-X1<=>XC7H13O-X1+OH 2.021E+20 -1.580 4.771E+04
REV/ 2.000E+13 0.000 0.000E+00 /
YC7H13OOH-X1<=>YC7H13O-X1+OH 4.178E+20 -1.680 4.781E+04
REV/ 2.000E+13 0.000 0.000E+00 /
XC7H13OOH-Z<=>XC7H13O-Z+OH 3.762E+21 -1.880 4.643E+04
REV/ 2.000E+13 0.000 0.000E+00 /
XC7H13OOH-Y2<=>XC7H13O-Y2+OH 8.652E+19 -1.310 4.602E+04
REV/ 2.000E+13 0.000 0.000E+00 /
YC7H13OOH-X2<=>YC7H13O-X2+OH 1.879E+20 -1.520 4.703E+04
REV/ 2.000E+13 0.000 0.000E+00 /
OC7H13OOH-N<=>OC7H13O-N+OH 1.828E+20 -1.510 4.702E+04
REV/ 2.000E+13 0.000 0.000E+00 /
OC7H13OOH-Q<=>OC7H13O-Q+OH 4.187E+20 -1.680 4.784E+04
REV/ 2.000E+13 0.000 0.000E+00 /
PC7H13OOH-O<=>PC7H13O-O+OH 8.219E+19 -1.170 4.249E+04
REV/ 2.000E+13 0.000 0.000E+00 /
XC7H13O-X1<=>CH2O+DC6H11-D 2.896E+21 -2.389 3.488E+04
REV/ 1.000E+11 0.000 1.190E+04 /
YC7H13O-X1<=>CH2O+CC6H11-D 2.665E+21 -2.378 3.487E+04
REV/ 1.000E+11 0.000 1.190E+04 /
XC7H13O-Y2<=>CH3COCH3+IC4H7 4.259E+19 -1.670 1.653E+04
REV/ 1.000E+11 0.000 1.190E+04 /
YC7H13O-X2<=>CH2O+CC6H11-B       5.285E+25  -2.062  3.517E+04  
REV/ 1.000E+11    0.000 1.190E+04 /
OC7H13O-N<=>CH2O+CC6H11-B 1.138E+18 -1.750 2.305E+03
REV/ 1.000E+11 0.000 9.600E+03 /
OC7H13O-Q<=>CH2O+NEOC6H11 2.715E+16 -0.990 2.951E+04
REV/ 1.000E+11 0.000 9.600E+03 /
CC6H11-D<=>C3H4-P+IC3H7 4.791E+12 0.280 2.896E+04
REV/ 1.000E+11 0.000 7.800E+03 /
DC6H11-D<=>C3H4-A+IC3H7 2.693E+16 -0.890 3.054E+04
REV/ 1.000E+11 0.000 7.800E+03 /
!IC4H6OH+H2O<=>IC4H7OH+OH 5.875E+06 1.927 3.024E+04
!REV/ 3.120E+06 2.000 -2.980E+02 /
IC4H6OH+CH4<=>IC4H7OH+CH3 3.570E+02 3.087 2.287E+04
REV/ 2.210E+00 3.500 5.675E+03 /
IC4H6OH+C3H6<=>IC4H7OH+C3H5-A 2.508E+02 3.168 1.864E+04
REV/ 5.750E+02 3.150 1.866E+04 /
IC4H6OH+CH3CHO<=>IC4H7OH+CH3CO 1.357E+09 1.400 1.794E+04
REV/ 5.300E+06 2.000 1.624E+04 /
C3H5-A+CH2O<=>C3H6+HCO 6.300E+08 1.900 1.819E+04
REV/ 1.097E+08  1.89  1.584E+04 /
IC3H6CHCOCH3+OH<=>AC3H5CHCOCH3+H2O 1.530E+08 1.530 8.775E+03
REV/ 1.339E+10 1.010 4.143E+04 /
IC3H6CHCOCH3+OH<=>IC3H6CHCOCH2+H2O 5.100E+11 0.000 1.192E+03
REV/ 6.120E+07 -0.460 2.807E+04 /
IC3H6CHCOCH3+OH<=>IC3H7CHO+CH3CO 1.000E+11 0.000 0.000E+00
REV/ 3.844E+06 1.020 1.555E+04 /
IC3H6CHCOCH3+HO2<=>AC3H5CHCOCH3+H2O2 2.740E+04 2.550 1.550E+04
REV/ 1.423E+07 1.710 1.669E+04 /
IC3H6CHCOCH3+HO2<=>IC3H6CHCOCH2+H2O2 2.380E+04 2.550 1.469E+04
REV/ 1.695E+01 1.760 1.011E+04 /
IC3H6CHCOCH3+CH3O2<=>AC3H5CHCOCH3+CH3O2H 5.000E+10 0.000 1.192E+04
REV/ 1.067E+14 -1.020 1.239E+04 /
IC3H6CHCOCH3+CH3O2<=>IC3H6CHCOCH2+CH3O2H 3.010E+12 0.000 1.758E+04
REV/ 8.811E+09 -0.960 1.227E+04 /
AC3H5CHCOCH3+HO2<=>IC3H5CHO+CH3CO+OH 1.000E+12 0.000 0.000E+00
REV/ 1.000E+00 0.000 0.000E+00 /
IC3H6CHCOCH2<=>IC4H7+CH2CO 1.401E+14 -1.640 5.075E+04
REV/ 8.000E+10 0.000 1.190E+04 /
C5H10-1+OH<=>C5H10OH-1            1.000E+13   0.00   0.0000E+03
C5H10OH-1+O2<=>O2C5H10OH-1         .600E+13   0.00         .0
O2C5H10OH-1<=>NC3H7CHO+CH2O+OH    2.00E+12 0.00 2.680E+04
C5H10-2+OH<=>C5H10OH-2            1.000E+13   0.00   0.0000E+03
C5H10OH-2+O2<=>O2C5H10OH-2         .600E+13   0.00         .0
O2C5H10OH-2<=>C2H5CHO+CH3CHO+OH    2.00E+12 0.00 2.680E+04
C5H91-3+O2=C5H92O2-1                          2.00E+12    0.0        0.0 
C5H91-4+O2=C5H91O2-4                          7.54E+12    0.0        0.0 
C5H91-5+O2=C5H91O2-5                          4.52E+12    0.0        0.0 
C5H92-4+O2=C5H92O2-4                          2.00E+12    0.0        0.0
C5H92-5+O2=C5H92O2-5                          4.52E+12    0.0        0.0
C5H91O2-3<=>C5H81-3+HO2                        10.040E+38   -8.11   4.05E+04
C5H91O2-4<=>C5H81-3+HO2                         5.040E+38   -8.11   3.85E+04 
C5H91O2-4<=>C5H81-4+HO2                        10.080E+42   -9.41   4.15E+04 
C5H91O2-5<=>C5H81-4+HO2                        10.040E+38   -8.11   4.05E+04 
C5H92O2-4<=>C5H81-3+HO2                        10.080E+42   -9.41   4.15E+04
C5H92O2-5<=>C5H81-3+HO2                         5.040E+38   -8.11   3.85E+04
C5H91O2-3=C5H81OOH3-4                         2.00E+11    0.0    26450.0 
C5H91O2-3=C5H81OOH3-5                         3.75E+10    0.0    24000.0 
C5H91O2-4=C5H81OOH4-3                         1.00E+11    0.0    23450.0 
C5H91O2-4=C5H81OOH4-5                         3.00E+11    0.0    29000.0 
C5H91O2-5=C5H81OOH5-4                         2.00E+11    0.0    26450.0 
C5H91O2-5=C5H81OOH5-3                         1.25E+10    0.0    17450.0 
C5H92O2-5=C5H82OOH5-4                         1.00E+11    0.0    23450.0
C5H92O2-4=C5H82OOH4-5                         3.00E+11    0.0    29000.0  
HO2+C5H81-3=>CY3C5H8O+OH                      4.85E+11    0.0    12700.0 
HO2+C5H81-4=>CY3C5H8O+OH                      4.85E+11    0.0    12700.0 
HO2+C5H81-4<=>C5H81OOH4-5                     2.00E+10    0.0    13700.0 
HO2+C5H81-4<=>C5H81OOH5-4                     2.00E+10    0.0    13700.0 
HO2+C5H81-3<=>C5H82OOH4-5                     1.00E+11    0.0    13700.0 
HO2+C5H81-3<=>C5H81OOH5-4                     1.00E+11    0.0    13700.0 
C5H81OOH4-3=CH3+C2H2+C2H3OOH                  3.00E+13    0.0    37500.0 
C5H81OOH4-5=C3H5-A+C2H3OOH                    3.00E+13    0.0    25000.0 
C5H81OOH5-3=C4H6+CH2O+OH                      3.00E+13    0.0    35000.0 
C5H82OOH4-5=C3H5-T+C2H3OOH                    3.00E+13    0.0    37500.0 
C5H82OOH4-5+O2=C5H82OOH4-5O2                  4.52E+12    0.0        0.0 
C5H82OOH5-4+O2=C5H82OOH5-4O2                  2.00E+12    0.0        0.0
C5H81OOH3-4O2=>NC5D1KET34+OH                  5.00E+10    0.0    20450.0 
C5H81OOH3-5O2=>NC5D1KET35+OH                  6.25E+09    0.0    14450.0 
C5H81OOH4-3O2=>NC5D1KET43+OH                  1.00E+11    0.0    23450.0 
C5H81OOH4-5O2=>NC5D1KET45+OH                  1.00E+11    0.0    23450.0 
C5H81OOH5-3O2=>NC5D1KET53+OH                  2.50E+10    0.0    21000.0 
C5H81OOH5-4O2=>NC5D1KET54+OH                  2.00E+11    0.0    26150.0 
C5H82OOH4-5O2=>NC5D2KET45+OH                  5.00E+10    0.0    20450.0 
C5H82OOH5-4O2=>NC5D2KET54+OH                  2.00E+11    0.0    26150.0 
NC5D1KET34=>OH+C2H3CO+CH3CHO                  1.00E+16    0.0    39000.0 
NC5D1KET35=>OH+HCO+C2H3COCH3                  1.00E+16    0.0    39000.0 
NC5D1KET43=>OH+C2H3CHO+CH3CO                  1.00E+16    0.0    39000.0 
NC5D1KET45=>OH+HCO+C2H3COCH3                  1.00E+16    0.0    39000.0 
NC5D1KET53=>OH+C2H3CHO+CH2CHO                 1.00E+16    0.0    39000.0 
NC5D1KET54=>OH+HCO+C2H3COCH3                  1.00E+16    0.0    39000.0 
NC5D2KET45=>OH+AC3H5CO+CH2O                   1.00E+16    0.0    39000.0 
NC5D2KET54=>OH+HCO+C2H3COCH3                  1.00E+16    0.0    39000.0
C5H81OOH3-4=>CY3C5H8O+OH                      6.00E+11    0.0    22000.0 
C5H81OOH3-5=>CY3C5H8O+OH                      7.50E+10    0.0    15250.0 
C5H81OOH4-3=>CY3C5H8O+OH                       9.375E+09  0.000  07000.0 
C5H81OOH4-5=>CY3C5H8O+OH                      6.00E+11    0.0    22000.0 
C5H81OOH5-3=>CY3C5H8O+OH                      7.50E+10    0.0    15250.0 
C5H81OOH5-4=>CY3C5H8O+OH                      6.00E+11    0.0    22000.0 
C5H82OOH5-4=>CY3C5H8O+OH                      9.375E+09  0.000  07000.0
C5H82OOH4-5=>CY3C5H8O+OH                      6.00E+11    0.0    22000.0 
O2+CY3C5H8O=>HO2+C2H3CHO+C2H3                 2.04E+07    2.0    40722.5 
H+CY3C5H8O=>H2+C2H3CHO+C2H3                   2.57E+07    2.0     3950.6 
OH+CY3C5H8O=>H2O+C2H3CHO+C2H3                 4.79E+06    2.0    -2259.8 
O+CY3C5H8O=>OH+C2H3CHO+C2H3                   1.62E+07    2.0     2579.5 
HO2+CY3C5H8O=>H2O2+C2H3CHO+C2H3               6.46E+05    2.0    11887.7 
HCO+CY3C5H8O=>CH2O+C2H3CHO+C2H3               1.52E+06    2.0    12360.4 
CH3+CY3C5H8O=>CH4+C2H3CHO+C2H3                4.68E+05    2.0     4871.3 
C2H5+CY3C5H8O=>C2H6+C2H3CHO+C2H3              2.76E+05    2.0     7658.1 
CH3O+CY3C5H8O=>CH3OH+C2H3CHO+C2H3             5.14E+05    2.0     1583.6 
CH3O2+CY3C5H8O=>CH3O2H+C2H3CHO+C2H3           9.13E+05    2.0    12360.4 
C5H81-4+H<=>C5H91-4                           2.50E+11    0.5     2620.0 
C5H81-3+O=>C4H71-3+HCO                        2.00E+11    0.0    -1050.0 
C5H81-4+O=>C4H71-4+HCO                        2.00E+11    0.0    -1050.0 
C5H81-4+OH=>C3H5-A+CH3CHO                     2.00E+12    0.0        0.0 
NC5KET12<=>NC3H7CHO+HCO+OH 1.050E+16 0.000 4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /
NC5KET13<=>C2H5CHO+CH2CHO+OH 1.050E+16 0.000 4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /
NC5KET14<=>CH3CHO+CH2CH2CHO+OH 1.050E+16 0.000 4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /
NC5KET15<=>CH2O+C3H6CHO-1+OH 1.500E+16 0.000 4.200E+04
REV/ 0.000E+00 0.000 0.000E+00 /
NC5KET21<=>CH2O+NC3H7CO+OH 1.500E+16 0.000 4.200E+04
REV/ 0.000E+00 0.000 0.000E+00 /
NC5KET23<=>C2H5CHO+CH3CO+OH 1.500E+16 0.000 4.200E+04
REV/ 0.000E+00 0.000 0.000E+00 /
NC5KET24<=>CH3CHO+CH3COCH2+OH 1.500E+16 0.000 4.200E+04
REV/ 0.000E+00 0.000 0.000E+00 /
NC5KET25<=>CH2O+CH2CH2COCH3+OH 1.500E+16 0.000 4.200E+04
REV/ 0.000E+00 0.000 0.000E+00 /
NC5KET31<=>CH2O+C2H5COCH2+OH 1.500E+16 0.000 4.200E+04
REV/ 0.000E+00 0.000 0.000E+00 /
NC5KET32<=>CH3CHO+C2H5CO+OH 1.050E+16 0.000 4.160E+04
REV/ 0.000E+00 0.000 0.000E+00 /


C6H13O2-1+NC6H14<=>C6H13O2H-1+C6H13-1 1.210E+13 0.00 2.043E+04
REV/ 1.440E+10 0.00 1.500E+04 /
C6H13O2-2+NC6H14<=>C6H13O2H-2+C6H13-1 1.210E+13 0.00 2.043E+04
REV/ 1.440E+10 0.00 1.500E+04 /
C6H13O2-3+NC6H14<=>C6H13O2H-3+C6H13-1 1.210E+13 0.00 2.043E+04
REV/ 1.440E+10 0.00 1.500E+04 /
C6H13O2-1+NC6H14<=>C6H13O2H-1+C6H13-2 8.064E+12 0.00 1.770E+04
REV/ 1.440E+10 0.00 1.500E+04 /
C6H13O2-2+NC6H14<=>C6H13O2H-2+C6H13-2 8.064E+12 0.00 1.770E+04
REV/ 1.440E+10 0.00 1.500E+04 /
C6H13O2-3+NC6H14<=>C6H13O2H-3+C6H13-2 8.064E+12 0.00 1.770E+04
REV/ 1.440E+10 0.00 1.500E+04 /
C6H13O2-1+NC6H14<=>C6H13O2H-1+C6H13-3 8.064E+12 0.00 1.770E+04
REV/ 1.440E+10 0.00 1.500E+04 /
C6H13O2-2+NC6H14<=>C6H13O2H-2+C6H13-3 8.064E+12 0.00 1.770E+04
REV/ 1.440E+10 0.00 1.500E+04 /
C6H13O2-3+NC6H14<=>C6H13O2H-3+C6H13-3 8.064E+12 0.00 1.770E+04
REV/ 1.440E+10 0.00 1.500E+04 /
NC6H14+C6H13-1<=>NC6H14+C6H13-2 1.000E+11 0.00 1.040E+04
REV/ 1.500E+11 0.00 1.230E+04 /
NC6H14+C6H13-1<=>NC6H14+C6H13-3 1.000E+11 0.00 1.040E+04
REV/ 1.500E+11 0.00 1.230E+04 /
NC6H14+C6H13-2<=>NC6H14+C6H13-3 1.000E+11 0.00 1.040E+04
REV/ 1.000E+11 0.00 1.040E+04 /
O2+C6H12-1=>CH2O+NC4H9CHO         .1000E+15    .000   37000.0      
C6H12-3<=>CH3+C5H91-3 3.000E+16 0.00 7.200E+04   
C6H12-2+OH=>CH3+NC4H9CHO    0.50E+11 0.00 -2.000E+03   
C5H10-1+OH<=>NC3H7+CH3CHO    1.00E+11 0.00 -2.000E+03    
C5H10-2+OH<=>CH3+NC3H7CHO    1.00E+11 0.00 -2.000E+03  
C6H111-3+HO2<=>C6H11O1-3+OH 9.640E+12 0.00 0.000E+00   
C6H111-3+CH3O2<=>C6H11O1-3+CH3O 9.640E+12 0.00 0.000E+00
C6H111-3+C2H5O2<=>C6H11O1-3+C2H5O 9.640E+12 0.00 0.000E+00
C6H112-4+HO2<=>C6H11O2-4+OH 9.640E+12 0.00 0.000E+00
C6H112-4+CH3O2<=>C6H11O2-4+CH3O 9.640E+12 0.00 0.000E+00
C6H112-4+C2H5O2<=>C6H11O2-4+C2H5O 9.640E+12 0.00 0.000E+00
C2H5+C4H6=C6H111-3              8.500E+10   0.000   8300.0
CH3+C5H81-4=C6H111-4            1.000E+11   0.000   7800.0
C6H111-6<=>C6H111-4     3.80E+10  0.670   3.600E+04
C6H111-6<=>C6H111-5     3.56E+10  0.880   3.730E+04
C6H112-6<=>C6H112-4     3.80E+10  0.670   2.840E+04  
C6H112-6<=>C6H112-5     3.56E+10  0.880   3.730E+04  
C6H113-1<=>C6H112-4     3.56E+10  0.880   2.960E+04
C6H111O2-3=>C6H101-3+HO2                       10.040E+38   -8.11   4.05E+04  
C6H111O2-4=>C6H101-3+HO2                        5.040E+38   -8.11   3.85E+04
C6H111O2-5=>C6H101-4+HO2                       10.040E+38   -8.11   4.05E+04  
C6H112O2-4=>C6H102-4+HO2                       10.040E+38   -8.11   4.05E+04  
C6H112O2-5=>C6H102-4+HO2                        5.040E+38   -8.11   3.75E+04
C6H112O2-6=>C6H101-4+HO2                       10.040E+38   -8.11   4.05E+04  
C6H113O2-2=>C6H101-3+HO2                       10.080E+42   -9.41   4.15E+04
C6H113O2-1=>C6H101-3+HO2                        5.040E+38   -8.11   3.75E+04
C6H101OOH3-4=>VTHF+OH                          9.375E+09  0.000  07000.0
C6H101OOH4-3=>EDHF+OH                          9.375E+09  0.000  07000.0 
C6H101OOH4-5=>ETES1+OH                         6.000E+11  0.000  22000.0
C6H101OOH4-6=>ETES1+OH                         7.500E+10  0.000  15250.0
C6H101OOH5-4=>ETES1+OH                         6.000E+11  0.000  22000.0
C6H101OOH5-6=>ETES1+OH                         6.000E+11  0.000  22000.0
C6H101OOH6-4=>ETES1+OH                         7.500E+10  0.000  15250.0
C6H101OOH6-5=>ETES1+OH                         6.000E+11  0.000  22000.0
C6H102OOH4-6=>ETES1+OH                         7.500E+10  0.000  15250.0
C6H102OOH5-4=>ETES1+OH                         6.000E+11  0.000  22000.0 
C6H102OOH5-6=>ETES1+OH                         6.000E+11  0.000  22000.0
C6H102OOH6-4=>ETES1+OH                         7.500E+10  0.000  15250.0 
C6H102OOH6-5=>ETES1+OH                         6.000E+11  0.000  22000.0
C6H103OOH2-1=>ETES1+OH                         6.000E+11  0.000  22000.0
C6H103OOH1-2=>ETES1+OH                         6.000E+11  0.000  22000.0 
HO2+C6H101-3<=>C6H101OOH3-4                    4.85E+11 0.000  1.00E+04
HO2+C6H101-3<=>C6H101OOH4-3                    4.85E+11 0.000  0.90E+04
HO2+C6H101-4<=>C6H101OOH4-5                    3.40E+11 0.000  1.18E+04 
HO2+C6H101-4<=>C6H101OOH5-4                    3.40E+11 0.000  1.18E+04 
HO2+C6H102-4<=>C6H102OOH4-5                    3.80E+11 0.000  8.80E+03
HO2+C6H102-4<=>C6H102OOH5-4                    3.80E+11 0.000  7.80E+03
HO2+C6H101-4<=>C6H102OOH5-6                    1.00E+12 0.000  1.37E+04
HO2+C6H101-4<=>C6H102OOH6-5                    1.00E+12 0.000  1.37E+04
HO2+C6H101-3<=>C6H103OOH2-1                    4.85E+11 0.000  1.00E+04
HO2+C6H101-3<=>C6H103OOH1-2                    4.85E+11 0.000  0.90E+04
C6H101OOH3-4=>CH3+AC3H5OOH+C2H2                  .3000E+14    .000   33500.0
C6H101OOH3-6=>HO2+C4H6+C2H4                      .3000E+14    .000   30000.0
C6H101OOH4-3=>C2H5+CH3O2H+C3H2                   .1000E+14    .000   35000.0
C6H101OOH4-5=>C3H5-A+AC3H5OOH                    .3000E+14    .000   23000.0
C6H101OOH4-6=>OH+C2H3COCH3+C2H4                  .3000E+14    .000   30000.0
C6H101OOH5-3=>OH+C4H6+CH3CHO                     .1000E+14    .000   35000.0
C6H101OOH5-4=>CH3+CH3O2H+2C2H2                   .3000E+14    .000   33500.0
C6H101OOH5-6=>C4H71-4+C2H3OOH                    .3000E+14    .000   30000.0
C6H101OOH6-3=>HO2+C4H6+C2H4                      .1000E+14    .000   35000.0
C6H101OOH6-5=>C3H5-A+AC3H5OOH                    .3000E+14    .000   23000.0
C6H102OOH4-6=>OH+C2H3COCH3+C2H4                  .3000E+14    .000   22000.0
C6H102OOH5-6=>C4H71-3+CH2CHO+OH                  .3000E+14    .000   22000.0
C6H102OOH6-5=>C3H5-T+AC3H5OOH                    .3000E+14    .000   39000.0
C6H103OOH2-1=>C4H71-4+CH2CHO+OH                  .3000E+14    .000   39000.0
NC6D1KET34=>OH+C2H3+CO+C2H5CHO                   .1000E+17    .000   39000.0
NC6D1KET35=>OH+CH2CHO+C2H3COCH3                  .5000E+16    .000   39000.0  
NC6D1KET35=>OH+CH3+CO+C2H3COCH3                  .5000E+16    .000   39000.0  
NC6D1KET36=>OH+C2H3+CO+CH2O+C2H4                 .1000E+17    .000   39000.0
NC6D1KET43=>OH+C3H5O+C2H3CHO                     .1000E+17    .000   39000.0
NC6D1KET45=>OH+C2H3+CH3CHO+CH2CO                 .1000E+17    .000   39000.0
NC6D1KET46=>OH+C3H5-A+CO+CH3CHO                  .1000E+17    .000   39000.0
NC6D1KET53=>OH+C2H5CO+C2H3CHO                    .1000E+17    .000   39000.0
NC6D1KET54=>OH+C3H5-A+CO+CH3CHO                  .1000E+17    .000   39000.0
NC6D1KET56=>OH+C3H5-A+CH2CO+CH2O                 .1000E+17    .000   39000.0
NC6D1KET63=>OH+C2H3CHO+HCO+C2H4                  .1000E+17    .000   39000.0
NC6D1KET64=>OH+C3H5-A+CH3CHO+CO                  .5000E+16    .000   39000.0 
NC6D1KET64=>OH+CH2CHO+AC3H5CHO                   .5000E+16    .000   39000.0 
NC6D1KET65=>OH+HCO+CH2CO+C3H6                    .1000E+17    .000   39000.0
NC6D3KET12=>OH+HCO+C4H7CHO1-4                    .1000E+17    .000   39000.0  
C6H12OH-1=>CH3CHO+PC4H9               1.500E+13    .000 3.000E+04
C6H12OH-1=>C2H5CHO+NC3H7              1.500E+13    .000 3.000E+04
C6H12OH-2=>NC3H7CHO+C2H5              1.500E+13    .000 3.000E+04
C6H12OH-2=>NC4H9CHO+CH3               1.500E+13    .000 3.000E+04
C6H12OH-3=>NC3H7CHO+C2H5              1.500E+13    .000 3.000E+04
C6H12-3+O<=>NC3H7+C2H5CO 1.000E+11 0.00 -1.050E+03
C6H111-4+HO2=C6H111O2H-4                          .9000E+13    .000        .0
C6H111-5+HO2=C6H111O2H-5                          .9000E+13    .000        .0
C6H111-6+HO2=C6H111O2H-6                          .9000E+13    .000        .0
C6H112-5+HO2=C6H112O2H-5                          .9000E+13    .000        .0 
C6H112-6+HO2=C6H112O2H-6                          .9000E+13    .000        .0
C6H112-4+HO2=C6H113O2H-2                          .9000E+13    .000        .0
C6H112-4+HO2=C6H112O2H-4                          .9000E+13    .000        .0
C6H113-1+HO2=C6H113O2H-1                          .9000E+13    .000        .0

!C6H112O2-1=>C2H3COC3H7+OH                      .4000E+13    .000   38000.0   
!C6H111O2-3=>C2H3COC3H7+OH                      .4000E+13    .000   38000.0   
!C6H101OOH3-6=>C2H3COC3H7+OH                    .1000E+12    .000   16700.0   
C6H111O2H-4=>OH+C2H5CHO+C3H5-A                   .1000E+17    .000    39000.0
C6H111O2H-5=>OH+CH3CHO+C4H71-4                   .1000E+17    .000    39000.0
C6H111O2H-6=>OH+CH2O+C5H91-5                     .1000E+17    .000    39000.0
C6H112O2H-4=>OH+C2H3COCH3+C2H5                   .1000E+17    .000    39000.0
C6H112O2H-5=>OH+CH3CHO+C4H71-3                   .1000E+17    .000    39000.0
C6H112O2H-6=>OH+CH2O+C5H91-5                     .1000E+17    .000    39000.0
C6H113O2H-2=>OH+CH3CHO+C4H71-4                   .1000E+17    .000    39000.0
C6H113O2H-1=>OH+CH2O+C5H91-3                     .1000E+17    .000    39000.0
 O2    +ETES1=>HO2   +C2H3COCH3+C2H3   .2045E+08  2.0    40722.49
 H     +ETES1=>H2    +C2H3COCH3+C2H3   .2574E+08  2.0     3950.57
 OH    +ETES1=>H2O   +C2H3COCH3+C2H3   .4793E+07  2.0    -2259.83
 O     +ETES1=>OH    +C2H3COCH3+C2H3   .1624E+08  2.0     2579.54
 HO2   +ETES1=>H2O2  +C2H3COCH3+C2H3   .6465E+06  2.0    11887.73
 HCO   +ETES1=>CH2O  +C2H3COCH3+C2H3   .1516E+07  2.0    12360.44
 CH3   +ETES1=>CH4   +C2H3COCH3+C2H3   .4684E+06  2.0     4871.29
 C2H5  +ETES1=>C2H6  +C2H3COCH3+C2H3   .2758E+06  2.0     7658.07
 CH3O  +ETES1=>CH3OH +C2H3COCH3+C2H3   .5136E+06  2.0     1583.56
 CH3O2 +ETES1=>CH3O2H+C2H3COCH3+C2H3   .9133E+06  2.0    12360.44
 O2    +MVOX=>HO2    +C2H3COCH3+C2H3   .2045E+08  2.0    40722.49
 H     +MVOX=>H2     +C2H3COCH3+C2H3   .2574E+08  2.0     3950.57
 OH    +MVOX=>H2O    +C2H3COCH3+C2H3   .4793E+07  2.0    -2259.83
 O     +MVOX=>OH     +C2H3COCH3+C2H3   .1624E+08  2.0     2579.54
 HO2   +MVOX=>H2O2   +C2H3COCH3+C2H3   .6465E+06  2.0    11887.73
 HCO   +MVOX=>CH2O   +C2H3COCH3+C2H3   .1516E+07  2.0    12360.44
 CH3   +MVOX=>CH4    +C2H3COCH3+C2H3   .4684E+06  2.0     4871.29
 C2H5  +MVOX=>C2H6   +C2H3COCH3+C2H3   .2758E+06  2.0     7658.07
 CH3O2 +MVOX=>CH3O2H +C2H3COCH3+C2H3   .9133E+06  2.0    12360.44
 C2H3  +MVOX=>C2H4   +C2H3COCH3+C2H3   .8139E+06  2.0     4871.29
 CH3O  +MVOX=>CH3OH  +C2H3COCH3+C2H3   .5136E+06  2.0     1583.56
 O2    +VTHF=>HO2    +C2H3COCH3+C2H3   .2045E+08  2.0    40722.49
 H     +VTHF=>H2     +C2H3COCH3+C2H3   .2574E+08  2.0     3950.57
 OH    +VTHF=>H2O    +C2H3COCH3+C2H3   .4793E+07  2.0    -2259.83
 O     +VTHF=>OH     +C2H3COCH3+C2H3   .1624E+08  2.0     2579.54
 HO2   +VTHF=>H2O2   +C2H3COCH3+C2H3   .6465E+06  2.0    11887.73
 HCO   +VTHF=>CH2O   +C2H3COCH3+C2H3   .1516E+07  2.0    12360.44
 CH3   +VTHF=>CH4    +C2H3COCH3+C2H3   .4684E+06  2.0     4871.29
 C2H5  +VTHF=>C2H6   +C2H3COCH3+C2H3   .2758E+06  2.0     7658.07
 CH3O  +VTHF=>CH3OH  +C2H3COCH3+C2H3   .5136E+06  2.0     1583.56
 CH3O2 +VTHF=>CH3O2H +C2H3COCH3+C2H3   .9133E+06  2.0    12360.44
 C2H3  +VTHF=>C2H4   +C2H3COCH3+C2H3   .8139E+06  2.0     4871.29
 O2    +EDHF=>HO2    +C2H3COCH3+C2H3   .2045E+08  2.0    40722.49
 H     +EDHF=>H2     +C2H3COCH3+C2H3   .2574E+08  2.0     3950.57
 OH    +EDHF=>H2O    +C2H3COCH3+C2H3   .4793E+07  2.0    -2259.83
 O     +EDHF=>OH     +C2H3COCH3+C2H3   .1624E+08  2.0     2579.54
 HO2   +EDHF=>H2O2   +C2H3COCH3+C2H3   .6465E+06  2.0    11887.73
 HCO   +EDHF=>CH2O   +C2H3COCH3+C2H3   .1516E+07  2.0    12360.44
 CH3   +EDHF=>CH4    +C2H3COCH3+C2H3   .4684E+06  2.0     4871.29
 C2H5  +EDHF=>C2H6   +C2H3COCH3+C2H3   .2758E+06  2.0     7658.07
 C2H3  +EDHF=>C2H4   +C2H3COCH3+C2H3   .8139E+06  2.0     4871.29
 CH3O2 +EDHF=>CH3O2H +C2H3COCH3+C2H3   .9133E+06  2.0    12360.44
 CH3O  +EDHF=>CH3OH  +C2H3COCH3+C2H3   .5136E+06  2.0     1583.56
 O2    +C5H81-4=>HO2   +C3H5-A+C2H2   .5111E+07  2.0    40722.49
 H     +C5H81-4=>H2    +C3H5-A+C2H2   .6435E+07  2.0     3950.57
 OH    +C5H81-4=>H2O   +C3H5-A+C2H2   .1198E+07  2.0    -2259.83
 O     +C5H81-4=>OH    +C3H5-A+C2H2   .4060E+07  2.0     2579.54
 HO2   +C5H81-4=>H2O2  +C3H5-A+C2H2   .1616E+06  2.0    11887.73
 HCO   +C5H81-4=>CH2O  +C3H5-A+C2H2   .3789E+06  2.0    12360.44
 CH3   +C5H81-4=>CH4   +C3H5-A+C2H2   .1171E+06  2.0     4871.29
 C2H5  +C5H81-4=>C2H6  +C3H5-A+C2H2   .6895E+05  2.0     7658.07
 CH3O  +C5H81-4=>CH3OH +C3H5-A+C2H2   .1284E+06  2.0     1583.56
 CH3O2 +C5H81-4=>CH3O2H+C3H5-A+C2H2   .2283E+06  2.0    12360.44
 C2H3  +C5H81-4=>C2H4  +C3H5-A+C2H2   .2035E+06  2.0     4871.29
C6H101-3+H<=>C6H111-3  2.50E+11   0.50  2620
C6H101-3+H<=>C6H111-4  2.50E+11   0.50  2620
C6H101-3+H<=>C6H113-1  4.25E+11   0.50  1230
C6H101-3+H<=>C6H112-4  2.50E+11   0.50  2620
C6H101-4+H<=>C6H111-4  2.50E+11   0.50  2620
C6H101-4+H<=>C6H111-5  2.50E+11   0.50  2620
C6H101-4+H<=>C6H112-5  4.25E+11   0.50  1230
C6H101-4+H<=>C6H112-6  2.50E+11   0.50  2620
C6H101-5+H<=>C6H111-5  4.25E+11   0.50  1230
C6H101-5+H<=>C6H111-6  2.50E+11   0.50  2620
C6H101-3+O=>C5H91-3+HCO 2.000E+11 0.00 -1.050E+03
C6H101-4+O=>C5H92-5+HCO 2.000E+11 0.00 -1.050E+03
C6H101-5+O=>C5H91-5+HCO 2.000E+11 0.00 -1.050E+03
C6H101-3+OH=>C5H91-3+CH2O 1.000E+12 0.000 0.000E+00
C6H101-4+OH=>C5H92-5+CH2O 1.000E+12 0.000 0.000E+00
C6H101-5+OH=>C5H91-5+CH2O 1.000E+12 0.000 0.000E+00
C6H101-3+OH=>C2H3+C4H6+H2O  2.764E+04 2.64 -1.919E+03
C6H101-4+OH=>C2H3+C4H6+H2O  2.764E+04 2.64 -1.919E+03
C6H101-5+OH=>C2H3+C4H6+H2O  2.764E+04 2.64 -1.919E+03
C6H101-3+HO2=>C2H3+C4H6+H2O2  4.820E+03 2.55 1.053E+04
C6H101-4+HO2=>C2H3+C4H6+H2O2  4.820E+03 2.55 1.053E+04
C6H101-5+HO2=>C2H3+C4H6+H2O2  4.820E+03 2.55 1.053E+04
C6H101-3+H=>C2H3+C4H6+H2  3.376E+05 2.36 2.070E+02
C6H101-4+H=>C2H3+C4H6+H2  3.376E+05 2.36 2.070E+02
C6H101-5+H=>C2H3+C4H6+H2  3.376E+05 2.36 2.070E+02
C6H12-1+OH<=>C6H12OH-1               1.000E+13 0.00 0.0000E+03   
C6H12OH-1+O2<=>O2C6H12OH-1           .600E+13    .000        .0   
O2C6H12OH-1<=>NC4H9CHO+CH2O+OH       1.00E+12 0.00 2.780E+04
C6H12-2+OH<=>C6H12OH-2               1.000E+13 0.00 0.0000E+03   
C6H12OH-2+O2<=>O2C6H12OH-2           .750E+13    .000        .0   
O2C6H12OH-2<=>NC3H7CHO+CH3CHO+OH       1.00E+12 0.00 2.780E+04
C6H12-3+OH<=>C6H12OH-3               1.000E+13 0.00 0.0000E+03   
C6H12OH-3+O2<=>O2C6H12OH-3           .750E+13    .000        .0   
O2C6H12OH-3<=>OH+C2H5CHO+C2H5CHO       2.00E+12 0.00 2.680E+04
C6H111-3+C6H12-2=C6H12-2+C6H112-4   7.900E+10 0.000 1.240E+04
C6H11O1-3<=>C2H3CHO+NC3H7 1.427E+20 -2.04 1.123E+04
REV/ 1.000E+11 0.00 9.600E+03 /
C6H11O1-3<=>NC3H7CHO+C2H3 2.400E+18 -1.63 2.341E+04
REV/ 1.000E+11 0.00 9.600E+03 /
C6H11O2-4<=>SC3H5CHO+C2H5 5.449E+19 -1.92 1.076E+04
REV/ 1.000E+11 0.00 9.600E+03 /
C6H11O2-4<=>C2H5CHO+C3H5-S 2.346E+22 -2.58 2.931E+04
REV/ 1.000E+11 0.00 9.600E+03 /
C6H13O2-1+HO2<=>C6H13O2H-1+O2 1.750E+10 0.00 -3.275E+03
REV/ 3.538E+13 -0.78 3.360E+04 /
C6H13O2-2+HO2<=>C6H13O2H-2+O2 1.750E+10 0.00 -3.275E+03
REV/ 4.447E+13 -0.81 3.364E+04 /
C6H13O2-3+HO2<=>C6H13O2H-3+O2 1.750E+10 0.00 -3.275E+03
REV/ 4.447E+13 -0.81 3.364E+04 /
C6H13O2-1+H2O2<=>C6H13O2H-1+HO2 2.400E+12 0.00 1.000E+04
REV/ 2.400E+12 0.00 1.000E+04 /
C6H13O2-2+H2O2<=>C6H13O2H-2+HO2 2.400E+12 0.00 1.000E+04
REV/ 2.400E+12 0.00 1.000E+04 /
C6H13O2-3+H2O2<=>C6H13O2H-3+HO2 2.400E+12 0.00 1.000E+04
REV/ 2.400E+12 0.00 1.000E+04 /
C6H13O2H-1<=>C6H13O-1+OH 1.000E+16 0.00 3.900E+04
REV/ 2.025E+07 1.93 -6.512E+03 /
C6H13O2H-2<=>C6H13O-2+OH 1.000E+16 0.00 3.900E+04
REV/ 5.977E+06 2.00 -6.892E+03 /
C6H13O2H-3<=>C6H13O-3+OH 1.000E+16 0.00 3.900E+04
REV/ 5.977E+06 2.00 -6.892E+03 /
C6H12OOH1-2O2<=>NC6KET12+OH 2.000E+11 0.00 2.640E+04
REV/ 2.607E-12 6.14 3.970E+04 /
C6H12OOH1-3O2<=>NC6KET13+OH 2.500E+10 0.00 2.140E+04
REV/ 8.825E+02 1.56 4.471E+04 /
C6H12OOH1-4O2<=>NC6KET14+OH 3.125E+09 0.00 1.935E+04
REV/ 1.103E+02 1.56 4.266E+04 /
C6H12OOH1-5O2<=>NC6KET15+OH 3.906E+08 0.00 2.255E+04
REV/ 1.379E+01 1.56 4.586E+04 /
C6H12OOH2-1O2<=>NC6KET21+OH 1.000E+11 0.00 2.385E+04
REV/ 2.253E+02 1.91 5.003E+04 /
C6H12OOH2-3O2<=>NC6KET23+OH 1.000E+11 0.00 2.385E+04
REV/ 1.156E+03 1.79 4.909E+04 /
C6H12OOH2-4O2<=>NC6KET24+OH 1.250E+10 0.00 1.785E+04
REV/ 4.618E+01 1.97 4.388E+04 /
C6H12OOH2-5O2<=>NC6KET25+OH 1.563E+09 0.00 1.605E+04
REV/ 5.774E+00 1.97 4.208E+04 /
C6H12OOH2-6O2<=>NC6KET26+OH 3.906E+08 0.00 2.255E+04
REV/ 1.939E+00 1.92 4.859E+04 /
C6H12OOH3-1O2<=>NC6KET31+OH 1.250E+10 0.00 1.785E+04
REV/ 5.308E+01 1.91 4.419E+04 /
C6H12OOH3-2O2<=>NC6KET32+OH 1.000E+11 0.00 2.385E+04
REV/ 7.384E+02 1.82 4.935E+04 /
C6H12OOH3-4O2<=>NC6KET34+OH 1.000E+11 0.00 2.385E+04
REV/ 7.384E+02 1.82 4.935E+04 /
C6H12OOH3-5O2<=>NC6KET35+OH 1.250E+10 0.00 1.785E+04
REV/ 3.503E+01 1.98 4.416E+04 /
C6H12OOH3-6O2<=>NC6KET36+OH 1.563E+09 0.00 1.605E+04
REV/ 6.638E+00 1.91 4.239E+04 /
NC6KET12<=>NC4H9CHO+HCO+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
NC6KET13<=>NC3H7CHO+CH2CHO+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
NC6KET14<=>C2H5CHO+CH2CH2CHO+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
NC6KET15<=>CH3CHO+C3H6CHO-1+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
NC6KET21<=>CH2O+NC4H9CO+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
NC6KET23<=>NC3H7CHO+CH3CO+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
NC6KET24<=>C2H5CHO+CH3COCH2+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
NC6KET25<=>CH3CHO+CH2CH2COCH3+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
NC6KET26<=>CH2O+C3H6COCH3-1+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
NC6KET31<=>CH2O+NC3H7COCH2+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
NC6KET32<=>CH3CHO+NC3H7CO+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
NC6KET34<=>C2H5CHO+C2H5CO+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
NC6KET35<=>CH3CHO+C2H5COCH2+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
NC6KET36<=>CH2O+C2H5COC2H4P+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
C6H12O2-5+OH<=>CH3CHO+C4H71-3+H2O 2.500E+12 0.00 0.000E+00
REV/ 0.000E+00 0.00 0.000E+00 /
C6H12O3-4+OH<=>C2H5CHO+C3H5-S+H2O 2.500E+12 0.00 0.000E+00
REV/ 0.000E+00 0.00 0.000E+00 /
C6H12O3-4+HO2<=>C2H5COC2H3+CH3+H2O2 5.000E+12 0.00 1.770E+04
REV/ 0.000E+00 0.00 0.000E+00 /
C6H12O2-5+HO2<=>CH3CHO+C4H71-3+H2O2 5.000E+12 0.00 1.770E+04
REV/ 0.000E+00 0.00 0.000E+00 /
C6H12O3-4+HO2<=>C2H5CHO+C3H5-S+H2O2 5.000E+12 0.00 1.770E+04
REV/ 0.000E+00 0.00 0.000E+00 /

NC4H9CHO+O2<=>NC4H9CO+HO2 2.000E+13 0.50 4.220E+04
REV/ 1.000E+07 0.00 4.000E+04 /
NC4H9CHO+OH<=>NC4H9CO+H2O 2.690E+10 0.76 -3.400E+02
REV/ 2.143E+10 0.73 3.124E+04 /
NC4H9CHO+H<=>NC4H9CO+H2 4.000E+13 0.00 4.200E+03
REV/ 1.800E+13 0.00 2.400E+04 /
NC4H9CHO+O<=>NC4H9CO+OH 5.000E+12 0.00 1.790E+03
REV/ 1.000E+12 0.00 1.900E+04 /
NC4H9CHO+HO2<=>NC4H9CO+H2O2 2.800E+12 0.00 1.360E+04
REV/ 1.000E+12 0.00 1.000E+04 /
NC4H9CHO+CH3<=>NC4H9CO+CH4 1.700E+12 0.00 8.440E+03
REV/ 1.500E+13 0.00 2.800E+04 /
NC4H9CHO+CH3O<=>NC4H9CO+CH3OH 1.150E+11 0.00 1.280E+03
REV/ 3.000E+11 0.00 1.800E+04 /
NC4H9CHO+CH3O2<=>NC4H9CO+CH3O2H 1.000E+12 0.00 9.500E+03
REV/ 2.500E+10 0.00 1.000E+04 /
NC4H9CHO+OH<=>C4H8CHO-1+H2O 5.270E+09 0.97 1.586E+03
REV/ 1.233E+09 0.95 2.104E+04 /
NC4H9CHO+OH<=>C4H8CHO-2+H2O 4.670E+07 1.61 -3.500E+01
REV/ 6.837E+05 1.93 2.192E+04 /
NC4H9CHO+OH<=>C4H8CHO-3+H2O 4.670E+07 1.61 -3.500E+01
REV/ 6.837E+05 1.93 2.192E+04 /
NC4H9CHO+OH<=>C4H8CHO-4+H2O 4.670E+07 1.61 -3.500E+01
REV/ 1.202E+09 1.34 2.887E+04 /
NC4H9CO<=>PC4H9+CO 1.000E+11 0.00 9.600E+03
REV/ 1.000E+11 0.00 0.000E+00 /
C4H8CHO-1<=>C2H4+CH2CH2CHO 5.984E+18 -1.60 3.043E+04
REV/ 2.500E+11 0.00 7.800E+03 /
C4H8CHO-2<=>C3H6+CH2CHO 2.984E+14 -0.76 2.332E+04
REV/ 1.000E+11 0.00 7.800E+03 /
C4H8CHO-3<=>C4H8-1+HCO 4.797E+14 -0.72 2.435E+04
REV/ 1.000E+11 0.00 7.800E+03 /
C4H8CHO-3<=>AC3H5CHO+CH3 3.643E+13 -0.36 3.033E+04
REV/ 1.000E+11 0.00 7.800E+03 /
C4H8CHO-4<=>C2H3CHO+C2H5 1.863E+18 -1.30 3.083E+04
REV/ 1.000E+11 0.00 7.800E+03 /
AC3H5CHO+CH3O2<=>C2H3CHCHO+CH3O2H 1.990E+12 0.00 1.705E+04
REV/ 1.939E+15 -0.72 2.009E+04 /
C2H3CHCHO+HO2=>C2H3CHO+HCO+OH 8.910E+12 0.00 0.000E+00  
NC3H7COCH3+OH<=>C3H6COCH3-1+H2O 2.065E+07 1.73 7.530E+02
REV/ 3.604E+06 1.75 2.017E+04 /
NC3H7COCH3+OH<=>C3H6COCH3-2+H2O 3.615E+07 1.64 -2.470E+02
REV/ 3.668E+05 2.01 2.166E+04 /
NC3H7COCH3+OH<=>C3H6COCH3-3+H2O 8.450E+11 0.00 -2.280E+02
REV/ 2.368E+13 -0.28 2.870E+04 /
NC3H7COCH3+HO2<=>C3H6COCH3-1+H2O2 2.380E+04 2.55 1.649E+04
REV/ 2.465E+04 2.24 4.442E+03 /
NC3H7COCH3+HO2<=>C3H6COCH3-2+H2O2 5.600E+12 0.00 1.770E+04
REV/ 3.373E+11 0.05 8.142E+03 /
NC3H7COCH3+HO2<=>C3H6COCH3-3+H2O2 2.000E+11 0.00 8.698E+03
REV/ 3.327E+13 -0.60 6.160E+03 /
NC3H7COCH3+CH3O2<=>C3H6COCH3-1+CH3O2H 3.010E+12 0.00 1.938E+04
REV/ 1.281E+13 -0.49 6.607E+03 /
NC3H7COCH3+CH3O2<=>C3H6COCH3-2+CH3O2H 1.990E+12 0.00 1.705E+04
REV/ 4.926E+11 -0.13 6.774E+03 /
NC3H7COCH3+CH3O2<=>C3H6COCH3-3+CH3O2H 2.000E+12 0.00 1.525E+04
REV/ 1.367E+15 -0.78 1.199E+04 /
NC3H7COCH3+CH3O2<=>NC3H7COCH2+CH3O2H 3.010E+12 0.00 1.758E+04
REV/ 1.337E+16 -1.25 1.193E+04 /
C3H6COCH3-1<=>C2H4+CH3COCH2 2.904E+16 -1.21 2.700E+04
REV/ 1.000E+11 0.00 8.600E+03 /
C3H6COCH3-2<=>C3H6+CH3CO 2.719E+16 -1.05 2.559E+04
REV/ 1.000E+11 0.00 7.800E+03 /
C3H6COCH3-3<=>C2H3COCH3+CH3 9.615E+15 -0.75 3.239E+04
REV/ 1.000E+11 0.00 7.800E+03 /
C2H5COC2H5+OH<=>C2H5COC2H4P+H2O 1.054E+10 0.97 1.586E+03
REV/ 1.194E+09 0.95 2.103E+04 /
C2H5COC2H5+OH<=>C2H5COC2H4S+H2O 1.690E+12 0.00 -2.280E+02
REV/ 3.296E+13 -0.32 2.874E+04 /
C2H5COC2H5+HO2<=>C2H5COC2H4P+H2O2 4.760E+04 2.55 1.649E+04
REV/ 3.201E+04 2.20 4.472E+03 /
C2H5COC2H5+HO2<=>C2H5COC2H4S+H2O2 4.000E+11 0.00 8.698E+03
REV/ 4.631E+13 -0.65 6.200E+03 /
C2H5COC2H5+O2<=>C2H5COC2H4P+HO2 4.100E+13 0.00 5.131E+04
REV/ 1.949E+10 0.31 -1.882E+03 /
C2H5COC2H5+O2<=>C2H5COC2H4S+HO2 3.100E+13 0.00 4.197E+04
REV/ 2.537E+12 0.00 -1.702E+03 /
C2H5COC2H5+H<=>C2H5COC2H4P+H2 1.832E+07 2.00 7.700E+03
REV/ 4.794E+05 1.98 1.199E+04 /
C2H5COC2H5+H<=>C2H5COC2H4S+H2 8.960E+06 2.00 3.200E+03
REV/ 4.036E+07 1.68 1.701E+04 /
C2H5COC2H5+C2H3<=>C2H5COC2H4P+C2H4 1.000E+12 0.00 1.040E+04
REV/ 3.850E+08 0.81 1.404E+04 /
C2H5COC2H5+C2H3<=>C2H5COC2H4S+C2H4 6.000E+11 0.00 5.600E+03
REV/ 3.976E+10 0.50 1.876E+04 /
C2H5COC2H5+C2H5<=>C2H5COC2H4P+C2H6 1.000E+11 0.00 1.340E+04
REV/ 1.070E+13 -0.58 1.400E+04 /
C2H5COC2H5+C2H5<=>C2H5COC2H4S+C2H6 6.000E+10 0.00 8.600E+03
REV/ 1.105E+15 -0.89 1.872E+04 /
C2H5COC2H5+CH3O<=>C2H5COC2H4P+CH3OH 4.340E+11 0.00 6.460E+03
REV/ 5.475E+09 0.00 9.020E+03 /
C2H5COC2H5+CH3O<=>C2H5COC2H4S+CH3OH 2.900E+11 0.00 2.771E+03
REV/ 6.298E+11 -0.30 1.485E+04 /
C2H5COC2H5+CH3O2<=>C2H5COC2H4P+CH3O2H 6.020E+12 0.00 1.938E+04
REV/ 1.664E+13 -0.52 6.642E+03 /
C2H5COC2H5+CH3O2<=>C2H5COC2H4S+CH3O2H 4.000E+12 0.00 1.525E+04
REV/ 1.903E+15 -0.83 1.203E+04 /
C2H5COC2H4P<=>C2H5CO+C2H4 1.769E+17 -1.46 2.954E+04
REV/ 8.000E+10 0.00 1.130E+04 /
C2H5COC2H4S<=>C2H5COC2H3+H 8.704E+16 -0.82 4.213E+04
REV/ 1.300E+13 0.00 1.560E+03 /
C2H5COC2H3+OH<=>C2H5COCH2+CH2O 1.000E+10 0.00 0.000E+00
REV/ 1.673E+11 -0.39 1.822E+04 /
C2H5COC2H3+OH<=>PC2H4COC2H3+H2O 7.550E+09 0.97 1.586E+03
REV/ 1.285E+08 2.53 2.021E+04 /
C2H5COC2H3+OH<=>SC2H4COC2H3+H2O 8.450E+11 0.00 -2.280E+02
REV/ 1.350E+13 -0.20 2.860E+04 /
C2H5COC2H3+HO2<=>C2H5CO+CH2CHO+OH 6.030E+09 0.00 7.949E+03
REV/ 1.000E+00 0.00 0.000E+00 /
C2H5COC2H3+HO2<=>PC2H4COC2H3+H2O2 2.380E+04 2.55 1.649E+04
REV/ 2.405E+03 3.78 3.652E+03 /
C2H5COC2H3+HO2<=>SC2H4COC2H3+H2O2 2.000E+11 0.00 8.698E+03
REV/ 1.896E+13 -0.53 6.065E+03 /
C2H5COC2H3+CH3O2<=>C2H5CO+CH2CHO+CH3O 3.970E+11 0.00 1.705E+04
REV/ 1.000E+00 0.00 0.000E+00 /
C2H5COC2H3+CH3O2<=>PC2H4COC2H3+CH3O2H 3.010E+12 0.00 1.938E+04
REV/ 1.250E+12 1.06 5.822E+03 /
C2H5COC2H3+CH3O2<=>SC2H4COC2H3+CH3O2H 2.000E+12 0.00 1.525E+04
REV/ 7.793E+14 -0.71 1.190E+04 /
PC2H4COC2H3<=>C2H3CO+C2H4 5.263E+14 0.38 2.146E+04
REV/ 8.000E+10 0.00 1.130E+04 /
SC2H4COC2H3<=>CH3CHCO+C2H3 1.637E+16 -0.74 5.459E+04
REV/ 8.000E+10 0.00 1.260E+04 /
NC7H16(+M)<=>C6H13-1+CH3(+M) 4.325E+24 -2.12 8.990E+04
LOW / 4.9630E+42 -7.7800E+00 4.2800E+04 / 
TROE / 8.9200E-01 1.0000E+10 2.2280E+00 1.7980E+09 / 
NC7H16(+M)<=>C5H11-1+C2H5(+M) 6.818E+26 -2.70 8.891E+04
LOW / 3.7530E+48 -9.4600E+00 4.1310E+04 / 
TROE / 9.0000E-02 3.6556E+00 1.0000E+10 9.3300E+09 / 
NC7H16(+M)<=>PC4H9+NC3H7(+M) 1.362E+26 -2.53 8.876E+04
LOW / 6.5090E+48 -9.5700E+00 4.1290E+04 / 
TROE / 9.1100E-01 1.0000E+10 2.2382E+01 5.0000E+09 / 
NC7H16+C7H15O2-1<=>C7H15-1+C7H15O2H-1 1.210E+13 0.00 2.043E+04
REV/ 1.440E+10 0.00 1.500E+04 /
NC7H16+C7H15O2-2<=>C7H15-1+C7H15O2H-2 1.210E+13 0.00 2.043E+04
REV/ 1.440E+10 0.00 1.500E+04 /
NC7H16+C7H15O2-3<=>C7H15-1+C7H15O2H-3 1.210E+13 0.00 2.043E+04
REV/ 1.440E+10 0.00 1.500E+04 /
NC7H16+C7H15O2-4<=>C7H15-1+C7H15O2H-4 1.210E+13 0.00 2.043E+04
REV/ 1.440E+10 0.00 1.500E+04 /
NC7H16+C7H15O2-1<=>C7H15-2+C7H15O2H-1 8.064E+12 0.00 1.770E+04
REV/ 1.440E+10 0.00 1.500E+04 /
NC7H16+C7H15O2-2<=>C7H15-2+C7H15O2H-2 8.064E+12 0.00 1.770E+04
REV/ 1.440E+10 0.00 1.500E+04 /
NC7H16+C7H15O2-3<=>C7H15-2+C7H15O2H-3 8.064E+12 0.00 1.770E+04
REV/ 1.440E+10 0.00 1.500E+04 /
NC7H16+C7H15O2-4<=>C7H15-2+C7H15O2H-4 8.064E+12 0.00 1.770E+04
REV/ 1.440E+10 0.00 1.500E+04 /
NC7H16+C7H15O2-1<=>C7H15-3+C7H15O2H-1 8.064E+12 0.00 1.770E+04
REV/ 1.440E+10 0.00 1.500E+04 /
NC7H16+C7H15O2-2<=>C7H15-3+C7H15O2H-2 8.064E+12 0.00 1.770E+04
REV/ 1.440E+10 0.00 1.500E+04 /
NC7H16+C7H15O2-3<=>C7H15-3+C7H15O2H-3 8.064E+12 0.00 1.770E+04
REV/ 1.440E+10 0.00 1.500E+04 /
NC7H16+C7H15O2-4<=>C7H15-3+C7H15O2H-4 8.064E+12 0.00 1.770E+04
REV/ 1.440E+10 0.00 1.500E+04 /
NC7H16+C7H15O2-1<=>C7H15-4+C7H15O2H-1 4.032E+12 0.00 1.770E+04
REV/ 1.440E+10 0.00 1.500E+04 /
NC7H16+C7H15O2-2<=>C7H15-4+C7H15O2H-2 4.032E+12 0.00 1.770E+04
REV/ 1.440E+10 0.00 1.500E+04 /
NC7H16+C7H15O2-3<=>C7H15-4+C7H15O2H-3 4.032E+12 0.00 1.770E+04
REV/ 1.440E+10 0.00 1.500E+04 /
NC7H16+C7H15O2-4<=>C7H15-4+C7H15O2H-4 4.032E+12 0.00 1.770E+04
REV/ 1.440E+10 0.00 1.500E+04 /
NC7H16+C7H15-1<=>C7H15-2+NC7H16 1.000E+11 0.00 1.040E+04
REV/ 1.500E+11 0.00 1.230E+04 /
NC7H16+C7H15-1<=>C7H15-3+NC7H16 1.000E+11 0.00 1.040E+04
REV/ 1.500E+11 0.00 1.230E+04 /
NC7H16+C7H15-1<=>C7H15-4+NC7H16 5.000E+10 0.00 1.040E+04
REV/ 1.500E+11 0.00 1.230E+04 /
NC7H16+C7H15-2<=>C7H15-3+NC7H16 1.000E+11 0.00 1.040E+04
REV/ 1.000E+11 0.00 1.040E+04 /
NC7H16+C7H15-2<=>C7H15-4+NC7H16 5.000E+10 0.00 1.040E+04
REV/ 1.000E+11 0.00 1.040E+04 /
NC7H16+C7H15-3<=>C7H15-4+NC7H16 5.000E+10 0.00 1.040E+04
REV/ 1.000E+11 0.00 1.040E+04 /
C7H15-1<=>C5H11-1+C2H4 1.227E+19  -1.91  3.140E+04
REV/ 1.000E+11 0.00 8.200E+03 /
C7H15-2<=>PC4H9+C3H6 9.764E+18  -1.79  3.136E+04
REV/ 1.000E+11 0.00 8.200E+03 /
C7H15-3<=>C4H8-1+NC3H7 6.165E+18  -1.71  3.096E+04
REV/ 1.000E+11 0.00 7.700E+03 /
C7H15-3<=>C6H12-1+CH3 2.698E+17  -1.35  3.148E+04
REV/ 1.750E+11 0.00 7.200E+03 /
C7H15-4<=>C2H5+C5H10-1 1.143E+18  -1.34  3.143E+04
REV/ 1.000E+11 0.00 8.200E+03 /
C7H131-3+HO2<=>C7H13O1-3+OH 9.640E+12 0.00 0.000E+00
REV/ 4.435E+15 -1.02 1.540E+04 /
C7H131-3+CH3O2<=>C7H13O1-3+CH3O 9.640E+12 0.00 0.000E+00
REV/ 4.332E+17 -1.60 2.016E+04 /
C7H131-3+C2H5O2<=>C7H13O1-3+C2H5O 9.640E+12 0.00 0.000E+00
REV/ 2.836E+14 -0.68 1.800E+04 /
C7H131-3<=>C4H6+NC3H7 1.105E+19 -1.53 4.070E+04
REV/ 8.500E+10 0.00 8.300E+03 /
C7H131-4<=>C5H10-1+C2H3 2.492E+12 0.03 3.730E+04
REV/ 8.500E+10 0.00 8.300E+03 /
C7H131-4<=>C5H81-3+C2H5 2.289E+14 -0.68 2.205E+04
REV/ 8.500E+10 0.00 8.300E+03 /
C7H132-4+HO2<=>C7H13O2-4+OH 9.640E+12 0.00 0.000E+00
REV/ 4.273E+15 -1.02 1.543E+04 /
C7H132-4+CH3O2<=>C7H13O2-4+CH3O 9.640E+12 0.00 0.000E+00
REV/ 4.173E+17 -1.59 2.019E+04 /
C7H132-4+C2H5O2<=>C7H13O2-4+C2H5O 9.640E+12 0.00 0.000E+00
REV/ 2.732E+14 -0.67 1.803E+04 /
C7H132-5<=>C4H8-1+C3H5-S 9.419E+17 -1.49 4.426E+04
REV/ 1.000E+11 0.00 8.300E+03 /
C7H133-1<=>C2H4+C5H91-1 1.007E+17 -1.32 4.399E+04
REV/ 1.000E+11 0.00 8.300E+03 /
C7H133-5+HO2<=>C7H13O3-5+OH 9.640E+12 0.00 0.000E+00
REV/ 1.182E+15 -0.84 1.527E+04 /
C7H133-5+CH3O2<=>C7H13O3-5+CH3O 9.640E+12 0.00 0.000E+00
REV/ 1.155E+17 -1.42 2.003E+04 /
C7H133-5+C2H5O2<=>C7H13O3-5+C2H5O 9.640E+12 0.00 0.000E+00
REV/ 7.559E+13 -0.50 1.787E+04 /
C7H133-6<=>C3H6+C4H71-1 1.354E+16 -0.92 4.356E+04
REV/ 1.000E+11 0.00 8.300E+03 /
C7H13O1-3<=>C2H3CHO+PC4H9 9.625E+19 -1.96 1.085E+04
REV/ 1.000E+11 0.00 9.600E+03 /
C7H13O1-3<=>NC4H9CHO+C2H3 1.026E+18 -1.51 2.330E+04
REV/ 1.000E+11 0.00 9.600E+03 /
C7H13O2-4<=>SC3H5CHO+NC3H7 6.319E+19 -1.93 1.113E+04
REV/ 1.000E+11 0.00 9.600E+03 /
C7H13O2-4<=>NC3H7CHO+C3H5-S 1.012E+22 -2.46 2.919E+04
REV/ 1.000E+11 0.00 9.600E+03 /
C7H13O3-5<=>C4H7CHO1-1+C2H5 6.033E+18 -1.62 1.045E+04
REV/ 1.000E+11 0.00 9.600E+03 /
C7H13O3-5<=>C2H5CHO+C4H71-1 6.425E+21 -2.43 3.009E+04
REV/ 1.000E+11 0.00 9.600E+03 /
C7H14-1+OH<=>CH2O+C6H13-1 1.000E+11 0.00 -4.000E+03
REV/ 0.000E+00 0.00 0.000E+00 /
C7H14-1+OH<=>CH3CHO+C5H11-1 1.000E+11 0.00 -4.000E+03
REV/ 0.000E+00 0.00 0.000E+00 /
C7H14-2+OH<=>CH3CHO+C5H11-1 1.000E+11 0.00 -4.000E+03
REV/ 0.000E+00 0.00 0.000E+00 /
C7H14-2+OH<=>C2H5CHO+PC4H9 1.000E+11 0.00 -4.000E+03
REV/ 0.000E+00 0.00 0.000E+00 /
C7H14-3+OH<=>C2H5CHO+PC4H9 1.000E+11 0.00 -4.000E+03
REV/ 0.000E+00 0.00 0.000E+00 /
C7H14-2+O<=>CH3CHO+C5H10-1 1.000E+11 0.00 -1.050E+03
REV/ 0.000E+00 0.00 0.000E+00 /
C7H14-3+O<=>CH3CHO+C5H10-1 1.000E+11 0.00 -1.050E+03
REV/ 0.000E+00 0.00 0.000E+00 /
C7H15O2-1<=>C7H15-1+O2 2.657E+20 -1.67 3.540E+04
REV/ 4.520E+12 0.00 0.000E+00 /
C7H15O2-2<=>C7H15-2+O2 1.357E+23 -2.36 3.767E+04
REV/ 7.540E+12 0.00 0.000E+00 /
C7H15O2-3<=>C7H15-3+O2 1.357E+23 -2.36 3.767E+04
REV/ 7.540E+12 0.00 0.000E+00 /
C7H15O2-4<=>C7H15-4+O2 1.357E+23 -2.36 3.767E+04
REV/ 7.540E+12 0.00 0.000E+00 /
C7H15-1+C7H15O2-1<=>C7H15O-1+C7H15O-1 7.000E+12 0.00 -1.000E+03
REV/ 1.116E+14  -0.23  3.025E+04 /
C7H15-1+C7H15O2-2<=>C7H15O-1+C7H15O-2 7.000E+12 0.00 -1.000E+03
REV/ 6.348E+13  -0.16  2.988E+04 /
C7H15-1+C7H15O2-3<=>C7H15O-1+C7H15O-3 7.000E+12 0.00 -1.000E+03
REV/ 6.348E+13  -0.16  2.988E+04 /
C7H15-1+C7H15O2-4<=>C7H15O-1+C7H15O-4 7.000E+12 0.00 -1.000E+03
REV/ 6.348E+13  -0.16  2.988E+04 /
C7H15-2+C7H15O2-1<=>C7H15O-2+C7H15O-1 7.000E+12 0.00 -1.000E+03
REV/ 9.689E+15 -0.80 3.216E+04 /
C7H15-2+C7H15O2-2<=>C7H15O-2+C7H15O-2 7.000E+12 0.00 -1.000E+03
REV/ 5.510E+15 -0.73 3.179E+04 /
C7H15-2+C7H15O2-3<=>C7H15O-2+C7H15O-3 7.000E+12 0.00 -1.000E+03
REV/ 5.510E+15 -0.73 3.179E+04 /
C7H15-2+C7H15O2-4<=>C7H15O-2+C7H15O-4 7.000E+12 0.00 -1.000E+03
REV/ 5.510E+15 -0.73 3.179E+04 /
C7H15-3+C7H15O2-1<=>C7H15O-3+C7H15O-1 7.000E+12 0.00 -1.000E+03
REV/ 9.689E+15 -0.80 3.216E+04 /
C7H15-3+C7H15O2-2<=>C7H15O-3+C7H15O-2 7.000E+12 0.00 -1.000E+03
REV/ 5.510E+15 -0.73 3.179E+04 /
C7H15-3+C7H15O2-3<=>C7H15O-3+C7H15O-3 7.000E+12 0.00 -1.000E+03
REV/ 5.510E+15 -0.73 3.179E+04 /
C7H15-3+C7H15O2-4<=>C7H15O-3+C7H15O-4 7.000E+12 0.00 -1.000E+03
REV/ 5.510E+15 -0.73 3.179E+04 /
C7H15-4+C7H15O2-1<=>C7H15O-4+C7H15O-1 7.000E+12 0.00 -1.000E+03
REV/ 9.689E+15 -0.80 3.216E+04 /
C7H15-4+C7H15O2-2<=>C7H15O-4+C7H15O-2 7.000E+12 0.00 -1.000E+03
REV/ 5.510E+15 -0.73 3.179E+04 /
C7H15-4+C7H15O2-3<=>C7H15O-4+C7H15O-3 7.000E+12 0.00 -1.000E+03
REV/ 5.510E+15 -0.73 3.179E+04 /
C7H15-4+C7H15O2-4<=>C7H15O-4+C7H15O-4 7.000E+12 0.00 -1.000E+03
REV/ 5.511E+15 -0.73 3.179E+04 /
C7H15-1+HO2<=>C7H15O-1+OH 7.000E+12 0.00 -1.000E+03
REV/ 3.549E+15  -0.57  2.616E+04 /
C7H15-2+HO2<=>C7H15O-2+OH 7.000E+12 0.00 -1.000E+03
REV/ 3.081E+17 -1.15 2.807E+04 /
C7H15-3+HO2<=>C7H15O-3+OH 7.000E+12 0.00 -1.000E+03
REV/ 3.081E+17 -1.15 2.807E+04 /
C7H15-4+HO2<=>C7H15O-4+OH 7.000E+12 0.00 -1.000E+03
REV/ 3.081E+17 -1.15 2.807E+04 /
C7H15-1+CH3O2<=>C7H15O-1+CH3O 7.000E+12 0.00 -1.000E+03
REV/ 2.220E+14  -0.28  3.040E+04 /
C7H15-2+CH3O2<=>C7H15O-2+CH3O 7.000E+12 0.00 -1.000E+03
REV/ 1.927E+16 -0.85 3.231E+04 /
C7H15-3+CH3O2<=>C7H15O-3+CH3O 7.000E+12 0.00 -1.000E+03
REV/ 1.927E+16 -0.85 3.231E+04 /
C7H15-4+CH3O2<=>C7H15O-4+CH3O 7.000E+12 0.00 -1.000E+03
REV/ 1.927E+16 -0.85 3.231E+04 /
C7H15O2-1<=>C7H14-1+HO2 10.044E+38 -8.11 4.149E+04
REV/ 9.291E+29 -6.22 2.086E+04 /
C7H15O2-2<=>C7H14-1+HO2 10.075E+42 -9.41 4.249E+04
REV/ 9.596E+32 -7.21 1.707E+04 /
C7H15O2-2<=>C7H14-2+HO2 10.044E+38 -8.11 4.149E+04
REV/ 4.708E+28 -5.74 1.894E+04 /
C7H15O2-3<=>C7H14-2+HO2 10.044E+38 -8.11 4.149E+04
REV/ 4.708E+28 -5.74 1.894E+04 /
C7H15O2-3<=>C7H14-3+HO2 10.044E+38 -8.11 4.149E+04
REV/ 6.323E+28 -5.80 1.885E+04 /
C7H15O2-4<=>C7H14-3+HO2 2.009E+39 -8.11 4.149E+04
REV/ 6.348E+28 -5.80 1.885E+04 /
C7H15O2-1<=>C7H14OOH1-2 2.000E+11 0.00 2.645E+04
C7H15O2-1<=>C7H14OOH1-3 2.500E+10 0.00 2.045E+04
C7H15O2-1<=>C7H14OOH1-4 3.125E+09 0.00 1.865E+04
C7H15O2-1<=>C7H14OOH1-5 3.906E+08 0.00 2.165E+04
C7H15O2-2<=>C7H14OOH2-1 3.000E+11 0.00 2.900E+04
C7H15O2-2<=>C7H14OOH2-3 2.000E+11 0.00 2.645E+04
C7H15O2-2<=>C7H14OOH2-4 2.500E+10 0.00 2.045E+04
C7H15O2-2<=>C7H14OOH2-5 3.125E+09 0.00 1.865E+04
C7H15O2-2<=>C7H14OOH2-6 3.906E+08 0.00 2.165E+04
C7H15O2-3<=>C7H14OOH3-1 3.750E+10 0.00 2.400E+04
C7H15O2-3<=>C7H14OOH3-2 2.000E+11 0.00 2.645E+04
C7H15O2-3<=>C7H14OOH3-4 2.000E+11 0.00 2.645E+04
C7H15O2-3<=>C7H14OOH3-5 2.500E+10 0.00 2.045E+04
C7H15O2-3<=>C7H14OOH3-6 3.125E+09 0.00 1.865E+04
C7H15O2-3<=>C7H14OOH3-7 5.860E+08 0.00 2.515E+04
C7H15O2-4<=>C7H14OOH4-1 9.376E+09 0.00 2.195E+04
C7H15O2-4<=>C7H14OOH4-2 5.000E+10 0.00 2.045E+04
C7H15O2-4<=>C7H14OOH4-3 4.000E+11 0.00 2.645E+04
C7H15O2-1+HO2<=>C7H15O2H-1+O2 1.750E+10 0.00 -3.275E+03
REV/ 3.782E+13 -0.79 3.401E+04 /
C7H15O2-2+HO2<=>C7H15O2H-2+O2 1.750E+10 0.00 -3.275E+03
REV/ 4.496E+13 -0.82 3.404E+04 /
C7H15O2-3+HO2<=>C7H15O2H-3+O2 1.750E+10 0.00 -3.275E+03
REV/ 4.496E+13 -0.82 3.404E+04 /
C7H15O2-4+HO2<=>C7H15O2H-4+O2 1.750E+10 0.00 -3.275E+03
REV/ 4.497E+13 -0.82 3.404E+04 /
H2O2+C7H15O2-1<=>HO2+C7H15O2H-1 2.400E+12 0.00 1.000E+04
REV/ 2.400E+12 0.00 1.000E+04 /
H2O2+C7H15O2-2<=>HO2+C7H15O2H-2 2.400E+12 0.00 1.000E+04
REV/ 2.400E+12 0.00 1.000E+04 /
H2O2+C7H15O2-3<=>HO2+C7H15O2H-3 2.400E+12 0.00 1.000E+04
REV/ 2.400E+12 0.00 1.000E+04 /
H2O2+C7H15O2-4<=>HO2+C7H15O2H-4 2.400E+12 0.00 1.000E+04
REV/ 2.400E+12 0.00 1.000E+04 /
C7H15O2-1+CH3O2<=>C7H15O-1+CH3O+O2 1.400E+16 -1.61 1.860E+03
REV/ 0.000E+00 0.00 0.000E+00 /
C7H15O2-2+CH3O2<=>C7H15O-2+CH3O+O2 1.400E+16 -1.61 1.860E+03
REV/ 0.000E+00 0.00 0.000E+00 /
C7H15O2-3+CH3O2<=>C7H15O-3+CH3O+O2 1.400E+16 -1.61 1.860E+03
REV/ 0.000E+00 0.00 0.000E+00 /
C7H15O2-4+CH3O2<=>C7H15O-4+CH3O+O2 1.400E+16 -1.61 1.860E+03
REV/ 0.000E+00 0.00 0.000E+00 /
C7H15O2-1+C7H15O2-1<=>O2+C7H15O-1+C7H15O-1 1.400E+16 -1.61 1.860E+03
REV/ 0.000E+00 0.00 0.000E+00 /
C7H15O2-1+C7H15O2-2<=>C7H15O-1+C7H15O-2+O2 1.400E+16 -1.61 1.860E+03
REV/ 0.000E+00 0.00 0.000E+00 /
C7H15O2-1+C7H15O2-3<=>C7H15O-1+C7H15O-3+O2 1.400E+16 -1.61 1.860E+03
REV/ 0.000E+00 0.00 0.000E+00 /
C7H15O2-1+C7H15O2-4<=>C7H15O-1+C7H15O-4+O2 1.400E+16 -1.61 1.860E+03
REV/ 0.000E+00 0.00 0.000E+00 /
C7H15O2-2+C7H15O2-2<=>O2+C7H15O-2+C7H15O-2 1.400E+16 -1.61 1.860E+03
REV/ 0.000E+00 0.00 0.000E+00 /
C7H15O2-2+C7H15O2-3<=>C7H15O-2+C7H15O-3+O2 1.400E+16 -1.61 1.860E+03
REV/ 0.000E+00 0.00 0.000E+00 /
C7H15O2-2+C7H15O2-4<=>C7H15O-2+C7H15O-4+O2 1.400E+16 -1.61 1.860E+03
REV/ 0.000E+00 0.00 0.000E+00 /
C7H15O2-3+C7H15O2-3<=>O2+C7H15O-3+C7H15O-3 1.400E+16 -1.61 1.860E+03
REV/ 0.000E+00 0.00 0.000E+00 /
C7H15O2-3+C7H15O2-4<=>C7H15O-3+C7H15O-4+O2 1.400E+16 -1.61 1.860E+03
REV/ 0.000E+00 0.00 0.000E+00 /
C7H15O2-4+C7H15O2-4<=>O2+C7H15O-4+C7H15O-4 1.400E+16 -1.61 1.860E+03
REV/ 0.000E+00 0.00 0.000E+00 /
C7H15O2H-1<=>C7H15O-1+OH 1.000E+16 0.00 3.900E+04
REV/ 1.989E+07 1.93 -6.522E+03 /
C7H15O2H-2<=>C7H15O-2+OH 1.000E+16 0.00 3.900E+04
REV/ 9.517E+06 2.03 -6.922E+03 /
C7H15O2H-3<=>C7H15O-3+OH 1.000E+16 0.00 3.900E+04
REV/ 9.517E+06 2.03 -6.922E+03 /
C7H15O2H-4<=>C7H15O-4+OH 1.000E+16 0.00 3.900E+04
REV/ 9.516E+06 2.03 -6.922E+03 /
C7H15O-1<=>CH2O+C6H13-1 6.023E+20  -2.18  2.483E+04
REV/ 1.000E+11 0.00 1.190E+04 /
C7H15O-2<=>CH3CHO+C5H11-1 1.475E+22  -2.55  2.037E+04
REV/ 1.000E+11 0.00 1.290E+04 /
C7H15O-3<=>C2H5CHO+PC4H9 6.573E+17  -1.16  1.937E+04
REV/ 1.000E+11 0.00 1.290E+04 /
C7H15O-4<=>NC3H7CHO+NC3H7 4.769E+22  -2.58  2.182E+04
REV/ 1.000E+11 0.00 1.290E+04 /
C7H14OOH1-3<=>C4H7OOH1-4+NC3H7 1.609E+12   0.54  2.774E+04
REV/ 2.200E+03   2.48  6.130E+03 /
C7H14OOH1-4<=>C5H10-1+C2H4+HO2 1.446E+11   0.69  3.082E+04
REV/ 0.000E+00 0.00 0.000E+00 /
C7H14OOH1-4<=>C5H9OOH1-5+C2H5 1.721E+12   0.51  2.790E+04
REV/ 2.200E+03   2.48  6.130E+03 /
C7H14OOH2-4<=>C5H9OOH1-4+C2H5 4.080E+12   0.32  2.923E+04
REV/ 2.200E+03   2.48  6.130E+03 /
C7H14OOH2-5<=>C6H11OOH1-5+CH3 7.417E+10   0.75  3.026E+04
REV/ 2.200E+03   2.48  6.130E+03 /
C7H14OOH3-5<=>C6H11OOH1-4+CH3 7.417E+10   0.75  3.026E+04
REV/ 2.200E+03   2.48  6.130E+03 /
C7H14OOH1-2O2<=>NC7KET12+OH 2.000E+11 0.00 2.600E+04
C7H14OOH1-3O2<=>NC7KET13+OH 2.500E+10 0.00 2.100E+04
C7H14OOH1-4O2<=>NC7KET14+OH 3.125E+09 0.00 1.895E+04
C7H14OOH1-5O2<=>NC7KET15+OH 3.906E+08 0.00 2.215E+04
C7H14OOH2-1O2<=>NC7KET21+OH 1.000E+11 0.00 2.345E+04
C7H14OOH2-3O2<=>NC7KET23+OH 1.000E+11 0.00 2.345E+04
C7H14OOH2-4O2<=>NC7KET24+OH 1.250E+10 0.00 1.745E+04
C7H14OOH2-5O2<=>NC7KET25+OH 1.563E+09 0.00 1.565E+04
C7H14OOH2-6O2<=>NC7KET26+OH 1.953E+08 0.00 1.865E+04
C7H14OOH3-1O2<=>NC7KET31+OH 1.250E+10 0.00 1.745E+04
C7H14OOH3-2O2<=>NC7KET32+OH 1.000E+11 0.00 2.345E+04
C7H14OOH3-4O2<=>NC7KET34+OH 1.000E+11 0.00 2.345E+04
C7H14OOH3-5O2<=>NC7KET35+OH 1.250E+10 0.00 1.745E+04
C7H14OOH3-6O2<=>NC7KET36+OH 1.563E+09 0.00 1.565E+04
C7H14OOH3-7O2<=>NC7KET37+OH 1.953E+08 0.00 1.865E+04
C7H14OOH4-1O2<=>NC7KET41+OH 1.563E+09 0.00 1.565E+04
C7H14OOH4-2O2<=>NC7KET42+OH 1.250E+10 0.00 1.745E+04
C7H14OOH4-3O2<=>NC7KET43+OH 1.000E+11 0.00 2.345E+04
NC7KET12<=>NC5H11CHO+HCO+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
NC7KET13<=>NC4H9CHO+CH2CHO+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
NC7KET14<=>NC3H7CHO+CH2CH2CHO+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
NC7KET15<=>C2H5CHO+C3H6CHO-1+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
NC7KET21<=>CH2O+NC5H11CO+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
NC7KET23<=>NC4H9CHO+CH3CO+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
NC7KET24<=>NC3H7CHO+CH3COCH2+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
NC7KET25<=>C2H5CHO+CH2CH2COCH3+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
NC7KET26<=>CH3CHO+C3H6COCH3-1+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
NC7KET31<=>CH2O+NC4H9COCH2+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
NC7KET32<=>CH3CHO+NC4H9CO+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
NC7KET34<=>NC3H7CHO+C2H5CO+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
NC7KET35<=>C2H5CHO+C2H5COCH2+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
NC7KET36<=>CH3CHO+C2H5COC2H4P+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
NC7KET37<=>CH2O+C3H6COC2H5-1+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
NC7KET41<=>CH2O+NC3H7COC2H4P+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
NC7KET42<=>CH3CHO+NC3H7COCH2+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
NC7KET43<=>C2H5CHO+NC3H7CO+OH 1.000E+16 0.00 3.900E+04
REV/ 0.000E+00 0.00 0.000E+00 /
C7H14O3-4+OH<=>C2H5COC2H3+C2H5+H2O 2.500E+12 0.00 0.000E+00
REV/ 0.000E+00 0.00 0.000E+00 /
C7H14O1-3+OH<=>C2H4+NC4H9CO+H2O 2.500E+12 0.00 0.000E+00
REV/ 0.000E+00 0.00 0.000E+00 /
C7H14O1-5+OH<=>C2H4+C2H5COC2H4P+H2O 2.500E+12 0.00 0.000E+00
REV/ 0.000E+00 0.00 0.000E+00 /
C7H14O2-3+OH<=>CH3CHCO+PC4H9+H2O 2.500E+12 0.00 0.000E+00
REV/ 0.000E+00 0.00 0.000E+00 /
C7H14O2-6+OH<=>CH3CHO+C5H91-4+H2O 2.500E+12 0.00 0.000E+00
REV/ 0.000E+00 0.00 0.000E+00 /
C7H14O3-5+OH<=>C2H5CHO+C4H71-2+H2O 2.500E+12 0.00 0.000E+00
REV/ 0.000E+00 0.00 0.000E+00 /
C7H14O3-4+HO2<=>C2H5COC2H3+C2H5+H2O2 5.000E+12 0.00 1.770E+04
REV/ 0.000E+00 0.00 0.000E+00 /
C7H14O1-3+HO2<=>C2H4+NC4H9CO+H2O2 5.000E+12 0.00 1.770E+04
REV/ 0.000E+00 0.00 0.000E+00 /
C7H14O1-5+HO2<=>C2H4+C2H5COC2H4P+H2O2 5.000E+12 0.00 1.770E+04
REV/ 0.000E+00 0.00 0.000E+00 /
C7H14O2-3+HO2<=>CH3CHCO+PC4H9+H2O2 5.000E+12 0.00 1.770E+04
REV/ 0.000E+00 0.00 0.000E+00 /
C7H14O2-6+HO2<=>CH3CHO+C5H91-4+H2O2 5.000E+12 0.00 1.770E+04
REV/ 0.000E+00 0.00 0.000E+00 /
C7H14O3-5+HO2<=>C2H5CHO+C4H71-2+H2O2 5.000E+12 0.00 1.770E+04
REV/ 0.000E+00 0.00 0.000E+00 /
C7H14OH-1<=>C7H14-1+OH 5.430E+14 -0.53 2.783E+04
REV/ 1.000E+12 0.00 -1.042E+03 /
O2C7H14OH-1<=>C7H14OH-1+O2 2.983E+21 -1.98 3.782E+04
REV/ 2.000E+12 0.00 0.000E+00 /
O2C7H14OH-1<=>NC5H11CHO+CH2O+OH 2.500E+10 0.00 1.886E+04
REV/ 0.000E+00 0.00 0.000E+00 /
C7H14OH-2<=>C7H14-2+OH 1.044E+16 -1.00 2.940E+04
REV/ 1.000E+12 0.00 -1.042E+03 /
O2C7H14OH-2<=>C7H14OH-2+O2 4.775E+21 -2.06 3.786E+04
REV/ 2.000E+12 0.00 0.000E+00 /
O2C7H14OH-1<=>NC4H9CHO+CH3CHO+OH 2.500E+10 0.00 1.886E+04
REV/ 0.000E+00 0.00 0.000E+00 /
C7H14OH-3<=>C7H14-3+OH 7.773E+15 -0.93 2.949E+04
REV/ 1.000E+12 0.00 -1.042E+03 /
O2C7H14OH-3<=>C7H14OH-3+O2 4.775E+21 -2.06 3.786E+04
REV/ 2.000E+12 0.00 0.000E+00 /
O2C7H14OH-3<=>NC3H7CHO+C2H5CHO+OH 2.500E+10 0.00 1.886E+04
REV/ 0.000E+00 0.00 0.000E+00 /
NC5H11CHO+CH3O<=>NC5H11CO+CH3OH 1.150E+11 0.00 1.280E+03
REV/ 3.000E+11 0.00 1.800E+04 /
NC5H11CHO+OH<=>C5H10CHO-1+H2O 5.270E+09 0.97 1.586E+03
REV/ 1.071E+09 0.96 2.101E+04 /
NC5H11CHO+OH<=>C5H10CHO-2+H2O 4.670E+07 1.61 -3.500E+01
REV/ 1.752E+06 1.85 2.388E+04 /
NC5H11CHO+OH<=>C5H10CHO-3+H2O 4.670E+07 1.61 -3.500E+01
REV/ 1.752E+06 1.85 2.388E+04 /
NC5H11CHO+OH<=>C5H10CHO-4+H2O 4.670E+07 1.61 -3.500E+01
REV/ 1.752E+06 1.85 2.388E+04 /
NC5H11CHO+OH<=>C5H10CHO-5+H2O 4.670E+07 1.61 -3.500E+01
REV/ 3.317E+09 1.25 3.084E+04 /
NC5H11CHO+HO2<=>C5H10CHO-1+H2O2 2.760E+04 2.55 1.648E+04
REV/ 3.330E+04 2.22 4.442E+03 /
NC5H11CHO+HO2<=>C5H10CHO-2+H2O2 1.475E+04 2.60 1.391E+04
REV/ 3.285E+03 2.51 6.362E+03 /
NC5H11CHO+HO2<=>C5H10CHO-3+H2O2 1.475E+04 2.60 1.391E+04
REV/ 3.285E+03 2.51 6.362E+03 /
NC5H11CHO+HO2<=>C5H10CHO-4+H2O2 1.475E+04 2.60 1.391E+04
REV/ 3.285E+03 2.51 6.362E+03 /
NC5H11CHO+HO2<=>C5H10CHO-5+H2O2 2.950E+04 2.60 1.391E+04
REV/ 1.244E+07 1.91 1.332E+04 /
NC5H11CHO+CH3O2<=>C5H10CHO-1+CH3O2H 6.030E+12 0.00 1.938E+04
REV/ 2.990E+13 -0.51 6.617E+03 /
NC5H11CHO+CH3O2<=>C5H10CHO-2+CH3O2H 1.990E+12 0.00 1.705E+04
REV/ 1.821E+12 -0.26 8.784E+03 /
NC5H11CHO+CH3O2<=>C5H10CHO-3+CH3O2H 1.990E+12 0.00 1.705E+04
REV/ 1.821E+12 -0.26 8.784E+03 /
NC5H11CHO+CH3O2<=>C5H10CHO-4+CH3O2H 1.990E+12 0.00 1.705E+04
REV/ 1.821E+12 -0.26 8.784E+03 /
NC5H11CHO+CH3O2<=>C5H10CHO-5+CH3O2H 3.980E+12 0.00 1.705E+04
REV/ 6.897E+15 -0.86 1.574E+04 /
C5H10CHO-1<=>C2H4+C3H6CHO-1 2.680E+18 -1.58 3.041E+04
REV/ 2.500E+11 0.00 7.800E+03 /
C5H10CHO-2<=>C3H6+CH2CH2CHO 9.380E+17 -1.31 3.197E+04
REV/ 1.000E+11 0.00 7.800E+03 /
C5H10CHO-3<=>C4H8-1+CH2CHO 6.270E+16 -1.43 2.599E+04
REV/ 1.000E+11 0.00 7.800E+03 /
C5H10CHO-3<=>C4H7CHO1-4+CH3 2.373E+14 -0.56 3.132E+04
REV/ 1.000E+11 0.00 7.800E+03 /
C5H10CHO-4<=>AC3H5CHO+C2H5 7.188E+17 -1.37 3.323E+04
REV/ 1.000E+11 0.00 7.800E+03 /
C5H10CHO-4<=>C5H10-1+HCO 1.057E+14 -0.41 2.633E+04
REV/ 1.000E+11 0.00 7.800E+03 /
C5H10CHO-5<=>C2H3CHO+NC3H7 1.564E+19 -1.53 3.331E+04
REV/ 1.000E+11 0.00 7.800E+03 /
C4H7CHO1-4+OH<=>C4H7CO1-4+H2O 3.370E+12 0.00 -6.160E+02
REV/ 2.398E+12 -0.02 3.094E+04 /
C4H7CHO1-4+OH<=>C4H6CHO1-43+H2O 2.080E+06 2.00 -2.980E+02
REV/ 1.187E+08 1.74 3.498E+04 /
C4H7CHO1-4+OH<=>C4H6CHO1-44+H2O 4.670E+07 1.61 -3.500E+01
REV/ 1.502E+09 1.31 2.890E+04 /
C4H7CHO1-4+OH<=>CH3CHO+CH2CH2CHO 1.000E+11 0.00 0.000E+00
REV/ 5.344E+06 0.97 1.926E+04 /
C4H7CHO1-4+HO2<=>C4H7CO1-4+H2O2 1.000E+12 0.00 1.192E+04
REV/ 4.225E+12 -0.35 1.201E+04 /
C4H7CHO1-4+HO2<=>C4H6CHO1-43+H2O2 9.640E+03 2.60 1.391E+04
REV/ 3.265E+06 2.01 1.773E+04 /
C4H7CHO1-4+HO2<=>C4H6CHO1-44+H2O2 1.475E+04 2.60 1.391E+04
REV/ 2.815E+06 1.97 1.138E+04 /
C4H7CHO1-4+CH3O2<=>C4H7CO1-4+CH3O2H 2.800E+12 0.00 1.360E+04
REV/ 4.861E+13 -0.52 1.297E+04 /
C4H7CHO1-4+CH3O2<=>C4H6CHO1-43+CH3O2H 1.990E+12 0.00 1.705E+04
REV/ 2.770E+15 -0.77 2.015E+04 /
C4H7CHO1-4+CH3O2<=>C4H6CHO1-44+CH3O2H 1.990E+12 0.00 1.705E+04
REV/ 1.561E+15 -0.80 1.380E+04 /
C4H6CHO1-43<=>C4H6+HCO 4.834E+15 -0.79 3.354E+04
REV/ 1.000E+11 0.00 7.800E+03 /
C4H6CHO1-44<=>C2H3CHO+C2H3 2.118E+14 -0.39 3.716E+04
REV/ 1.000E+11 0.00 7.800E+03 /
NC4H9COCH3+OH<=>C4H8COCH3-1+H2O 2.065E+07 1.73 7.530E+02
REV/ 4.278E+06 1.72 2.019E+04 /
NC4H9COCH3+OH<=>C4H8COCH3-2+H2O 3.615E+07 1.64 -2.470E+02
REV/ 3.070E+05 2.04 2.163E+04 /
NC4H9COCH3+OH<=>C4H8COCH3-3+H2O 3.615E+07 1.64 -2.470E+02
REV/ 3.070E+05 2.04 2.163E+04 /
NC4H9COCH3+OH<=>C4H8COCH3-4+H2O 8.450E+11 0.00 -2.280E+02
REV/ 1.633E+13 -0.23 2.864E+04 /
NC4H9COCH3+OH<=>NC4H9COCH2+H2O 5.100E+11 0.00 1.192E+03
REV/ 6.786E+13 -0.70 2.768E+04 /
NC4H9COCH3+HO2<=>C4H8COCH3-1+H2O2 2.380E+04 2.55 1.649E+04
REV/ 2.927E+04 2.21 4.462E+03 /
NC4H9COCH3+HO2<=>C4H8COCH3-2+H2O2 5.600E+12 0.00 1.770E+04
REV/ 2.823E+11 0.07 8.112E+03 /
NC4H9COCH3+HO2<=>C4H8COCH3-3+H2O2 5.600E+12 0.00 1.770E+04
REV/ 2.823E+11 0.07 8.112E+03 /
NC4H9COCH3+HO2<=>C4H8COCH3-4+H2O2 2.000E+11 0.00 8.698E+03
REV/ 2.294E+13 -0.56 6.100E+03 /
NC4H9COCH3+HO2<=>NC4H9COCH2+H2O2 2.380E+04 2.55 1.469E+04
REV/ 1.880E+07 1.52 9.712E+03 /
NC4H9COCH3+CH3O2<=>C4H8COCH3-1+CH3O2H 3.010E+12 0.00 1.938E+04
REV/ 1.521E+13 -0.51 6.627E+03 /
NC4H9COCH3+CH3O2<=>C4H8COCH3-2+CH3O2H 1.990E+12 0.00 1.705E+04
REV/ 4.123E+11 -0.11 6.744E+03 /
NC4H9COCH3+CH3O2<=>C4H8COCH3-3+CH3O2H 1.990E+12 0.00 1.705E+04
REV/ 4.123E+11 -0.11 6.744E+03 /
NC4H9COCH3+CH3O2<=>C4H8COCH3-4+CH3O2H 2.000E+12 0.00 1.525E+04
REV/ 9.429E+14 -0.73 1.193E+04 /
NC4H9COCH3+CH3O2<=>NC4H9COCH2+CH3O2H 3.010E+12 0.00 1.758E+04
REV/ 9.770E+15 -1.21 1.188E+04 /
C4H8COCH3-1<=>CH2CH2COCH3+C2H4 1.133E+18 -1.59 3.091E+04
REV/ 1.000E+11 0.00 8.300E+03 /
C4H8COCH3-2<=>C3H6+CH3COCH2 3.175E+15 -0.79 2.622E+04
REV/ 1.000E+11 0.00 8.300E+03 /
C4H8COCH3-3<=>C4H8-1+CH3CO 1.714E+18 -1.61 2.825E+04
REV/ 1.000E+11 0.00 9.800E+03 /
C4H8COCH3-4<=>C2H3COCH3+C2H5 4.691E+19 -1.61 3.375E+04
REV/ 1.000E+11 0.00 8.300E+03 /
NC4H9COCH2<=>PC4H9+CH2CO 1.554E+18 -1.41 4.314E+04
REV/ 1.000E+11 0.00 1.160E+04 /
C4H7OOH1-4<=>C4H7O1-4+OH 2.021E+20 -1.53 4.704E+04
REV/ 2.000E+13 0.00 0.000E+00 /
C5H9OOH1-4<=>C5H9O1-4+OH 1.178E+20 -1.38 4.605E+04
REV/ 2.000E+13 0.00 0.000E+00 /
C5H9OOH1-5<=>C5H9O1-5+OH 1.594E+20 -1.50 4.699E+04
REV/ 2.000E+13 0.00 0.000E+00 /
C6H11OOH1-4<=>C6H11O1-4+OH 1.234E+20 -1.39 4.605E+04
REV/ 2.000E+13 0.00 0.000E+00 /
C6H11OOH1-5<=>C6H11O1-5+OH 1.234E+20 -1.39 4.605E+04
REV/ 2.000E+13 0.00 0.000E+00 /
C5H9O1-4<=>CH3CHO+C3H5-A 7.715E+20 -2.43 5.890E+03
REV/ 5.000E+10 0.00 9.600E+03 /
C5H9O1-4<=>AC3H5CHO+CH3 1.112E+17 -1.21 1.796E+04
REV/ 1.000E+11 0.00 9.600E+03 /
C5H9O1-5<=>CH2O+C4H71-4 4.310E+17 -1.33 1.794E+04
REV/ 1.000E+11 0.00 9.600E+03 /
C6H11O1-4<=>AC3H5CHO+C2H5 7.268E+20 -2.10 1.887E+04
REV/ 1.000E+11 0.00 9.600E+03 /
C6H11O1-4<=>C2H5CHO+C3H5-A 1.211E+21 -2.46 5.641E+03
REV/ 5.000E+10 0.00 9.600E+03 /
C6H11O1-5<=>C4H7CHO1-4+CH3 2.399E+17 -1.30 1.696E+04
REV/ 1.000E+11 0.00 9.600E+03 /
C6H11O1-5<=>CH3CHO+C4H71-4 1.999E+22 -2.58 1.853E+04
REV/ 1.000E+11 0.00 9.600E+03 /
C4H7CHO1-1+OH<=>C4H7CO1-1+H2O 3.370E+12 0.00 -6.160E+02
REV/ 5.203E+12 0.03 3.680E+04 /
C4H7CHO1-1+OH<=>C4H6CHO1-14+H2O 5.270E+09 0.97 1.586E+03
REV/ 1.067E+09 0.96 2.102E+04 /
C4H7CHO1-1+OH<=>C4H6CHO1-13+H2O 3.120E+06 2.00 -2.980E+02
REV/ 1.251E+08 1.79 3.493E+04 /
C4H7CHO1-1+OH<=>C2H5CHO+CH2CHO 1.000E+11 0.00 0.000E+00
REV/ 1.076E+07 1.10 1.702E+04 /
C4H7CHO1-1+HO2<=>C4H7CO1-1+H2O2 1.000E+12 0.00 1.192E+04
REV/ 9.165E+12 -0.30 1.787E+04 /
C4H7CHO1-1+HO2<=>C4H6CHO1-14+H2O2 2.760E+04 2.55 1.648E+04
REV/ 3.317E+04 2.22 4.452E+03 /
C4H7CHO1-1+HO2<=>C4H6CHO1-13+H2O2 9.640E+03 2.60 1.391E+04
REV/ 2.295E+06 2.06 1.768E+04 /
C4H7CHO1-1+CH3O2<=>C4H7CO1-1+CH3O2H 2.800E+12 0.00 1.360E+04
REV/ 1.055E+14 -0.47 1.883E+04 /
C4H7CHO1-1+CH3O2<=>C4H6CHO1-14+CH3O2H 6.030E+12 0.00 1.938E+04
REV/ 2.978E+13 -0.51 6.627E+03 /
C4H7CHO1-1+CH3O2<=>C4H6CHO1-13+CH3O2H 1.990E+12 0.00 1.705E+04
REV/ 1.947E+15 -0.72 2.010E+04 /
C4H7CO1-1<=>C4H71-1+CO 8.510E+20 -2.12 4.032E+04
REV/ 1.500E+11 0.00 4.810E+03 /
C4H6CHO1-14<=>C2H4+CHCHCHO 9.050E+16 -1.33 4.687E+04
REV/ 8.000E+10 0.00 1.140E+04 /
C4H6CHO1-13<=>C4H6+HCO 8.954E+17 -1.28 4.623E+04
REV/ 8.000E+10 0.00 1.140E+04 /
NC3H7COC2H5+OH<=>C3H6COC2H5-1+H2O 2.065E+07 1.73 7.530E+02
REV/ 5.173E+06 1.70 2.022E+04 /
NC3H7COC2H5+OH<=>C3H6COC2H5-2+H2O 3.615E+07 1.64 -2.470E+02
REV/ 7.233E+05 1.92 2.176E+04 /
NC3H7COC2H5+OH<=>C3H6COC2H5-3+H2O 8.450E+11 0.00 -2.280E+02
REV/ 3.313E+13 -0.32 2.874E+04 /
NC3H7COC2H5+OH<=>NC3H7COC2H4P+H2O 5.100E+11 0.00 1.192E+03
REV/ 1.278E+11 -0.03 2.066E+04 /
NC3H7COC2H5+OH<=>NC3H7COC2H4S+H2O 8.450E+11 0.00 -2.280E+02
REV/ 3.313E+13 -0.32 2.874E+04 /
NC3H7COC2H5+HO2<=>C3H6COC2H5-1+H2O2 2.380E+04 2.55 1.649E+04
REV/ 3.539E+04 2.19 4.492E+03 /
NC3H7COC2H5+HO2<=>C3H6COC2H5-2+H2O2 5.600E+12 0.00 1.770E+04
REV/ 6.652E+11 -0.05 8.242E+03 /
NC3H7COC2H5+HO2<=>C3H6COC2H5-3+H2O2 2.000E+11 0.00 8.698E+03
REV/ 4.654E+13 -0.65 6.200E+03 /
NC3H7COC2H5+HO2<=>NC3H7COC2H4P+H2O2 2.380E+04 2.55 1.469E+04
REV/ 3.539E+04 2.19 2.692E+03 /
NC3H7COC2H5+HO2<=>NC3H7COC2H4S+H2O2 2.000E+11 0.00 8.698E+03
REV/ 4.654E+13 -0.65 6.200E+03 /
NC3H7COC2H5+CH3O2<=>C3H6COC2H5-1+CH3O2H 3.010E+12 0.00 1.938E+04
REV/ 1.839E+13 -0.54 6.657E+03 /
NC3H7COC2H5+CH3O2<=>C3H6COC2H5-2+CH3O2H 1.990E+12 0.00 1.705E+04
REV/ 9.713E+11 -0.22 6.874E+03 /
NC3H7COC2H5+CH3O2<=>C3H6COC2H5-3+CH3O2H 2.000E+12 0.00 1.525E+04
REV/ 1.913E+15 -0.83 1.203E+04 /
NC3H7COC2H5+CH3O2<=>NC3H7COC2H4P+CH3O2H 3.010E+12 0.00 1.758E+04
REV/ 1.839E+13 -0.54 4.862E+03 /
NC3H7COC2H5+CH3O2<=>NC3H7COC2H4S+CH3O2H 2.000E+12 0.00 1.525E+04
REV/ 1.913E+15 -0.83 1.203E+04 /
C3H6COC2H5-1<=>C2H4+C2H5COCH2 2.218E+15 -0.84 2.359E+04
REV/ 2.500E+11 0.00 7.800E+03 /
C3H6COC2H5-2<=>C3H6+C2H5CO 4.051E+16 -1.11 2.615E+04
REV/ 1.000E+11 0.00 8.300E+03 /
C3H6COC2H5-3<=>C2H5COC2H3+CH3 2.915E+15 -0.68 3.230E+04
REV/ 1.000E+11 0.00 7.800E+03 /
NC3H7COC2H4P<=>NC3H7CO+C2H4 5.398E+17 -1.45 2.604E+04
REV/ 2.500E+11 0.00 7.800E+03 /
NC3H7COC2H4S<=>CH3CHCO+NC3H7 1.973E+19 -1.49 4.286E+04
REV/ 1.000E+11 0.00 1.060E+04 /
CHCHCHO+OH<=>CH2CHO+HCO 1.000E+12 0.00 0.000E+00
REV/ 2.719E+11 0.29 3.620E+04 /
CY13PD=CY13PD5J+H                       1.00E+15    0.0     78000.0   
CY13PD+O2=CY13PD5J+HO2                  5.00E+12    0.0     37150.0   
CY13PD+H=CYC5H7U1                       4.0E+12     0.0         0.0
CY13PD+OH=AC3H4CH2CHO                   1.00E+13    0.0         0.0
CY13PD+CH3=CH3CY24PD+H                  8.11E+00 3.182 9382.99 
CY13PD+O=C4H6+CO                        1.02E+14   -0.34     4674.0
CY13PD+H=H2+CY13PD5J                    1.60E+06    2.4      4471.0   
CY13PD+O=CY13PD5J+OH                    6.03E+10    0.7      7633.0   
CY13PD+OH=CY13PD5J+H2O                  4.12E+06    2.00     -298.0   
CY13PD+HO2=CY13PD5J+H2O2                4.00E+12    0.0     15900.0   
CY13PD+HCO=CY13PD5J+CH2O                7.20E+06    1.9     17010.0   
CY13PD+CH3=CH4+CY13PD5J                 1.80E-01    4.0         0.0   
CY13PD+C2H3=CY13PD5J+C2H4               1.20E-01    4.0         0.0   
CY13PD+C3H5-A=C3H6+CY13PD5J             6.00E+12    0.0     15000.0   
CY13PD+C3H3=CY13PD5J+C3H4-A             6.00E+12  0.000     12000.0   
CY13PD+C3H3=CY13PD5J+C3H4-P             6.00E+12  0.000     12000.0   
CY13PD+NC4H5=C4H6+CY13PD5J              3.00E+12    0.0      5000.0   
CY13PD+CYC5H5OJ=CY13PD5J+CYC5H5OH       1.00E+12    0.0      6000.0   
CY13PD+C6H5=C6H6+CY13PD5J               6.00E+12    0.0      6000.0   
CY13PD+C6H5OJ=CY13PD5J+C6H5OH           8.00E+12  0.000     10000.0   
CY13PD+H=CJCXCC#C+H2                    8.040E+05 2.500 1.228E+04
CJCXCC#C+HO2=OH+CO+NC4H5                   8.000E+12    0.00  0.00
CY13PD+C2H3=C6H6+CH3                    2.12E+67  -16.08    42640.0   
CY13PD5J+CH3=CH3CY24PD                   2.00E13    0.0     5000.00
CH3CY24PD=>C6H6+H2                        1.0E14   0.00      56000.0  
CY13PD+CY13PD=DICYPD                    1.00E+13    0.0     31250.0   
CY13PD5J+CY13PD5J=C10H10                2.00E+12    0.0      8000.0   
CY13PD5J+CY13PD5J=BICPDJ+H              2.00E+12    0.0      8000.0   
CY13PD+CY13PD5J=IND+CH3                  2.00E+12    0.00    19000.0 
CY13PD+CY13PD5J=C10H10+H                3.22E+15   -1.37    16710.0
CY13PD+NC4H5=CR3+H                      2.168E+12   0.0      5007.1         
CY13PD5J=CJCXCC#C                       2.0E+13    0.00    77000.0  
CJCXCC#C=>C3H3+C2H2                      1.00E+13        0.00    38000.0  
CY13PD5J+C2H3CHO=C2H3CO+CY13PD          1.00E+13    0.0      8843.0  
CY13PD5J+HO2=CYC5H5OJ+OH                8.00E+12    0.0      0.0000  
CY13PD5J+HO2=CPDOOH                     1.99E+68  -17.17    19570.0  
CY13PD5J+O2=OXCCXCCJCXO                 2.11E+17   -2.25     8390.0  
HCO+CXCCXCXO=OXCCXCCJCXO                  4.00E+11    0.0      4100.0
CY13PD5J+OH=CYC5H5OH                    1.24E+14   -0.57        0.0   
CY13PD5J+C2H3=CPDCXC                    4.82E+13    0.0         0.0   
CH3CY24PD+OH=H2O+CH2CY24PD              1.63E+08    1.42     1451.0  
CH3CY24PD+CH3=CH4+CPDJCH3               2.50E+11    0.0      5000.0  
CH3CY24PD+CH3=CH4+CH2CY24PD             2.50E+11    0.0      6000.0  
CH3CY24PD+H=H2+CH2CY24PD                1.20E+14    0.0      8000.0  

H+FULVENE=CH2CY24PD 6.250E+11 0.510 2.620E+03  
CH3CY24PD+OH=H2O+CPDJCH3                1.63E+08    1.42     1451.0  
CPDJCH3=H+C6H6                          1.00E+14    0.0     30000.0  
CY13PD5J+C3H6=CPDCXC+CH3                1.49E+11   -0.06    29790.0   
CY13PD5J+C3H4-P=STYR+H                  1.49E+11   -0.06    29790.0   
CY13PD5J+C3H4-A=STYR+H                  1.49E+11   -0.06    29790.0 
CY13PD5J+C3H3=STYR                      2.00E13    0.0      7000.00
CYC6H7+H=C4H6+C2H2                      6.50E+13    0.0         0.0  
CYC6H7=LINC6H7                          3.00E+13    0.0     46400.0  
LINC6H7=NC4H5+C2H2                      5.50E+14    0.0     41000.0  
CY13PD5J+O=NC4H5+CO                      2.0E+14   0.00      0.0  

CY13PD5J+O=CYC5H5OJ                     3.20E-08    4.71   -12990.0   
BICPD+H=BICPDJ+H2                       1.30E+06    2.4      4471.0   
BICPD+H=C10H9+H2                        0.20E+06    2.4      4471.0   
BICPD+O2=BICPDJ+HO2                     4.00E+13    0.0     37150.0   
BICPD+OH=BICPDJ+H2O                     3.12E+06    2.00     -298.0   
BICPD+O=BICPDJ+OH                       6.03E+10    0.7      7633.0   
BICPD+HO2=BICPDJ+H2O2                   4.00E+12    0.0     15900.0   
BICPD+CH3=BICPDJ+CH4                    1.80E-01    4.0         0.0   
BICPD+CY13PD5J=BICPDJ+CY13PD            7.900E+10   0.00  1.240E+04   
BICPDJ=NAPH+H                           1.00E+14    0.0     40000.0   
BICPDJ+O2=NAPH+HO2                      3.00E+11    0.0     20000.0   
CXCCXCC+H=C4H6+CH3                      5.20E+71  -16.38    51060.0   
CXCCXCC+H=CXCCXCCJ+H2                   7.00E+06    2.00     5000.0   
CXCCXCC+OH=CXCCXCCJ+H2O                 7.00E+06    2.00        0.0  
CXCCJCXC=CXCCXCCJ                       5.35E+11   -0.7        60.0   
CXCCJCXC+O2=C2H3CHO+CH2CHO              1.20E+36   -7.25    33600.0  
CXCCXCCJ+O2=C2H3CHCHO+CH2O               8.16E+10    0.18     9140.0   
CXCCXCCJ+H=CXCCXCC                      2.33E+20   -1.6      3020.0   
CXCCXCCJ+H=NC4H5+CH3                    2.91E+26   -2.18    36770.0   
CXCCXCCJ+OH=CXCCXCCOH                   1.50E+13    0.0         0.0  
CXCCXCCJ+O=C2H3CHO+C2H3                 2.00E+14    0.0         0.0  
CXCCXCCJ+HO2=C2H3CHO+C2H3+OH            8.00E+12    0.0         0.0  
CPDOOH=CYC5H5OJ+OH                        2.00E+16   0.00    43000.0  
CYPDONE+H=CO+NC4H5                      2.13E+61  -13.27    40810.0   
CYPDONE+H=OXCJCXCCXC                    1.60E+65  -14.94    36980.0   
CYPDONE+O=CJXCCXCXO+HCO                 1.0E+13     0.0      2000.0   
CYPDONE+OH=C3H4-A+HCO+CO               1.0E+13     0.0      0000.0
CYPDONE+OH=H2O+CPDJONE                  5.30E+07    1.42     1451.0   
CYPDONE+O=CPDJONE+OH                    1.40E+13    0.0     14700.0   
CYPDONE=C2H2+C2H2+CO                    5.70E+32   -6.76    68500.0   
CPDJONE+O2=CO2+CJXCCXCXO                9.67E+58  -13.47    38180.0   
CPDJONE=>C2H2+CO+C2H                     2.00E+13    0.0     51000.0   
C4H6+OH=NC4H5+H2O                       3.600E+06   2.00   2.500E+03   
C4H6+O2<=>NC4H5+HO2                     4.00E+13    0.00   5.820E+04   
NC4H5+C2H4=C4H6+C2H3                    6.31E+11    0.00      7800.0   
NC4H5+H2=H+C4H6                         3.90E+09    0.50      3704.0   
NC4H5+CH2O=C4H6+HCO                     5.42E+03    2.81      5860.0   
NC4H5+H=C4H6                            1.13E+45   -9.05    15830.0   
NC4H5+H=C2H3+C2H3                       3.91E+46   -8.66    32250.0   
NC4H5=C2H2+C2H3                         1.00E+14    0.0     38000.0   
NC4H5+O2=C2H3CHO+HCO                    3.32E+24   -3.67     6190.0   
NC4H5+C2H2=C6H6+H                       1.39E+16   -1.00     8900.0   
C10H10+H=NC4H5+C6H6                     2.0E14    0.0      0.000   
C2H3+C4H4=C6H6+H                       1.39E+16   -1.00     8900.0
NC4H5=C4H4+H                            1.00E+14    0.0     40000.0   
C4H4+O=HCCO+C2H3                        1.00E+13    0.0         0.0   
C4H4+OH=CH2CO+C2H3                      3.00E+13    0.0         0.0   
C4H4+C2H2=C6H6                          4.47E+11    0.0    3.00E+04   
CXCCXCCOH+H=C4H6+CH2OH                  2.50E+34   -6.12    16250.0   
C2H3CHCHO+HO2=>HCOHCO+C2H3+OH             3.50E+12    0.00    -1000.0   
C2H3CHCHO=>C3H5-A+CO   2.93E12 0.29 4.03E04    
C2H3CHCHO+O2=C2H3CHO+OCHO              1.20E+36   -7.25    33600.0   
C2H2+HCCO=CJXCCXCXO                     3.16E+11    0.0      6000.0   
CXOCCCJCXO+O2=CXOCCCXO+OCHO           6.29E+05    1.65    17480.0   
OXCCXCCXCJ=C2H2+CJXCCXO                 3.00E+13    0.0     43710.0   
OXCCXCCXCJ=OXCJCXCCXC                   1.25E+10   0.00   2.085E+04   
OXCCXCCXCJ+O2=OXCCXCCXO+HCO             5.42E+12    0.0         0.0   
OXCCXCCJCXO+O2=HCOHCO+CXOCJCXO          2.78E+08   -0.07    13940.0   
OXCCXCCJCXO+O2=OXCCXCCXO+OCHO         1.62E+09   -0.03    18800.0   
OXCCXCCJCXO+H=CXOCXCCJ+HCO              2.18E+58  -12.39    33110.0   
OXCJCXCCXC=NC4H5+CO                      3.47E12    0.63    27210.0   
OXCCXCCXO+H=OXCCXCCJXO+H2               2.64E+13    0.00     3300.0   
OXCCXCCXO+O=OXCCXCCJXO+OH               1.19E+13    0.00     1868.0   
OXCCXCCXO+OH=OXCCXCCJXO+H2O             1.85E+07    1.5      -960.0   
OXCCXCCXO+CH3=OXCCXCCJXO+CH4            5.22E+06    1.78     5911.0   
OXCCXCCXO+HO2=OXCCXCCJXO+H2O2           6.02E+12    0.00    11930.0   
OXCCXCCXO+CH3O2=OXCCXCCJXO+CH3O2H       6.02E+12    0.00    11930.0   
CJXCCXO+CO=OXCCXCCJXO                   1.51E+11    0.0      4810.0   
CXOCXCCJ+O2=CH2O+CXOCJCXO               7.18E+49  -11.41    39820.0   
CXOCXCCJ+O=HCO+C2H3CHO                  1.00E+14    0.0         0.0   
CXCCCO2J=C3H5-A+CO2                      1.00E+13    0.0      6000.0  
CXOCCCXO+H=H2+CXOCCCJXO                 2.29E+10    1.05     3279.0   
CXOCCCXO+OH=H2O+CXOCCCJXO               3.49E+09    1.18     -447.0   
CXOCCCJXO+O2=C2H4+DHCO2J                1.61E+45   -9.92    20670.0   
CH2CH2CHO+CO=CXOCCCJXO                  1.50E+11    0.00     4800.0   
CXCCXCXO+OH=CJXCCXCXO+H2O               2.02E+13    0.0      5933.0   
CXCCXCXO+C6H5=CJXCCXCXO+C6H6            2.02E+13    0.0      8933.0   
CXCCXCXO+O=C2H3CHO+CO                   .32E+14    -0.34     4674.0   
CXCCXCXO+H=CXCCCJXO                     1.69E+07    1.03     -550.0   
CXCCXCXO+H=C3H5-A+CO                    6.60E+13   -0.02     2740.0   
CXCCCJXO=CO+C3H5-A                      6.12E+05    0.92    -1120.0   
CXOCCXO+O=CH2CHO+OCHO                 6.00E+12    0.0         0.0   
CXOCCXO+OH=>H2O+CH2CO+HCO                 2.764E+04 2.640 -1.919E+03 
CXOCCXO+H=>H2+CH2CO+HCO                   3.376E+05 2.360 2.070E+02 
CXOCCXO+HO2=>H2O2+CH2CO+HCO               4.820E+03 2.550 1.053E+04 
CXOCCXO+O2=>HO2+CH2CO+HCO                 2.000E+13 0.000 3.719E+04 
CXOCJCXO+O2=HCOHCO+OCHO               4.12E+13   -0.46    21710.0   
CJXCCXO=C2H3CO                          1.40E+09    0.98    32100.0    
C2H2+HCO=CJXCCXO                        7.77E+06    1.41     7755.0    
CJXCCXO+O2=HCOHCO+HCO                   5.42E+12    0.0         0.0    
DHCO2J=CO2+OCHO                       3.00E+13    0.0      4000.0    
HCO+HCO=HCOHCO 6.0E12 0.0 -1000.0 
HCOHCO+O2<=>HO2+HCOCJXO                 8.07E+15    0.0     5.342E+04  
HCOHCO+OH=H2O+HCOCJXO                   3.43E+09    1.18     -447.0    
HCOHCO+O=OH+HCOCJXO                     4.16E+11    0.57     2762.0    
HCOHCO+H=H2+HCOCJXO                     2.29E+10    1.05     3279.0    
HCOCJXO+O2=OCHO+CO2                   7.27E+25   -3.97     6890.0    
HCOCJXO=CO+HCO                          4.20E+12    0.0     10800.0    
OCHO+O=OH+CO2                         6.00E+12    0.0         0.0    
OCHO+OH=H2O+CO2                       6.00E+12    0.0         0.0    
!C3H3+C3H3=C6H5+H                        3.E+12    0.000     0.000    
!C3H3+C3H3=FULVENE                       1.26E+56  -12.61    23520.0    
!C3H3+C3H3=C6H6                          3.89E+50  -11.01    20320.0    
CYC5H8+H=CYC5H9                         4.11E+47  -11.49     8490.0   
CYC5H8+H=C3H5-A+C2H4                     1.28E+27   -4.07    11800.0  
CYC5H8=CYC5H7U1+H                       5.00E+15    0.0     84170.0   
CYC5H7U1+H2=CYC5H8+H                    1.08E+05    2.38    19000.0   
CYC5H7U1+O2=CXOCCCJCXO                  8.00E+24   -3.8     20000.0   
CYC5H7U1=CXCCXCCJ                       3.20E+15    0.0     39500.0   
CYC5H5OH+HO2=H2O2+CYC5H4OH              3.61E+03    2.55    10531.0   
CYC5H5OH+HO2=H2O2+CYC5H5OJ              1.00E+13    0.0     15800.0   
CYC5H5OH+OH=H2O+CYC5H4OH                5.48E+12    0.0      1731.0   
CYC5H5OH+OH=H2O+CYC5H5OJ                1.00E+13    0.0      1697.0   
CYC5H5OH+O=OH+CYC5H4OH                  4.17E+11    0.0         0.0   
CYC5H5OH+O=OH+CYC5H5OJ                  1.00E+13    0.0      4683.0   
CYC5H5OH+H=H2+CYC5H4OH                  3.15E+12    0.0         0.0   
CYC5H5OH+H=H2+CYC5H5OJ                  4.00E+13    0.0      6094.0   
CYC5H4OH=CYPDONE+H                      1.00E+13    0.0     47450.0   
CYC5H5OJ=NC4H5+CO                       1.07E+79  -19.62    66250.0   
CYC5H5OJ=OXCCXCCXCJ                     3.00E+13    0.0     33000.0   
CYC5H5OJ=CYPDONE+H                      1.000E+14  0.00   3.500E+04  
C6H5CH2J+IC4H7=CR1                     1.00E+13    0.0         0.0          
CR1+H=CR2+H2                            3.16E+12    0.00        0.0         
CR1+OH=CR2+H2O                          7.00E+10    1.00    -1100.0         
CR1+O=CR2+OH                            8.40E+11    0.00    -2000.0         
STYR+C3H5-T=CR2                          1.00E+13    0.0         0.0        
NC4H5+C4H4=STYR+H                       2.168E+12   0.0      5007.1         
CY13PD5J+C3H3=C6H5C2H2+H                2.500E+12   0.0      6200.          
C6H5+C3H6=CR3+H                         2.168E+12   0.0      5007.1         
C6H5+C3H6=STYR+CH3                      2.168E+12   0.0      5007.1         
C6H5+C3H6=CR4+H                         2.168E+12   0.0      5007.1         
C6H5+IC4H8=CR3+CH3                      2.168E+12   0.0      5007.1         
C6H5+IC4H8=CR5+H                        2.168E+12   0.0      7000.0         
CH3+C6H5C2H2=CR3                        1.00E+13    0.0         0.0         
C6H5C2H+C2H3=NAPH+H                     2.168E+12   0.0      5007.1  
C6H5C2H2+CY13PD=STYR+CY13PD5J           1.20E-01    4.0         0.0         
C6H5C2H2+H=STYR                         1.00E+14    0.0         0.0         
C6H5CH2J+C2H3=CR4                       1.00E+13    0.0         0.0         
C6H5CH2J+C3H5-T=CR5                      1.00E+13    0.0         0.0        
C6H5C2H2+O2=C6H5CJO+CH2O                4.50E+16   -1.39     1000.0         
C6H5C2H2+C2H2=NAPH+H                    2.168E+12   0.0      7000.0         
C6H5CH2J+C3H4-A=C6H5CH3+C3H3             2.00E+12    0.00    12000.0        
C10H10+OH=C6H5OH+NC4H5                  1.00E+13    0.00        0.0 
C6H6+H=LINC6H7                          1.22E+22   -1.87    31200.0  
C6H6+O=C6H5OJ+H                        2.48E+14   -0.34     4674.0
C6H6+O=C6H5OH                           .5102E+14   -0.34     4674.0
C6H5+O2=C6H5O2                           1.00E+13    0.00        0.0
C6H5O2+C6H5=C6H5OJ+C6H5OJ               1.00E+13    0.00        0.0  
C6H5+O2=YOC6JDO                         5.14E+39   -8.05    28271.0  
C6H5+O2=C6H5OJ+O                        8.21E+41   -7.74    27770.0 
C6H5+O2=OC6H4O+H                 3.0E13      0.0        9.0E3    
C6H5+HO2=C6H5OJ+OH                      3.00E+13    0.0         0.0  
C6H5OJ+O=OC6H4O+H                       2E+14      .00      0.00
C6H5O2=C6H5OJ+O                         7.51E+67  -15.72    73699.0  
C6JYOO=C6H5O2                           5.49E+80  -19.18    75390.0  
C6JYOO=YOC6JDO                          1.51E+80  -19.21    75405.0  
CXCC(C#C)XC=FULVENE                     4.90E+26   -4.14    65420.0   
CXCC(C#C)XC=C6H6                        2.82E+51  -10.68   107000.0   
CXCC(C#C)XC=C6H5+H                      3.09E+43   -7.93   118700.0   
FULVENE+H=FULVENYL+H2                   3.03E+02    3.3      5690.0   
FULVENE+OH=FULVENYL+H2O                 1.63E+08    1.42     1454.0   
FULVENYL+H=C6H5+H                       1.00E+14    0.0         0.0   
FULVENYL+O2=CYPDONE+HCO                 1.00E+12    0.0         0.0   
C6H5+C6H5=C12H10                        2.00E+19   -2.10     2900.0   
C6H5+C6H6=C12H10+H                      3.98E+11    0.00     3993.7   
C6H5OH+O2=C6H5OJ+HO2                    3.00E+13    0.00    37000.0 
C6H5OH+H=C6H5OJ+H2                      1.20E+14    0.00    12400.0 
C6H5OH+O=C6H5OJ+OH                      1.30E+13    0.00     5000.0 
C6H5OH+OH=C6H5OJ+H2O                    3.00E+06    2.00    -1310.0 
C6H5OH+HO2=C6H5OJ+H2O2                  1.00E+12    0.00     8000.0 
C6H5OH+CH3=C6H5OJ+CH4                   1.81E+11    0.00     9010.0 
C6H5OH+C2H3=C6H5OJ+C2H4                 6.00E+12    0.00        0.0 
C6H5OH+NC4H5=C6H5OJ+C4H6                6.00E+12    0.00        0.0 
C6H5OH+C6H5=C6H5OJ+C6H6                 4.90E+12    0.00     4400.0 
C6H4OH+O2=OC6H4O+OH                        3.00E+29	-4.72	15600   
C6H5OJ+C6H5CH3=C6H5OH+C6H5CH2J          1.60E+12    0.0     15100.0   
C6H5OJ=CY13PD5J+CO                      4.00E+11    0.00    43900.0 
C6H5OJ=CJCXCC#C+CO                       5.0E+12    0.00    58000.0 
C6H5OJ+H=C6H5OH                         1.50E+14    0.00        0.0 
C6H5OJ+HO2=RODC6JDO+OH                  5.00E+12    0.00        0.0
C6H5OJ+CH3O2=RODC6JDO+CH3O              2.00E+12    0.00        0.0   
RODC6JDO=OC6H4O+H                      1.000E+14 0.000 2.910E+04   
OC6H4O=CYPDONE+CO                       3.70E+11    0.00    59000.0  
OC6H4O+H=>CO+C2H3CO+C2H2               2.50E+13    0.00     4700.0
OC6H4O+O=>CO+HCCO+C2H3CO                2.48E+14   -0.34     4674.0
DUP
OC6H4O+O=>CO+HCCO+C2H3CO               1.40E+13    0.00    14700.0 
DUP
OC6H4O+OH=>HCO+C2H3CO+HCCO             1.00E+06    2.00     4000.0  
C6H5(+M)=C6H4+H(+M)                     4.30E+12    0.6     77300.0
                                 LOW /  1.00E+84  -18.87    90100.0/
                                 TROE/  0.902  696.0  358.0  3856.0/
C4H2+C2H2=C6H4                          1.40E+07    1.40    25410.0
YOC6JDO=RODC6JDO                        1.0E+13       0.0    24000
C6H5+OH=C6H5OH                          3.00E+13    0.0         0.0
C6H5+O=CJCXCC#C+CO                      1.00E+14    0.0         0.0
CYC6H7+O2=C6H6+HO2                      7.90E+11    0.00     9900.0  
CYC6H7+H=C6H6+H2                        3.30E+12    0.00        0.0  
CYC6H7+OH=C6H6+H2O                      1.00E+13    0.00        0.0  
OXCCXCCXCJ+CO=RODC6JDO                  1.51E+11    0.0      4810.0   
CYPDONE+HCO=RODC6JDO                    4.00E+11    0.0      4100.0  
C6H5+C2H5=C6H5C2H5                      1.00E+14    0.0         0.0  
C6H5CH2J+CY13PD=CY13PD5J+C6H5CH3        7.900E+10   0.00  1.240E+04     
C6H5CH3=C6H5+CH3                        2.660E+16   0.00    97830.4   
C6H5CH3=C6H5CH2J+H                       1.090E+15    0.00   87463.4  
C6H4CH3+H=C6H5CH3                       1.0E+14       0.0        0.0  
C6H5OH+CH3=C6H5CH3+OH                   4.00E+11 0.00  7700.0    
C6H5CH3+O2=C6H5CH2J+HO2                 2.180E+07   2.50    46045.0  
C6H5CH3+H=C6H5CH2J+H2                  	6.470E+00   3.98     3384.0  
C6H5CH3+O=C6H5CH2J+OH                   6.00E+10    0.7      7632.0  
C6H5CH3+OH=C6H5CH2J+H2O                 1.770E+05   2.394    -601.8   
C6H5CH3+HO2=C6H5CH2J+H2O2               7.00E+02    3.00    12000.0 
C6H5CH3+CH3O2=C6H5CH2J+CH3O2H           1.02E+04    2.50    12339.3  
C6H5CH3+CH3=C6H5CH2J+CH4               2.210E+00   3.50    5.675E+03  
C6H5CH3+CH3O=C6H5CH2J+CH3OH             2.12E+10    0.00     3000.0  
C6H5CH3+C2H3=C6H5CH2J+C2H4              2.21E+00    3.50     4680.0  
C6H5CH3+HCO=C6H5CH2J+CH2O               3.77E+13    0.00    23787.4  
C6H5CH3+C6H5CH2OJ=C6H5CH2J+C6H5CH2OH    1.60E+11    0.00    11100.0  
C6H5CH3+C6H5CH2OOJ=C6H5CH2J+C6H5CH2OOH  1.02E+03    2.50    12339.3  
C6H5CH3+C6H4CH3=C6H5CH2J+C6H5CH3        7.94E+12    0.00    11949.0  
C6H5CH3+OC6H4CH3=C6H5CH2J+HOC6H4CH3     1.60E+11    0.00    15100.0  
C6H5CH3+C6H5=C6H5CH2J+C6H6              7.94E+12    0.00    11949.0  
C3H4-A+NC4H3=C6H5CH2J    1.00E+14   0.0   0.0  
C6H5CH2J+O2=C6H5CH2OOJ           1.382E+41    -9.44     9020.0  
C6H5CH2OOJ=C6H5CHO+OH            4.000E+76   -19.96    64725.0  
C6H5CH2OOJ=C6H5OJ+CH2O           1.700E+76   -19.96    64725.0  
C6H5CH2OOJ+H=C6H5CH2OOH                 1.00E+14    0.00        0.0   
C6H5CH2OOJ+HO2=C6H5CH2OOH+O2            2.00E+11    0.00        0.0   
C6H5CH2OOJ+HO2=>C6H5CH2OJ+OH+O2         6.30E+10    0.00     -720.0
C6H5CH2OOJ+CH3O2=>C6H5CH2OJ+CH3O+O2     6.30E+10    0.00     -720.0
2C6H5CH2OOJ=>2C6H5CH2OJ+O2              6.30E+10    0.00     -720.0   
2C6H5CH2OOJ=>C6H5CH2OH+C6H5CHO+O2       6.30E+10    0.00     -720.0   
C6H5CH2OOH=C6H5CH2OJ+OH                 1.00E+16    0.00    39000.0     
C6H5CH2J+OH=C6H5CH2OH                   2.00E+13    0.00        0.0     
C6H5CH2J+O=C6H5CHO+H                    1.51E+13    0.00        0.0     
C6H5CH2J+O=C6H5+CH2O                    2.00E+14    0.00        0.0     
C6H5CH2J+HO2=C6H5CH2OJ+OH               5.00E+12    0.00        0.0   
C6H5CH2J+CH3O2=C6H5CH2OJ+CH3O           5.00E+12    0.00        0.0   
C6H5CH2OH+O2=HO2+C6H5CH2OJ              2.00E+14    0.00    55400.0 
C6H5CH2OH+OH=C6H5OH+CH2OH               2.61E+14   -0.67     1710.0 
C6H5CH2OH+OH=C6H5CH2OJ+H2O              3.90E+09    1.00    -1100.0
C6H5CH2OH+O=C6H5OJ+CH2OH                1.70E+13    0.00     3600.0
C6H5CH2OH+O=C6H5CH2OJ+OH                4.20E+11    0.00    -2000.0
C6H5CH2OH+HO2=C6H5CH2OJ+H2O2            2.70E+11    0.00    12000.0
C6H5CH2OH=C6H5CH2OJ+H                   5.00E+13    0.00   104069.0  
C6H5CH2OH=C6H5+CH2OH                    5.00E+13    0.00   101225.0  
C6H5CHOH+O2=C6H5CHO+HO2                 3.810E+06   2.00  1.641E+03  
C6H5CHOH+H=C6H5CH2OH                    1.00E+14    0.00        0.0
C6H5CHOH+OH=C6H5CHO+H2O                 3.44E+09    1.18     -447.0
C6H5CH2OJ+O2=HO2+C6H5CHO                6.60E+10  0.00 2.200E+03     
C6H5CH2OJ=C6H5CHO+H                     1.000E+14  0.00 2.910E+04     
C6H5CH2OJ=C6H5+CH2O                     1.464E+20 -1.97 3.509E+04     
C6H5CH2OJ+H=C6H5CHO+H2                  4.00E+13    0.0     0.00
C6H5CH2OJ+OH=C6H5CHO+H2O                2.00E+13    0.0     0.00
C6H5CH2OJ+HO2=C6H5CHO+H2O2              2.00E+13    0.0     0.00
C6H5CH2OJ+CH3=C6H5CHO+CH4               2.00E+13    0.0     0.00            
C6H5CH2OJ+C6H5CH2J=C6H5CHO+C6H5CH3      1.00E+13    0.0     0.00          
C6H5CHO+OH=H2O+C6H5CJO                  3.44E+09    1.18     -447.0  
C6H5CHO+H=H2+C6H5CJO                    7.470E+00   3.98     1384.0  
C6H5CHO=C6H5CJO+H                       4.00E+15    0.00    83700.0  
C6H5CHO+O=C6H5CJO+OH                    6.00E+12    0.00     1800.0  
C6H5CHO+O2=C6H5CJO+HO2                  7.00E+11    0.00    39500.0  
C6H5CHO+HO2=C6H5CJO+H2O2                7.00E+02    3.00    10000.0  
C6H5CHO+CH3=C6H5CJO+CH4                 2.00E-06    5.60     1500.0  
C6H5CHO+C6H5=C6H5CJO+C6H6               2.0E+1      3.51      3743.00 
C6H5CHO+C6H5CH2J=C6H5CJO+C6H5CH3            1.60E+12    0.0     13100.0  
C6H5CJO=C6H5+CO                         1.370E+21 -2.179 3.941E+04   
C6H5CJO+HO2=C6H5+CO2+OH                 10.0E+12     0.0      0.0   
C6H5C2H4P+H=C6H5C2H5                    3.61E13     0.0     83600.0  
C6H5C2H4S+H=C6H5C2H5                    5.00E13     0.0     83600.0  
C6H5C2H5+O2=C6H5C2H4P+HO2               2.100E+13   0.00    52800.0  
C6H5C2H5+O2=C6H5C2H4S+HO2               2.200E+12   0.00    37220.0  
C6H5C2H5+H=C6H5C2H4P+H2                 6.650E+05   2.54     6756.0  
C6H5C2H5+H=C6H5C2H4S+H2                 3.376E+05   2.36      207.0  
C6H5C2H5+OH=C6H5C2H4P+H2O                5.27E+09    0.970    1590.0  
C6H5C2H5+OH=C6H5C2H4S+H2O                2.764E+04   2.64    -1919.0  
C6H5C2H5+O=C6H5C2H4P+OH                  2.092E+06   2.424    4766.0  
C6H5C2H5+O=C6H5C2H4S+OH                  3.50E11     0.70     5882.0  
C6H5C2H5+CH3=C6H5C2H4P+CH4               9.04E-01    3.65     7154.0  
C6H5C2H5+CH3=C6H5C2H4S+CH4               3.69E+00    3.31     4002.0  
C6H5C2H5+HO2=C6H5C2H4P+H2O2              2.04E+01    3.59    17160.0  
C6H5C2H5+HO2=C6H5C2H4S+H2O2              3.69E+00    3.31     4002.0  
C6H5C2H5+CH3O2=C6H5C2H4P+CH3O2H          6.93E-01    3.97    18280.0  
C6H5C2H5+CH3O2=C6H5C2H4S+CH3O2H          4.82E+03    2.55    10530.0  
C6H5C2H5+C6H5CH2OOJ=C6H5C2H4P+C6H5CH2OOH 1.02E+03    2.50    19539.0  
C6H5C2H5+C6H5CH2OOJ=C6H5C2H4S+C6H5CH2OOH 6.80E+02    2.50    12339.0  
C6H5C2H5+C2H5=C6H5C2H4P+C2H6             5.00E+10    0.00    13400.0  
C6H5C2H5+C2H5=C6H5C2H4S+C2H6             6.70E+10    0.00     9800.0  
C6H5C2H4P+O2=HO2+STYR                    7.561E+14  -1.01     4749.0  
C6H5C2H4S+O2=HO2+STYR                    7.561E+14  -1.01     4749.0  
C6H5C2H4P+HO2=OH+CH2O+C6H5CH2J           9.000E+12 0.000 -1.000E+03   
C6H5C2H4S+HO2=OH+CH3CHO+C6H5             9.64E+12    0.00        0.0  
C6H5+C2H4=C6H5C2H4P                      2.000E+11   0.00     7800.0  
STYR+H=C6H5C2H4S                         4.240E+11   0.51     1230.0  
STYR+H=C6H5C2H4P                         2.500E+11   0.51     2620.0  
C14H14=STYLBEN+H2                    5.0E+12   0.00     60000.0 
STYLBEN=PHENA+H2                      5.0E+12   0.00     60000.0 
C14H14+O=C6H5CH2J+C6H6+CO+H                    4.96E+14   -0.34     4674.0 
C14H14+C6H5CH2J=C14H13+C6H5CH3          2.20E+11    0.00     9100.0  
C14H14+C6H5OJ=C14H13+C6H5OH             5.43E+12    0.00    20923.0  
C14H13=STYLBEN+H                        1.00E+13    0.00    38864.0  
STYR+C6H5=C14H13                         2.0E11      0.0     7.8E3 
C14H13OO=STYLBEN+HO2                      1.040E+38  -8.11   3.75E+04 
C6H5CH2J=>C7H6+H                         8.77E+34  -5.8454    96390.0     
C6H4CH3+O2=>O2C6H4CH3                    1.0E+13      0.0        0.0   
O2C6H4CH3=>C6H4CH3+O2                      6.36E19   -1.37     4.87E04  
C6H4CH3+O2=RODC6J(C)DO                  1.024E+25  -3.54     8780.0   
O2C6H4CH3=>OC6H4CH3+O                    1.64E+43   -8.82    50880.0   
O2C6H4CH3=OC6H4CH2+OH                   5.35E+43   -9.50    43440.0   
O2C6H4CH3=RODC6J(C)DO                   6.64E+46  -10.16    44320.0   
OC6H4CH3+HO2=OC6H4O+CH3+OH	                7.6E+11     0.0     43800.0 
C6H4CH3+H=C6H5CH2J+H                    1.0E+13     0.0         0.0  
HOC6H4CH3+CY13PD5J=OC6H4CH3+CY13PD	4.9E+11     0.0      9400.0 
HOC6H4CH3+C6H5OJ=OC6H4CH3+C6H5OH	4.9E+11     0.0      9400.0 
HOC6H4CH3+CY13PD5J=HOC6H4CH2+CY13PD	1.6E+11     0.0     15100.0 
HOC6H4CH3+C6H5OJ=HOC6H4CH2+C6H5OH	1.6E+11     0.0     15100.0 
HOC6H4CH3+C6H4CH3=HOC6H4CH2+C6H5CH3	7.9E+13     0.0     12000.0 
HOC6H4CH3+C6H5CH2OOJ=HOC6H4CH2+C6H5CH2OOH 4.0E+11   0.0     14000.0   
HOC6H4CH3+C6H5CH2OJ=HOC6H4CH2+C6H5CH2OH	1.6E+11     0.0     11100.0   
HOC6H4CO=C6H5OJ+CO			4.0E+14     0.0     29500.0 
C6H5CH2J+CH3=C6H5C2H5                   1.20E+13    0.00        200.0    
C6H4CH3+CH3=XYLENE                      1.2E+06     1.96    -3700.0    
C6H5CH2J+C6H5CH2J=C14H14                1.00E+13    0.00      454.0       
C2H+CY13PD5J=C7H6                       1.00E+13    0.00        0.0   
NC4H3+C3H3=C7H6                         1.00E+13    0.00        0.0   
C14H13+HO2=C6H5CH2J+C6H5CHO+OH          1.920E+13   0.00  0.000E+00  
STYR+O2=HO2+C6H5C2H2                    2.00E+13    0.00    57900.0  
STYR+O=C6H5+CH2CHO                      3.00E+08    1.45      900.0  
STYR+OH=C6H5CH2J+CH2O                   1.40E+12    0.00        0.0  
STYR+OH=C6H5CHO+CH3                     2.80E+12    0.00        0.0  
STYR+H=C6H5C2H2+H2                      6.60E+05    2.53     9200.0  
STYR+OH=C6H5C2H2+H2O                    1.50E+06    2.00      400.0  
C6H5+C2H2=C6H5C2H2                      2.70E+06    2.05      3720.0 
C6H6+C2H3=STYR+H                        5.000E+12   0.000      7E+03
STYLBEN+O2=HO2+PHCCHPH                  4.00E+13    0.00    58200.0  
STYLBEN+H=PHCCHPH+H2                    8.42E-03    4.62     2583.0  
STYLBEN+OH=PHCCHPH+H2O                  2.02E+13    0.00     5955.0  
STYLBEN+O=C6H5CJO+C6H5CH2J              7.95E+03    1.66      657.4
PHCCHPH=PHENA+H                         3.00E+13    0.0     28890.0  
PHCCHPH+O2=C6H5CJO+C6H5CHO              1.70E+29   -5.31     6500.0  
OCCXCCXCJC+CO=RODC6J(C)DO               1.51E+11    0.0      4810.0  
OCCXCCXCJC=>C2H2+HCO+C3H4-P             3.00E+13    0.0     43710.0  
OCCXCCXCJC=>C2H2+CO+C3H5-S              1.370E+21 -2.179 3.941E+04   
OCCXCCXCJC+O2=OXCCXCCXO+CH3CO           5.42E+12    0.0         0.0  
!
!
!
!
!C7 BRANCHED 2-METHYL....
!
!
!
!
!!!!!!C 8-C16 N-ALKANE MECHANISM FROM LLNL WITH ONLY HIGH TEMPERATURE RXNS (CLASSES 1-9)!!!!!!!!!!!
!
!
!

!
!     UNIMOLECULAR REACTIONS OF ALKANES
!
!  CLASS 1
!
!     DECOMPOSITION AND RECOMBINATION REACTIONS
!
!
C8H17-1+H = NC8H18       1.00E+14  0.  0.
C8H17-2+H = NC8H18       1.00E+14  0.  0.
C8H17-3+H = NC8H18       1.00E+14  0.  0.
C8H17-4+H = NC8H18       1.00E+14  0.  0.
!
C7H15-1+CH3 = NC8H18       1.00E+13  0.  0.
C6H13-1+C2H5 = NC8H18      8.00E+12  0.  0.
C5H11-1+NC3H7 = NC8H18     8.00E+12  0.  0.
PC4H9+PC4H9 = NC8H18       8.00E+12  0.  0.
!
!   
!     CLASS 2
!
!     H ATOM ABSTRACTION
!
!
NC8H18+H = C8H17-1+H2  1.330E+06  2.54  6.756E+03
NC8H18+H = C8H17-2+H2  2.600E+06  2.40  4.471E+03
NC8H18+H = C8H17-3+H2  2.600E+06  2.40  4.471E+03
NC8H18+H = C8H17-4+H2  2.600E+06  2.40  4.471E+03
!
NC8H18 + OH = C8H17-1+H2O  1.056E+10  0.97  1.590E+03
NC8H18 + OH = C8H17-2+H2O  9.400E+07  1.61 -3.500E+01
NC8H18 + OH = C8H17-3+H2O  9.400E+07  1.61 -3.500E+01
NC8H18 + OH = C8H17-4+H2O  9.400E+07  1.61 -3.500E+01
!
NC8H18+O = C8H17-1 + OH  1.960E+06  2.43  4.750E+03
NC8H18+O = C8H17-2 + OH  1.100E+06  2.45  2.830E+03
NC8H18+O = C8H17-3 + OH  1.100E+06  2.45  2.830E+03
NC8H18+O = C8H17-4 + OH  1.100E+06  2.45  2.830E+03
!
NC8H18+HO2 = C8H17-1+H2O2  4.080E+01   3.59  1.716E+04
NC8H18+HO2 = C8H17-2+H2O2  1.264E+02   3.37  1.372E+04
NC8H18+HO2 = C8H17-3+H2O2  1.264E+02   3.37  1.372E+04
NC8H18+HO2 = C8H17-4+H2O2  1.264E+02   3.37  1.372E+04
!
NC8H18+CH3 = C8H17-1+CH4  9.060E-01  3.65  7.154E+03
NC8H18+CH3 = C8H17-2+CH4  3.020E+00  3.46  5.481E+03
NC8H18+CH3 = C8H17-3+CH4  3.020E+00  3.46  5.481E+03
NC8H18+CH3 = C8H17-4+CH4  3.020E+00  3.46  5.481E+03
!
NC8H18 + O2 = C8H17-1+HO2  6.000E+13  0.00  5.229E+04
NC8H18 + O2 = C8H17-2+HO2  4.000E+13  0.00  4.964E+04
NC8H18 + O2 = C8H17-3+HO2  4.000E+13  0.00  4.964E+04
NC8H18 + O2 = C8H17-4+HO2  4.000E+13  0.00  4.964E+04
!
NC8H18+C2H3 = C8H17-1+C2H4  1.000E+12  0.00  1.800E+04
NC8H18+C2H3 = C8H17-2+C2H4  8.000E+11  0.00  1.680E+04
NC8H18+C2H3 = C8H17-3+C2H4  8.000E+11  0.00  1.680E+04
NC8H18+C2H3 = C8H17-4+C2H4  8.000E+11  0.00  1.680E+04
!
NC8H18+C2H5 = C8H17-1+C2H6  1.000E+11  0.00  1.340E+04
NC8H18+C2H5 = C8H17-2+C2H6  1.000E+11  0.00  1.040E+04
NC8H18+C2H5 = C8H17-3+C2H6  1.000E+11  0.00  1.040E+04
NC8H18+C2H5 = C8H17-4+C2H6  1.000E+11  0.00  1.040E+04
!
!
NC8H18+CH3O<=>C8H17-1+CH3OH 4.340E+11 0.00 6.458E+03
NC8H18+CH3O<=>C8H17-2+CH3OH 2.900E+11 0.00 4.571E+03
NC8H18+CH3O<=>C8H17-3+CH3OH 2.900E+11 0.00 4.571E+03
NC8H18+CH3O<=>C8H17-4+CH3OH 2.900E+11 0.00 4.571E+03
!
!
NC8H18+CH3O2<=>C8H17-1+CH3O2H 1.386E+00   3.97  1.828E+04
NC8H18+CH3O2<=>C8H17-2+CH3O2H 2.037E+01   3.58  1.481E+04
NC8H18+CH3O2<=>C8H17-3+CH3O2H 2.037E+01   3.58  1.481E+04
NC8H18+CH3O2<=>C8H17-4+CH3O2H 2.037E+01   3.58  1.481E+04
!
!
!
NC8H18 + O2CHO<=>C8H17-1+HO2CHO 1.680E+13 0.00 2.044E+04
NC8H18 + O2CHO<=>C8H17-2+HO2CHO 1.120E+13 0.00 1.769E+04
NC8H18 + O2CHO<=>C8H17-3+HO2CHO 1.120E+13 0.00 1.769E+04
NC8H18 + O2CHO<=>C8H17-4+HO2CHO 1.120E+13 0.00 1.769E+04
!
!
!      CLASS 3
!
!     ALKYL DECOMPOSITION
!
!
C8H17-1 = C2H4+C6H13-1    9.12E+11  0.31   27238.0
H+C8H16-1 = C8H17-1       2.500E+11 0.51 2620.0
!
C8H17-2 = C3H6+C5H11-1    6.00E+11  0.50   27650.0
H+C8H16-1 = C8H17-2       4.240E+11 0.51 1230.0
H+C8H16-2 = C8H17-2       2.500E+11 0.51 2620.0
!
C8H17-3 = C4H8-1+PC4H9    6.00E+11  0.50   27650.0
C8H17-3 = CH3+C7H14-1     9.55E+09  1.08   29388.0
H+C8H16-2 = C8H17-3       2.500E+11 0.51 2620.0
H+C8H16-3 = C8H17-3       2.500E+11 0.51 2620.0
!
C8H17-4 = C5H10-1+NC3H7   6.00E+11  0.50   27650.0
C8H17-4 = C2H5+C6H12-1    6.00E+11  0.50   27650.0
H+C8H16-3 = C8H17-4       2.500E+11 0.51 2620.0
H+C8H16-4 = C8H17-4       2.500E+11 0.51 2620.0
!
!
!    CLASS 4    ALKYL RADICAL ISOMERIZATION
!
!    INCLUDE 3, 4, 5, AND 6 MEMBERED TRANSITION STATE RINGS
!
!
C8H17-1  =  C8H17-3    2.96E+00  3.08  1.102E+04    !TSANG 2009 1-OCTYL=3-OCTYL 7M P-S   

C8H17-1  =  C8H17-4    6.92E+00  3.20  1.6558E+04    !TSANG 2007 1-C6H13=3-C6H13 5M P-S
    DUPLICATE

C8H17-1  =  C8H17-4    1.82E+02  2.55  1.0960E+04    !TSANG 2007 1-C6H13=2-C6H13  6M P-S
    DUPLICATE
   
C8H17-2  =  C8H17-4    1.42E+00   3.32  1.614E+04 !TSANG 2009 2-OCTYL=4OCTYL, 5M S-S

C8H17-2  =  C8H17-3    1.86E+00  3.27  1.320E+04  !TSANG 2009 2-OCTYL=3OCTYL, 6M S-S
!
!
!    CLASS 5    H ATOM ABSTRACTION FROM OLEFINS
!
!!
!
C8H16-1+HO2<=>C8H15+H2O2 5.060E+02   3.37  1.372E+04
C8H16-2+HO2<=>C8H15+H2O2 5.060E+02   3.37  1.372E+04
C8H16-3+HO2<=>C8H15+H2O2 5.060E+02   3.37  1.372E+04
C8H16-4+HO2<=>C8H15+H2O2 5.060E+02   3.37  1.372E+04
!
C8H16-1 + OH  =  C8H15+H2O  3.740E+08  1.61 -3.500E+01
C8H16-2 + OH  =  C8H15+H2O  3.740E+08  1.61 -3.500E+01
C8H16-3 + OH  =  C8H15+H2O  3.740E+08  1.61 -3.500E+01
C8H16-4 + OH  =  C8H15+H2O  3.740E+08  1.61 -3.500E+01
!
C8H16-1+H  =  C8H15+H2  1.040E+07  2.40  4.471E+03
C8H16-2+H  =  C8H15+H2  1.040E+07  2.40  4.471E+03
C8H16-3+H  =  C8H15+H2  1.040E+07  2.40  4.471E+03
C8H16-4+H  =  C8H15+H2  1.040E+07  2.40  4.471E+03
!
C8H16-1+CH3 =  C8H15+CH4  1.210E+01  3.46  5.481E+03
C8H16-2+CH3 =  C8H15+CH4  1.210E+01  3.46  5.481E+03
C8H16-3+CH3 =  C8H15+CH4  1.210E+01  3.46  5.481E+03
C8H16-4+CH3 =  C8H15+CH4  1.210E+01  3.46  5.481E+03
!
C8H16-1+O  =  C8H15 + OH  4.420E+06  2.45  2.830E+03
C8H16-2+O  =  C8H15 + OH  4.420E+06  2.45  2.830E+03
C8H16-3+O  =  C8H15 + OH  4.420E+06  2.45  2.830E+03
C8H16-4+O  =  C8H15 + OH  4.420E+06  2.45  2.830E+03
!
!
!
!
!    CLASS 6    ADDITION REACTIONS WITH OLEFINS
!
C8H16-1 + OH = CH2O+C7H15-1     1.000E+11  0.00 -4.000E+03
    REV /  0.000E+00  0.00  0.000E+00 /
C8H16-1 + OH = CH3CHO+C6H13-1   1.000E+11  0.00 -4.000E+03
    REV /  0.000E+00  0.00  0.000E+00 /
C8H16-1+O  = CH2CHO+C6H13-1   1.000E+11  0.00 -1.050E+03
    REV /  0.000E+00  0.00  0.000E+00 /
C8H16-2 + OH = CH3CHO+C6H13-1   1.000E+11  0.00 -4.000E+03
    REV /  0.000E+00  0.00  0.000E+00 /
C8H16-2 + OH = C2H5CHO+C5H11-1  1.000E+11  0.00 -4.000E+03
    REV /  0.000E+00  0.00  0.000E+00 /
C8H16-2+O  = CH3CHO+C6H12-1   1.000E+11  0.00 -1.050E+03
    REV /  0.000E+00  0.00  0.000E+00 /
C8H16-3 + OH = C2H5CHO+C5H11-1  1.000E+11  0.00 -4.000E+03
    REV /  0.000E+00  0.00  0.000E+00 /
C8H16-3 + OH = NC3H7CHO+PC4H9   1.000E+11  0.00 -4.000E+03
    REV /  0.000E+00  0.00  0.000E+00 /
C8H16-3+O  = C2H5CHO+C5H10-1  1.000E+11  0.00 -1.050E+03
    REV /  0.000E+00  0.00  0.000E+00 /
C8H16-4 + OH = NC3H7CHO+PC4H9   1.000E+11  0.00 -4.000E+03
    REV /  0.000E+00  0.00  0.000E+00 /
C8H16-4+O  = NC3H7CHO+C4H8-1  1.000E+11  0.00 -1.050E+03
    REV /  0.000E+00  0.00  0.000E+00 /
!
!
!
! CLASS 7
!
!
!
!
C8H15+HO2<=>AC3H5CHO+PC4H9 + OH 9.640E+12 0.00 0.000E+00
C8H15+CH3O2<=>AC3H5CHO+PC4H9+CH3O 9.640E+12 0.00 0.000E+00
C8H15+C2H5O2<=>AC3H5CHO+PC4H9+C2H5O 9.640E+12 0.00 0.000E+00
!
!
!
!    CLASS 8    ALKENYL RADICAL DECOMPOSITION
!        GLOBAL REACTIONS
!
C8H15 = C2H3+C6H12-1       2.50E+13  0.00  3.500E+04
    REV /  1.000E+11  0.00  9.600E+03 /
C8H15 = C3H5-A+C5H10-1    2.50E+13  0.00  2.500E+04
    REV /  1.000E+11  0.00  9.600E+03 /
C8H15 = C4H71-1+C4H8-1    2.50E+13  0.00  3.000E+04
    REV /  1.000E+11  0.00  9.600E+03 /
C8H15 = C5H91-5+C3H6      2.50E+13  0.00  3.000E+04
    REV /  1.000E+11  0.00  9.600E+03 /
C8H15 = C6H111-6+C2H4     2.50E+13  0.00  3.000E+04
    REV /  1.000E+11  0.00  9.600E+03 /
!
!
!
!
!
!    CLASS 9    OLEFIN DECOMPOSITION
!
!
C8H16-1 = C5H11-1+C3H5-A       2.500E+16  0.00  7.100E+04
REV /  1.000E+13  0.00  0.000E+00 /
C8H16-2 = C4H71-1+PC4H9       2.500E+16  0.00  7.100E+04
REV /  1.000E+13  0.00  0.000E+00 /
C8H16-3 = C5H91-5+NC3H7       2.500E+16  0.00  7.100E+04
REV /  1.000E+13  0.00  0.000E+00 /
C8H16-4 = C6H111-6+C2H5       2.500E+16  0.00  7.100E+04
REV /  1.000E+13  0.00  0.000E+00 /
! 
!                                                          
!       CLASS 10    RETROENE REACTIONS                                                  
!                                                           
!                                                           
C8H16-1      =     C5H10-1      +     C3H6    3.98E+12        0       57629                                                           
!
!
C8H16-2      =     C4H8-1       +     C4H8-1  3.98E+12        0       57629                                                           
!
!
C8H16-3      =     C3H6         +     C5H10-1    3.98E+12        0       57629                                                           
!
C8H16-4      =     C2H4         +     C6H12-1    3.98E+12        0       57629                                                           
!
!                                                           
!                                                           
!                             
!     CLASS 11
!
!    ADDITION OF O2 TO ALKYL RADICALS
!
C8H17-1        +        O2        =        C8H17O2-1        4.520E+12  0.00  0.000E+00
C8H17-2        +        O2        =        C8H17O2-2        7.540E+12  0.00  0.000E+00
C8H17-3        +        O2        =        C8H17O2-3        7.540E+12  0.00  0.000E+00
C8H17-4        +        O2        =        C8H17O2-4        7.540E+12  0.00  0.000E+00
!
!
!     CLASS 12
!
!    R + RO2  =  RO + RO
!
!
C8H17-1+C8H17O2-1 = C8H17O-1+C8H17O-1      7.000E+12  0.00 -1.000E+03
C8H17-1+C8H17O2-2 = C8H17O-1+C8H17O-2      7.000E+12  0.00 -1.000E+03
C8H17-1+C8H17O2-3 = C8H17O-1+C8H17O-3      7.000E+12  0.00 -1.000E+03
C8H17-1+C8H17O2-4 = C8H17O-1+C8H17O-4      7.000E+12  0.00 -1.000E+03
C8H17-2+C8H17O2-1 = C8H17O-2+C8H17O-1      7.000E+12  0.00 -1.000E+03
C8H17-2+C8H17O2-2 = C8H17O-2+C8H17O-2      7.000E+12  0.00 -1.000E+03
C8H17-2+C8H17O2-3 = C8H17O-2+C8H17O-3      7.000E+12  0.00 -1.000E+03
C8H17-2+C8H17O2-4 = C8H17O-2+C8H17O-4      7.000E+12  0.00 -1.000E+03
C8H17-3+C8H17O2-1 = C8H17O-3+C8H17O-1      7.000E+12  0.00 -1.000E+03
C8H17-3+C8H17O2-2 = C8H17O-3+C8H17O-2      7.000E+12  0.00 -1.000E+03
C8H17-3+C8H17O2-3 = C8H17O-3+C8H17O-3      7.000E+12  0.00 -1.000E+03
C8H17-3+C8H17O2-4 = C8H17O-3+C8H17O-4      7.000E+12  0.00 -1.000E+03
C8H17-4+C8H17O2-1 = C8H17O-4+C8H17O-1      7.000E+12  0.00 -1.000E+03
C8H17-4+C8H17O2-2 = C8H17O-4+C8H17O-2      7.000E+12  0.00 -1.000E+03
C8H17-4+C8H17O2-3 = C8H17O-4+C8H17O-3      7.000E+12  0.00 -1.000E+03
C8H17-4+C8H17O2-4 = C8H17O-4+C8H17O-4      7.000E+12  0.00 -1.000E+03
!
!
!
!     CLASS 13
!
!    R + HO2  =  RO + OH REACTIONS
!
C8H17-1+HO2 = C8H17O-1 + OH   7.000E+12  0.00 -1.000E+03
C8H17-2+HO2 = C8H17O-2 + OH  7.000E+12  0.00 -1.000E+03
C8H17-3+HO2 = C8H17O-3 + OH  7.000E+12  0.00 -1.000E+03
C8H17-4+HO2 = C8H17O-4 + OH  7.000E+12  0.00 -1.000E+03
!

!     CLASS 14
!
!    R + CH3O2  =  RO + OH REACTIONS
!
C8H17-1+CH3O2 = C8H17O-1+CH3O   7.000E+12  0.00 -1.000E+03
C8H17-2+CH3O2 = C8H17O-2+CH3O  7.000E+12  0.00 -1.000E+03
C8H17-3+CH3O2 = C8H17O-3+CH3O  7.000E+12  0.00 -1.000E+03
C8H17-4+CH3O2 = C8H17O-4+CH3O  7.000E+12  0.00 -1.000E+03
!
!      CLASS 15
!
!    RO2 ISOMERIZATION
!      INCLUDES TRANSITION STATE RINGS OF 5, 6, 7, AND 8 ATOMS
!
C8H17O2-1  = C8OOH1-2    2.000E+11  0.00  2.645E+04
C8H17O2-1  = C8OOH1-3    2.500E+10  0.00  2.045E+04
C8H17O2-1  = C8OOH1-4    3.125E+09  0.00  1.865E+04
C8H17O2-1  = C8OOH1-5    3.906E+08  0.00  2.165E+04
C8H17O2-2  = C8OOH2-1    3.000E+11  0.00  2.900E+04
C8H17O2-2  = C8OOH2-3    2.000E+11  0.00  2.645E+04
C8H17O2-2  = C8OOH2-4    2.500E+10  0.00  2.045E+04
C8H17O2-2  = C8OOH2-5    3.125E+09  0.00  1.865E+04
C8H17O2-2  = C8OOH2-6    3.906E+08  0.00  2.165E+04
C8H17O2-3  = C8OOH3-1    3.750E+10  0.00  2.400E+04
C8H17O2-3  = C8OOH3-2    2.000E+11  0.00  2.645E+04
C8H17O2-3  = C8OOH3-4    2.000E+11  0.00  2.645E+04
C8H17O2-3  = C8OOH3-5    2.500E+10  0.00  2.045E+04
C8H17O2-3  = C8OOH3-6    3.125E+09  0.00  1.865E+04
C8H17O2-3  = C8OOH3-7    3.906E+08  0.00  2.165E+04
C8H17O2-4  = C8OOH4-1    4.680E+09  0.00  2.195E+04
C8H17O2-4  = C8OOH4-2    2.500E+10  0.00  2.045E+04
C8H17O2-4  = C8OOH4-3    2.000E+11  0.00  2.645E+04
C8H17O2-4  = C8OOH4-5    2.000E+11  0.00  2.645E+04
C8H17O2-4  = C8OOH4-6    2.500E+10  0.00  2.045E+04
C8H17O2-4  = C8OOH4-7    3.125E+09  0.00  1.865E+04
C8H17O2-4  = C8OOH4-8    5.860E+08  0.00  2.515E+04
!
!
!
!  CLASS 16 RO2=HO2+ALKENE DIRECT ELIMINATION OF HO2 AND ALKENE FROM RO2
!
!
!
!
!
C8H17O2-1<=>C8H16-1+HO2 4.308E+36 -7.50 3.951E+04  
C8H17O2-2<=>C8H16-1+HO2 5.920E+42 -9.43 4.153E+04  
C8H17O2-2<=>C8H16-2+HO2 4.308E+36 -7.50 3.951E+04  
C8H17O2-3<=>C8H16-2+HO2 4.308E+36 -7.50 3.951E+04  
C8H17O2-3<=>C8H16-3+HO2 4.308E+36 -7.50 3.951E+04  
C8H17O2-4<=>C8H16-3+HO2  4.308E+36 -7.50 3.951E+04  
C8H17O2-4<=>C8H16-4+HO2  4.308E+36 -7.50 3.951E+04  
!
!
!
!
!     CLASS 17   RO2 + HO2  =  ROOH + O2
!
!
!
C8H17O2-1+HO2  =  C8H17O2H-1 + O2  1.750E+10  0.00 -3.275E+03
C8H17O2-2+HO2  =  C8H17O2H-2 + O2  1.750E+10  0.00 -3.275E+03
C8H17O2-3+HO2  =  C8H17O2H-3 + O2  1.750E+10  0.00 -3.275E+03
C8H17O2-4+HO2  =  C8H17O2H-4 + O2  1.750E+10  0.00 -3.275E+03
!
!
!     CLASS 18   RO2 + H2O2  =  ROOH + HO2
!
!
C8H17O2-1+H2O2 = C8H17O2H-1+HO2  2.400E+12  0.00  1.000E+04
C8H17O2-2+H2O2 = C8H17O2H-2+HO2  2.400E+12  0.00  1.000E+04
C8H17O2-3+H2O2 = C8H17O2H-3+HO2  2.400E+12  0.00  1.000E+04
C8H17O2-4+H2O2 = C8H17O2H-4+HO2  2.400E+12  0.00  1.000E+04
!
!
!
!     CLASS 19   RO2 + CH3O2  =  RO + CH3O + O2
!
!
!
C8H17O2-1+CH3O2 = C8H17O-1+CH3O + O2  1.400E+16  -1.61  1.860E+03
    REV /  0.000E+00  0.00  0.000E+00 /
C8H17O2-2+CH3O2 = C8H17O-2+CH3O + O2  1.400E+16  -1.61  1.860E+03
    REV /  0.000E+00  0.00  0.000E+00 /
C8H17O2-3+CH3O2 = C8H17O-3+CH3O + O2  1.400E+16  -1.61  1.860E+03
    REV /  0.000E+00  0.00  0.000E+00 /
C8H17O2-4+CH3O2 = C8H17O-4+CH3O + O2  1.400E+16  -1.61  1.860E+03
    REV /  0.000E+00  0.00  0.000E+00 /
!
!
!
!
!     CLASS 20
!
!    RO2 + RO2  =  RO + RO + O2
!
!
C8H17O2-1 + C8H17O2-1  =  C8H17O-1 + C8H17O-1 + O2  1.400E+16  -1.61  1.860E+03
    REV /  0.000E+00  0.00  0.000E+00 /
C8H17O2-1 + C8H17O2-2  =  C8H17O-1 + C8H17O-2 + O2  1.400E+16  -1.61  1.860E+03
    REV /  0.000E+00  0.00  0.000E+00 /
C8H17O2-1 + C8H17O2-3  =  C8H17O-1 + C8H17O-3 + O2  1.400E+16  -1.61  1.860E+03
    REV /  0.000E+00  0.00  0.000E+00 /
C8H17O2-1 + C8H17O2-4  =  C8H17O-1 + C8H17O-4 + O2  1.400E+16  -1.61  1.860E+03
    REV /  0.000E+00  0.00  0.000E+00 /
!
C8H17O2-2 + C8H17O2-2  =  C8H17O-2 + C8H17O-2 + O2  1.400E+16  -1.61  1.860E+03
    REV /  0.000E+00  0.00  0.000E+00 /
C8H17O2-2 + C8H17O2-3  =  C8H17O-2 + C8H17O-3 + O2  1.400E+16  -1.61  1.860E+03
    REV /  0.000E+00  0.00  0.000E+00 /
C8H17O2-2 + C8H17O2-4  =  C8H17O-2 + C8H17O-4 + O2  1.400E+16  -1.61  1.860E+03
    REV /  0.000E+00  0.00  0.000E+00 /
!
C8H17O2-3 + C8H17O2-3  =  C8H17O-3 + C8H17O-3 + O2  1.400E+16  -1.61  1.860E+03
    REV /  0.000E+00  0.00  0.000E+00 /
C8H17O2-3 + C8H17O2-4  =  C8H17O-3 + C8H17O-4 + O2  1.400E+16  -1.61  1.860E+03
    REV /  0.000E+00  0.00  0.000E+00 /
!
C8H17O2-4 + C8H17O2-4  =  C8H17O-4 + C8H17O-4 + O2  1.400E+16  -1.61  1.860E+03
    REV /  0.000E+00  0.00  0.000E+00 /
!
!
!
!    CLASS 21
!
!    ROOH  =  RO + OH
!
C8H17O2H-1  =  C8H17O-1 + OH  1.000E+16 0.00 3.900E+04 
C8H17O2H-2  =  C8H17O-2 + OH  1.000E+16 0.00 3.900E+04
C8H17O2H-3  =  C8H17O-3 + OH  1.000E+16 0.00 3.900E+04
C8H17O2H-4  =  C8H17O-4 + OH  1.000E+16 0.00 3.900E+04
!
!
!
!
!   CLASS 22   ALKOXY RADICAL DECOMPOSITION
!
!
CH2O+C7H15-1 = C8H17O-1    1.00E+11  0.  11900.
CH3CHO+C6H13-1 = C8H17O-2      1.00E+11  0.  11900.
C2H5CHO+C5H11-1 = C8H17O-3     1.00E+11  0.  11900.
NC3H7CHO+PC4H9 = C8H17O-4      1.00E+11  0.  11900.
!
!
!
!
!      CLASS 23
!
!     QOOH = CYCLIC ETHER + OH
!
!
!
C8OOH1-2  =  C8O1-2 + OH  6.000E+11  0.00  2.200E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8OOH2-1  =  C8O1-2 + OH  6.000E+11  0.00  2.200E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8OOH2-3  =  C8O2-3 + OH  6.000E+11  0.00  2.200E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8OOH3-2  =  C8O2-3 + OH  6.000E+11  0.00  2.200E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8OOH3-4  =  C8O3-4 + OH  6.000E+11  0.00  2.200E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8OOH4-3  =  C8O3-4 + OH  6.000E+11  0.00  2.200E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8OOH4-5  =  C8O4-5 + OH  6.000E+11  0.00  2.200E+04
    REV /  0.000E+00  0.00  0.000E+00 /
!
!
C8OOH1-3  =  C8O1-3 + OH  7.500E+10  0.00  1.525E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8OOH3-1  =  C8O1-3 + OH  7.500E+10  0.00  1.525E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8OOH2-4  =  C8O2-4 + OH  7.500E+10  0.00  1.525E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8OOH4-2  =  C8O2-4 + OH  7.500E+10  0.00  1.525E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8OOH3-5  =  C8O3-5 + OH  7.500E+10  0.00  1.525E+04
    REV /  0.000E+00  0.00  0.000E+00 /
!
C8OOH1-4  =  C8O1-4 + OH  9.375E+09  0.00  7.000E+03
    REV /  0.000E+00  0.00  0.000E+00 /
C8OOH4-1  =  C8O1-4 + OH  9.375E+09  0.00  7.000E+03
    REV /  0.000E+00  0.00  0.000E+00 /
C8OOH2-5  =  C8O2-5 + OH  9.375E+09  0.00  7.000E+03
    REV /  0.000E+00  0.00  0.000E+00 /
C8OOH4-7  =  C8O2-5 + OH  9.375E+09  0.00  7.000E+03
    REV /  0.000E+00  0.00  0.000E+00 /
C8OOH3-6  =  C8O3-6 + OH  9.375E+09  0.00  7.000E+03
    REV /  0.000E+00  0.00  0.000E+00 /
!
!
!
!
C8OOH1-5  =  C8O1-5 + OH  1.172E+09  0.00  1.800E+03
    REV /  0.000E+00  0.00  0.000E+00 /
C8OOH4-8  =  C8O1-5 + OH  1.172E+09  0.00  1.800E+03
    REV /  0.000E+00  0.00  0.000E+00 /
C8OOH2-6  =  C8O2-6 + OH  1.172E+09  0.00  1.800E+03
    REV /  0.000E+00  0.00  0.000E+00 /
C8OOH3-7  =  C8O2-6 + OH  1.172E+09  0.00  1.800E+03
    REV /  0.000E+00  0.00  0.000E+00 /
!
!
!
!
!      CLASS 24
!
!     QOOH  =  Q + HO2
!
!
!
C8H16-1+HO2 = C8OOH1-2  1.00E+11  0.00   1.19E+04 
C8H16-1+HO2 = C8OOH2-1  1.00E+11  0.00   1.19E+04
C8H16-2+HO2 = C8OOH2-3  1.00E+11  0.00   1.19E+04
C8H16-2+HO2 = C8OOH3-2  1.00E+11  0.00   1.19E+04
C8H16-3+HO2 = C8OOH3-4  1.00E+11  0.00   1.19E+04
C8H16-3+HO2 = C8OOH4-3  1.00E+11  0.00   1.19E+04
C8H16-4+HO2 = C8OOH4-5  1.00E+11  0.00   1.19E+04
!
!
!
!
!
!
!    CLASS 25    BETA DECOMPOSITION OF ROOH
!
C8OOH1-3  =  OH+CH2O+C7H14-1      1.00E+13   0.00   3.0E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8OOH2-4  =  OH+CH3CHO+C6H12-1    1.00E+13   0.00   3.0E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8OOH3-1  =  OH+C2H4+NC5H11CHO    1.00E+13   0.00   3.0E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8OOH3-5  =  OH+C2H5CHO+C5H10-1       1.00E+13   0.00   3.0E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8OOH4-2  =  OH+C3H6+NC4H9CHO     1.00E+13   0.00   3.0E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8OOH4-6  =  OH+NC3H7CHO+C4H8-1       1.00E+13   0.00   3.0E+04
    REV /  0.000E+00  0.00  0.000E+00 /
!
!
!
!     CLASS 26     QOOH + O2  =  O2QOOH
!
!   ADDITION OF SECOND O2
!
!
C8OOH1-2        +        O2        =        C8OOH1-2O2        7.54E+12        0        0.00E+00
C8OOH1-3        +        O2        =        C8OOH1-3O2        7.54E+12        0        0.00E+00
C8OOH1-4        +        O2        =        C8OOH1-4O2        7.54E+12        0        0.00E+00
C8OOH1-5        +        O2        =        C8OOH1-5O2        7.54E+12        0        0.00E+00
!
C8OOH2-1        +        O2        =        C8OOH2-1O2        4.52E+12        0        0.00E+00
C8OOH2-3        +        O2        =        C8OOH2-3O2        7.54E+12        0        0.00E+00
C8OOH2-4        +        O2        =        C8OOH2-4O2        7.54E+12        0        0.00E+00
C8OOH2-5        +        O2        =        C8OOH2-5O2        7.54E+12        0        0.00E+00
C8OOH2-6        +        O2        =        C8OOH2-6O2        7.54E+12        0        0.00E+00
!
C8OOH3-1        +        O2        =        C8OOH3-1O2        4.52E+12        0        0.00E+00
C8OOH3-2        +        O2        =        C8OOH3-2O2        7.54E+12        0        0.00E+00
C8OOH3-4        +        O2        =        C8OOH3-4O2        7.54E+12        0        0.00E+00
C8OOH3-5        +        O2        =        C8OOH3-5O2        7.54E+12        0        0.00E+00
C8OOH3-6        +        O2        =        C8OOH3-6O2        7.54E+12        0        0.00E+00
C8OOH3-7        +        O2        =        C8OOH3-7O2        7.54E+12        0        0.00E+00
!
C8OOH4-1        +        O2        =        C8OOH4-1O2        4.52E+12        0        0.00E+00
C8OOH4-2        +        O2        =        C8OOH4-2O2        7.54E+12        0        0.00E+00
C8OOH4-3        +        O2        =        C8OOH4-3O2        7.54E+12        0        0.00E+00
C8OOH4-5        +        O2        =        C8OOH4-5O2        7.54E+12        0        0.00E+00
C8OOH4-6        +        O2        =        C8OOH4-6O2        7.54E+12        0        0.00E+00
C8OOH4-7        +        O2        =        C8OOH4-7O2        7.54E+12        0        0.00E+00
C8OOH4-8        +        O2        =        C8OOH4-8O2        4.52E+12        0        0.00E+00
!
!

!
!     CLASS 27    PRODUCTION OF KETOHYDROPEROXIDES
!
!     ALTERNATIVE PATHWAYS NOT YET INCLUDED
!
C8OOH1-2O2  =  C8KET1-2 + OH  2.000E+11  0.00  2.600E+04
C8OOH1-3O2  =  C8KET1-3 + OH  2.500E+10  0.00  2.100E+04
C8OOH1-4O2  =  C8KET1-4 + OH  3.125E+09  0.00  1.895E+04
C8OOH1-5O2  =  C8KET1-5 + OH  3.906E+08  0.00  2.215E+04
!
C8OOH2-1O2  =  C8KET2-1 + OH  1.000E+11  0.00  2.345E+04
C8OOH2-3O2  =  C8KET2-3 + OH  1.000E+11  0.00  2.345E+04
C8OOH2-4O2  =  C8KET2-4 + OH  1.250E+10  0.00  1.745E+04
C8OOH2-5O2  =  C8KET2-5 + OH  1.563E+09  0.00  1.565E+04
C8OOH2-6O2  =  C8KET2-6 + OH  1.953E+08  0.00  1.865E+04
!
C8OOH3-1O2  =  C8KET3-1 + OH  1.250E+10  0.00  1.745E+04
C8OOH3-2O2  =  C8KET3-2 + OH  1.000E+11  0.00  2.345E+04
C8OOH3-4O2  =  C8KET3-4 + OH  1.000E+11  0.00  2.345E+04
C8OOH3-5O2  =  C8KET3-5 + OH  1.250E+10  0.00  1.745E+04
C8OOH3-6O2  =  C8KET3-6 + OH  1.563E+09  0.00  1.565E+04
C8OOH3-7O2  =  C8KET3-7 + OH  1.953E+08  0.00  1.865E+04
!
C8OOH4-1O2  =  C8KET4-1 + OH  1.563E+09  0.00  1.565E+04
C8OOH4-2O2  =  C8KET4-2 + OH  1.250E+10  0.00  1.745E+04
C8OOH4-3O2  =  C8KET4-3 + OH  1.000E+11  0.00  2.345E+04
C8OOH4-5O2  =  C8KET4-5 + OH  1.000E+11  0.00  2.345E+04
C8OOH4-6O2  =  C8KET4-6 + OH  1.250E+10  0.00  1.745E+04
C8OOH4-7O2  =  C8KET4-7 + OH  1.563E+09  0.00  1.565E+04
C8OOH4-8O2  =  C8KET4-8 + OH  1.953E+08  0.00  1.865E+04
!
!
!
!     CLASS 28   KETOHYDROPEROXIDE DECOMP.
!
!
C8KET1-2  = OH+HCO+NC6H13CHO      1.000E+16  0.00  3.900E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8KET1-3  = OH+CH2CHO+NC5H11CHO   1.000E+16  0.00  3.900E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8KET1-4  = OH+CH2CH2CHO+NC4H9CHO  1.000E+16  0.00  3.900E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8KET1-5  = OH+C3H6CHO-1+NC3H7CHO  1.000E+16  0.00  3.900E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8KET2-1  = OH+CH2O+NC6H13CO       1.000E+16  0.00  3.900E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8KET2-3  = OH+CH3CO+NC5H11CHO     1.000E+16  0.00  3.900E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8KET2-4  = OH+CH3COCH2+NC4H9CHO   1.000E+16  0.00  3.900E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8KET2-5  = OH+CH2CH2COCH3+NC3H7CHO  1.000E+16  0.00  3.900E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8KET2-6  = OH+C3H6COCH3-1+C2H5CHO     1.000E+16  0.00  3.900E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8KET3-1  = OH+CH2O+C5H11COCH2     1.000E+16  0.00  3.900E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8KET3-2  = OH+CH3CHO+NC5H11CO      1.000E+16  0.00  3.900E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8KET3-4  = OH+C2H5CO+NC4H9CHO      1.000E+16  0.00  3.900E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8KET3-5  = OH+C2H5COCH2+NC3H7CHO  1.000E+16  0.00  3.900E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8KET3-6  = OH+C2H5COC2H4P+C2H5CHO  1.000E+16  0.00  3.900E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8KET3-7  = OH+C3H6COC2H5-1+CH3CHO  1.000E+16  0.00  3.900E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8KET4-1  = OH+CH2O+C4COC2H4P   1.000E+16  0.00  3.900E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8KET4-2  = OH+CH3CHO+NC4H9COCH2    1.000E+16  0.00  3.900E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8KET4-3  = OH+C2H5CHO+NC4H9CO      1.000E+16  0.00  3.900E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8KET4-5  = OH+NC3H7CO+NC3H7CHO     1.000E+16  0.00  3.900E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8KET4-6  = OH+NC3H7COCH2+C2H5CHO  1.000E+16  0.00  3.900E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8KET4-7  = OH+NC3H7COC2H4P+CH3CHO 1.000E+16  0.00  3.900E+04
    REV /  0.000E+00  0.00  0.000E+00 /
C8KET4-8  = OH+C3COC3H6P+CH2O  1.000E+16  0.00  3.900E+04
    REV /  0.000E+00  0.00  0.000E+00 /
!
!
!

!
!     CLASS 29   REACTIONS OF CYCLIC ETHERS
!
!
C8O1-2 + OH = C2H3CHO+C5H11-1+H2O      2.50E+12  0.00  0.00
    REV /  0.00  0.00  0.00   /
C8O1-2 + OH = CH2CO+C6H13-1+H2O        2.50E+12  0.00  0.00
    REV /  0.00  0.00  0.00   /
C8O1-3 + OH = C7H14-1+HCO+H2O          2.50E+12  0.00  0.00
    REV /  0.00  0.00  0.00   /
C8O1-3 + OH = C2H4+NC5H11CO+H2O         2.50E+12  0.00  0.00
    REV /  0.00  0.00  0.00   /
C8O1-4 + OH = CH2CHO+C6H12-1+H2O       2.50E+12  0.00  0.00
    REV /  0.00  0.00  0.00   /
C8O1-4 + OH = C2H4+NC4H9COCH2+H2O      2.50E+12  0.00  0.00  
    REV /  0.00  0.00  0.00   /
C8O1-5 + OH = CH2CH2CHO+C5H10-1+H2O    2.50E+12  0.00  0.00
    REV /  0.00  0.00  0.00   /
C8O1-5 + OH = C2H4+NC3H7COC2H4P+H2O    2.50E+12  0.00  0.00  
    REV /  0.00  0.00  0.00   /
C8O2-3 + OH = C2H3COCH3+PC4H9+H2O      2.50E+12  0.00  0.00
    REV /  0.00  0.00  0.00   /
C8O2-3 + OH = CH3CHCO+C5H11-1+H2O      2.50E+12  0.00  0.00
    REV /  0.00  0.00  0.00   /
C8O2-4 + OH = CH3CO+C6H12-1+H2O        2.50E+12  0.00  0.00
    REV /  0.00  0.00  0.00   /
C8O2-4 + OH = C3H6+NC4H9CO+H2O         2.50E+12  0.00  0.00  
    REV /  0.00  0.00  0.00   /
C8O2-5 + OH = CH3COCH2+C5H10-1+H2O     2.50E+12  0.00  0.00
    REV /  0.00  0.00  0.00   /
C8O2-5 + OH = C3H6+NC3H7COCH2+H2O      2.50E+12  0.00  0.00  
    REV /  0.00  0.00  0.00   /
C8O2-6 + OH = CH2CH2COCH3+C4H8-1+H2O       2.50E+12  0.00  0.00
    REV /  0.00  0.00  0.00   /
C8O2-6 + OH = C3H6+C2H5COC2H4P+H2O    2.50E+12  0.00  0.00  
    REV /  0.00  0.00  0.00   /
C8O3-4 + OH = C2H5COC2H3+NC3H7+H2O     2.50E+12  0.00  0.00
    REV /  0.00  0.00  0.00   /
C8O3-4 + OH = C2H5CHCO+PC4H9+H2O       2.50E+12  0.00  0.00
    REV /  0.00  0.00  0.00   /
C8O3-5 + OH = C2H5CO+C5H10-1+H2O       2.50E+12  0.00  0.00
    REV /  0.00  0.00  0.00   /
C8O3-5 + OH = C4H8-1+NC3H7CO+H2O       2.50E+12  0.00  0.00 
    REV /  0.00  0.00  0.00   /
C8O3-6 + OH = C2H5COCH2+C4H8-1+H2O     2.50E+12  0.00  0.00
    REV /  0.00  0.00  0.00   /
C8O4-5 + OH = NC3H7COC2H3+C2H5+H2O     2.50E+12  0.00  0.00 
    REV /  0.00  0.00  0.00   /
C8O4-5 + OH = NC3H7CHCO+NC3H7+H2O      2.50E+12  0.00  0.00 
    REV /  0.00  0.00  0.00   /
!
C8O1-2+HO2 = C2H3CHO+C5H11-1+H2O2    5.000E+12  0.00  1.770E+04
    REV /  0.00  0.00  0.00   /
C8O1-2+HO2 = CH2CO+C6H13-1+H2O2      5.000E+12  0.00  1.770E+04
    REV /  0.00  0.00  0.00   /
C8O1-3+HO2 = C7H14-1+HCO+H2O2        5.000E+12  0.00  1.770E+04
    REV /  0.00  0.00  0.00   /
C8O1-3+HO2 = C2H4+NC5H11CO+H2O2       5.000E+12  0.00  1.770E+04
    REV /  0.00  0.00  0.00   /
C8O1-4+HO2 = CH2CHO+C6H12-1+H2O2     5.000E+12  0.00  1.770E+04
    REV /  0.00  0.00  0.00   /
C8O1-4+HO2 = C2H4+NC4H9COCH2+H2O2    5.000E+12  0.00  1.770E+04  
    REV /  0.00  0.00  0.00   /
C8O1-5+HO2 = CH2CH2CHO+C5H10-1+H2O2      5.000E+12  0.00  1.770E+04
    REV /  0.00  0.00  0.00   /
C8O1-5+HO2 = C2H4+NC3H7COC2H4P+H2O2      5.000E+12  0.00  1.770E+04  
    REV /  0.00  0.00  0.00   /
C8O2-3+HO2 = C2H3COCH3+PC4H9+H2O2    5.000E+12  0.00  1.770E+04
    REV /  0.00  0.00  0.00   /
C8O2-3+HO2 = CH3CHCO+C5H11-1+H2O2    5.000E+12  0.00  1.770E+04
    REV /  0.00  0.00  0.00   /
C8O2-4+HO2 = CH3CO+C6H12-1+H2O2      5.000E+12  0.00  1.770E+04
    REV /  0.00  0.00  0.00   /
C8O2-4+HO2 = C3H6+NC4H9CO+H2O2       5.000E+12  0.00  1.770E+04  
    REV /  0.00  0.00  0.00   /
C8O2-5+HO2 = CH3COCH2+C5H10-1+H2O2       5.000E+12  0.00  1.770E+04
    REV /  0.00  0.00  0.00   /
C8O2-5+HO2 = C3H6+NC3H7COCH2+H2O2    5.000E+12  0.00  1.770E+04  
    REV /  0.00  0.00  0.00   /
C8O2-6+HO2 = CH2CH2COCH3+C4H8-1+H2O2     5.000E+12  0.00  1.770E+04
    REV /  0.00  0.00  0.00   /
C8O2-6+HO2 = C3H6+C2H5COC2H4P+H2O2      5.000E+12  0.00  1.770E+04  
    REV /  0.00  0.00  0.00   /
C8O3-4+HO2 = C2H5COC2H3+NC3H7+H2O2       5.000E+12  0.00  1.770E+04
    REV /  0.00  0.00  0.00   /
C8O3-4+HO2 = C2H5CHCO+PC4H9+H2O2     5.000E+12  0.00  1.770E+04
    REV /  0.00  0.00  0.00   /
C8O3-5+HO2 = C2H5CO+C5H10-1+H2O2     5.000E+12  0.00  1.770E+04
    REV /  0.00  0.00  0.00   /
C8O3-5+HO2 = C4H8-1+NC3H7CO+H2O2     5.000E+12  0.00  1.770E+04  
    REV /  0.00  0.00  0.00   /
C8O3-6+HO2 = C2H5COCH2+C4H8-1+H2O2       5.000E+12  0.00  1.770E+04
    REV /  0.00  0.00  0.00   /
C8O4-5+HO2 = NC3H7COC2H3+C2H5+H2O2       5.000E+12  0.00  1.770E+04  
    REV /  0.00  0.00  0.00   /
C8O4-5+HO2 = NC3H7CHCO+NC3H7+H2O2    5.000E+12  0.00  1.770E+04  
    REV /  0.00  0.00  0.00   /
!
!
!
!    CLASS 30 MISCELLANEOUS REACTIONS
!
!   LARGE ALDEHYDES
!     SIMPLIFIED CONSUMPTION MECHANISMS FOR ALDEHYDES LARGER THAN NC5
!
!
!
C5H11COC2H3+H = H2+C5H10-1+C2H3CO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
C5H11COC2H3 + OH = H2O+C5H10-1+C2H3CO    3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
C5H11COC2H3+O = OH+C5H10-1+C2H3CO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
C5H11COC2H3+HO2 = H2O2+C5H10-1+C2H3CO  5.000E+12  0.00  15000.
   REV / 0.00  0.00  0.00 /
C5H11COC2H3+H = H2+NC4H9CHCO+C2H3      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
C5H11COC2H3 + OH = H2O+NC4H9CHCO+C2H3    3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
C5H11COC2H3+O = OH+NC4H9CHCO+C2H3      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
C5H11COC2H3+HO2 = H2O2+NC4H9CHCO+C2H3  5.000E+12  0.00  15000.
   REV / 0.00  0.00  0.00 /
!
C6H13COC2H3+H = H2+C6H12-1+C2H3CO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
C6H13COC2H3 + OH = H2O+C6H12-1+C2H3CO    3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
C6H13COC2H3+O = OH+C6H12-1+C2H3CO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
C6H13COC2H3+HO2 = H2O2+C6H12-1+C2H3CO  5.000E+12  0.00  15000.
   REV / 0.00  0.00  0.00 /
C6H13COC2H3+H = H2+C5H11CHCO+C2H3      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
C6H13COC2H3 + OH = H2O+C5H11CHCO+C2H3    3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
C6H13COC2H3+O = OH+C5H11CHCO+C2H3      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
C6H13COC2H3+HO2 = H2O2+C5H11CHCO+C2H3  5.000E+12  0.00  15000.
   REV / 0.00  0.00  0.00 /
!
C5H11CHCO+H = H2+C5H10-1+HCCO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
C5H11CHCO+O = OH+C5H10-1+HCCO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
C5H11CHCO + OH = H2O+C5H10-1+HCCO    3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
C5H11CHCO+HO2 = H2O2+C5H10-1+HCCO      5.000E+12  0.00  15000.
   REV / 0.00  0.00  0.00 /
C5H11CHCO+H = C6H13-1+CO           3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
C5H11CHCO+O = C6H12-1+CO2          3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
C5H11CHCO + OH = C6H13-1+CO2         3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
!
C6H13CHCO+H = H2+C6H12-1+HCCO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
C6H13CHCO+O = OH+C6H12-1+HCCO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
C6H13CHCO + OH = H2O+C6H12-1+HCCO    3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
C6H13CHCO+HO2 = H2O2+C6H12-1+HCCO      5.000E+12  0.00  15000.
   REV / 0.00  0.00  0.00 /
C6H13CHCO+H = C7H15-1+CO           3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
C6H13CHCO+O = C7H14-1+CO2          3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
C6H13CHCO + OH = C7H15-1+CO2         3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
!
C7H15CHCO+H = H2+C7H14-1+HCCO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
C7H15CHCO+O = OH+C7H14-1+HCCO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
C7H15CHCO + OH = H2O+C7H14-1+HCCO    3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
C7H15CHCO+HO2 = H2O2+C7H14-1+HCCO      5.000E+12  0.00  15000.
   REV / 0.00  0.00  0.00 /
C7H15CHCO+H = C8H17-1+CO           3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
C7H15CHCO+O = C8H16-1+CO2          3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
C7H15CHCO + OH = C8H17-1+CO2         3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
!
!   DECOMPOSITION OF LARGE RADICALS
!
C8H17COCH2  =  C8H17-1+CH2CO       2.000E+13  0.00  31000.
   REV / 2.000E+11  0.00  7350.  /
C7H15COCH2  =  C7H15-1+CH2CO       2.000E+13  0.00  31000.
   REV / 2.000E+11  0.00  7350.  /
C6H13COCH2  =  C6H13-1+CH2CO       2.000E+13  0.00  31000.
   REV / 2.000E+11  0.00  7350.  /
C5H11COCH2  =  C5H11-1+CH2CO       2.000E+13  0.00  31000.
   REV / 2.000E+11  0.00  7350.  /
!
C8COC2H4P  =  NC8H17CO+C2H4        5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  / 
C7COC2H4P  =  NC7H15CO+C2H4        5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  /
C6COC2H4P  =  NC6H13CO+C2H4        5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  /
C5COC2H4P  =  NC5H11CO+C2H4        5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  /
C4COC2H4P  =  NC4H9CO+C2H4         5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  /
!
C8COC3H6P  =  C8H17COCH2+C2H4      5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  /
C7COC3H6P  =  C7H15COCH2+C2H4      5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  /
C6COC3H6P  =  C6H13COCH2+C2H4      5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  /
C5COC3H6P  =  C5H11COCH2+C2H4      5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  /
C4COC3H6P  =  NC4H9COCH2+C2H4      5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  /
C3COC3H6P  =  NC3H7COCH2+C2H4      5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  /
!
!
! 
!
!!!!!!!!!!C8-C20 2-METHYLALKANE MECHANISM WITH LOW TEMPERATURE AND HIGH TEMP CHEMISTRY!!!!!!!!!
!
!
!
!                                       
!                                       
!       2-METHYLHEXANE                              
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!       CLASS 1  UNIMOLECULAR FUEL DECOMPOSITION                                
!                                       
C7H15-2A    +       H       =       C7H16-2         1.000E+14       0.00    0.000
C7H15-2B    +       H       =       C7H16-2         1.000E+14       0.00    0.000
C7H15-2C    +       H       =       C7H16-2         1.000E+14       0.00    0.000
C7H15-2D    +       H       =       C7H16-2         1.000E+14       0.00    0.000
C7H15-2E    +       H       =       C7H16-2         1.000E+14       0.00    0.000
C7H15-2F    +       H       =       C7H16-2         1.000E+14       0.00    0.000
!                                       
CH3     +       C6H13-2 =       C7H16-2         1.000E+13       0.00    0.000
IC3H7   +       PC4H9   =       C7H16-2         8.000E+12       0.00    0.000
IC4H9   +       NC3H7   =       C7H16-2         8.000E+12       0.00    0.000
DC5H11    +       C2H5    =       C7H16-2         8.000E+12       0.00    0.000
EC6H13    +       CH3     =       C7H16-2         1.000E+13       0.00    0.000
!                                       
!                                       
!                                       
!       2-METHYLHEPTANE                             
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!       CLASS 1  UNIMOLECULAR FUEL DECOMPOSITION                                
!                                       
C8H17-2A    +       H       =       C8H18-2         1.000E+14       0.00    0.000
C8H17-2B    +       H       =       C8H18-2         1.000E+14       0.00    0.000
C8H17-2C    +       H       =       C8H18-2         1.000E+14       0.00    0.000
C8H17-2D    +       H       =       C8H18-2         1.000E+14       0.00    0.000
C8H17-2E    +       H       =       C8H18-2         1.000E+14       0.00    0.000
C8H17-2F    +       H       =       C8H18-2         1.000E+14       0.00    0.000
C8H17-2G    +       H       =       C8H18-2         1.000E+14       0.00    0.000
!                                       
CH3     +       C7H15-2 =       C8H18-2         1.000E+13       0.00    0.000
IC3H7   +       C5H11-1 =       C8H18-2         8.000E+12       0.00    0.000
IC4H9   +       PC4H9   =       C8H18-2         8.000E+12       0.00    0.000
DC5H11    +       NC3H7   =       C8H18-2         8.000E+12       0.00    0.000
EC6H13    +       C2H5    =       C8H18-2         8.000E+12       0.00    0.000
C7H15-2F    +       CH3     =       C8H18-2         1.000E+13       0.00    0.000
!                                       
!            
!                                                           
!                              
!                                       
!                                       
!                                       
!                                       
!                                       
!       2-METHYLHEXANE                              
!                                       
!                                       
!                                       
!                                       
!                                       
!       CLASS 2     H ATOM ABSTRACTION FROM FUEL                            
C7H16-2 +       H       =       C7H15-2A    +       H2      1.330E+06       2.54    6.756E+03
C7H16-2 +       H       =       C7H15-2B    +       H2      6.020E+05       2.40    2.583E+03
C7H16-2 +       H       =       C7H15-2C    +       H2      1.300E+06       2.40    4.471E+03
C7H16-2 +       H       =       C7H15-2D    +       H2      1.300E+06       2.40    4.471E+03
C7H16-2 +       H       =       C7H15-2E    +       H2      1.300E+06       2.40    4.471E+03
C7H16-2 +       H       =       C7H15-2F    +       H2      6.660E+05       2.54    6.756E+03
!                                       
!                                       
C7H16-2 +       O       =       C7H15-2A    +       OH      1.960E+06       2.43    4.750E+03
C7H16-2 +       O       =       C7H15-2B    +       OH      3.830E+05       2.41    1.140E+03
C7H16-2 +       O       =       C7H15-2C    +       OH      5.520E+05       2.45    2.830E+03
C7H16-2 +       O       =       C7H15-2D    +       OH      5.520E+05       2.45    2.830E+03
C7H16-2 +       O       =       C7H15-2E    +       OH      5.520E+05       2.45    2.830E+03
C7H16-2 +       O       =       C7H15-2F    +       OH      9.810E+05       2.43    4.750E+03
!                                       
!                                       
C7H16-2 +       OH      =       C7H15-2A    +       H2O     1.056E+10       0.97    1.590E+03
C7H16-2 +       OH      =       C7H15-2B    +       H2O     5.730E+10       0.51     6.300E+01
C7H16-2 +       OH      =       C7H15-2C    +       H2O     4.680E+07       1.61    -3.500E+01
C7H16-2 +       OH      =       C7H15-2D    +       H2O     4.680E+07       1.61    -3.500E+01
C7H16-2 +       OH      =       C7H15-2E    +       H2O     4.680E+07       1.61    -3.500E+01
C7H16-2 +       OH      =       C7H15-2F    +       H2O     5.280E+09       0.97    1.590E+03
!                                       
!                                       
C7H16-2 +       CH3     =       C7H15-2A    +       CH4     9.040E-01       3.65    7.154E+03
C7H16-2 +       CH3     =       C7H15-2B    +       CH4     6.010E-10       6.36    8.930E+02
C7H16-2 +       CH3     =       C7H15-2C    +       CH4     1.510E+00       3.46    5.481E+03
C7H16-2 +       CH3     =       C7H15-2D    +       CH4     1.510E+00       3.46    5.481E+03
C7H16-2 +       CH3     =       C7H15-2E    +       CH4     1.510E+00       3.46    5.481E+03
C7H16-2 +       CH3     =       C7H15-2F    +       CH4     4.520E-01       3.65    7.154E+03
!                                       
!                                       
C7H16-2 +       HO2     =       C7H15-2A    +       H2O2    4.080E+01       3.59    1.716E+04
C7H16-2 +       HO2     =       C7H15-2B    +       H2O2    6.500E+02       3.01    1.209E+04
C7H16-2 +       HO2     =       C7H15-2C    +       H2O2    6.320E+01       3.37    1.372E+04
C7H16-2 +       HO2     =       C7H15-2D    +       H2O2    6.320E+01       3.37    1.372E+04
C7H16-2 +       HO2     =       C7H15-2E    +       H2O2    6.320E+01       3.37    1.372E+04
C7H16-2 +       HO2     =       C7H15-2F    +       H2O2    2.040E+01       3.59    1.716E+04
!                                       
!                                       
C7H16-2 +       CH3O    =       C7H15-2A    +       CH3OH   4.338E+11       0.00    6.548E+03
C7H16-2 +       CH3O    =       C7H15-2B    +       CH3OH   2.290E+10       0.00    2.873E+03
C7H16-2 +       CH3O    =       C7H15-2C    +       CH3OH   1.450E+11       0.00    4.571E+03
C7H16-2 +       CH3O    =       C7H15-2D    +       CH3OH   1.450E+11       0.00    4.571E+03
C7H16-2 +       CH3O    =       C7H15-2E    +       CH3OH   1.450E+11       0.00    4.571E+03
C7H16-2 +       CH3O    =       C7H15-2F    +       CH3OH   2.169E+11       0.00    6.548E+03
!                                       
!                                       
C7H16-2 +       O2      =       C7H15-2A    +       HO2      6.000E+13       0.00    5.229E+04
C7H16-2 +       O2      =       C7H15-2B    +       HO2      1.000E+13       0.00    4.820E+04
C7H16-2 +       O2      =       C7H15-2C    +       HO2      2.000E+13       0.00    4.964E+04
C7H16-2 +       O2      =       C7H15-2D    +       HO2      2.000E+13       0.00    4.964E+04
C7H16-2 +       O2      =       C7H15-2E    +       HO2      2.000E+13       0.00    4.964E+04
C7H16-2 +       O2      =       C7H15-2F    +       HO2      3.000E+13       0.00    5.280E+04
!                                       
!                                       
C7H16-2 +       C2H5    =       C7H15-2A    +       C2H6    1.000E+11       0.00    1.340E+04
C7H16-2 +       C2H5    =       C7H15-2B    +       C2H6    1.000E+11       0.00    7.900E+03
C7H16-2 +       C2H5    =       C7H15-2C    +       C2H6    5.000E+10       0.00    1.040E+04
C7H16-2 +       C2H5    =       C7H15-2D    +       C2H6    5.000E+10       0.00    1.040E+04
C7H16-2 +       C2H5    =       C7H15-2E    +       C2H6    5.000E+10       0.00    1.040E+04
C7H16-2 +       C2H5    =       C7H15-2F    +       C2H6    5.000E+10       0.00    1.340E+04
!                                       
!                                       
C7H16-2 +       C2H3    =       C7H15-2A    +       C2H4    1.000E+12       0.00    1.800E+04
C7H16-2 +       C2H3    =       C7H15-2B    +       C2H4    2.000E+11       0.00    1.430E+04
C7H16-2 +       C2H3    =       C7H15-2C    +       C2H4    4.000E+11       0.00    1.680E+04
C7H16-2 +       C2H3    =       C7H15-2D    +       C2H4    4.000E+11       0.00    1.680E+04
C7H16-2 +       C2H3    =       C7H15-2E    +       C2H4    4.000E+11       0.00    1.680E+04
C7H16-2 +       C2H3    =       C7H15-2F    +       C2H4    5.000E+11       0.00    1.800E+04
!                                       
!                                       
C7H16-2 +       CH3O2   =       C7H15-2A    +       CH3O2H  1.386E+00       3.97    1.828E+04
C7H16-2 +       CH3O2   =       C7H15-2B    +       CH3O2H  2.060E+02       3.12    1.319E+04
C7H16-2 +       CH3O2   =       C7H15-2C    +       CH3O2H  1.0185E+01       3.58    1.481E+04
C7H16-2 +       CH3O2   =       C7H15-2D    +       CH3O2H  1.0185E+01       3.58    1.481E+04
C7H16-2 +       CH3O2   =       C7H15-2E    +       CH3O2H  1.0185E+01       3.58    1.481E+04
C7H16-2 +       CH3O2   =       C7H15-2F    +       CH3O2H  6.930E-01       3.97    1.828E+04
!                                       
!                                       
C7H16-2 +       C7H15-2A    =       C7H15-2B    +       C7H16-2 2.500E+10       0.00    7.900E+03                       
 REV     /       1.500E+11       0.00    1.230E+04       /                   
C7H16-2 +       C7H15-2A    =       C7H15-2C    +       C7H16-2 5.000E+10       0.00    1.040E+04                       
 REV     /       1.500E+11       0.00    1.230E+04       /                   
C7H16-2 +       C7H15-2A    =       C7H15-2D    +       C7H16-2 5.000E+10       0.00    1.040E+04                       
 REV     /       1.500E+11       0.00    1.230E+04       /                   
C7H16-2 +       C7H15-2A    =       C7H15-2E    +       C7H16-2 5.000E+10       0.00    1.040E+04                       
 REV     /       1.500E+11       0.00    1.230E+04       /                   
C7H16-2 +       C7H15-2A    =       C7H15-2F    +       C7H16-2 7.500E+10       0.00    1.230E+04                       
 REV     /       1.500E+11       0.00    1.230E+04       /                   
!                                                           
!                                                           
C7H16-2 +       C7H15-2B    =       C7H15-2C    +       C7H16-2 5.000E+10       0.00    1.040E+04                       
 REV     /       2.500E+10       0.00    7.900E+03       /                   
C7H16-2 +       C7H15-2B    =       C7H15-2D    +       C7H16-2 5.000E+10       0.00    1.040E+04                       
 REV     /       2.500E+10       0.00    7.900E+03       /                   
C7H16-2 +       C7H15-2B    =       C7H15-2E    +       C7H16-2 5.000E+10       0.00    1.040E+04       
 REV     /       2.500E+10       0.00    7.900E+03       /
C7H16-2 +       C7H15-2B    =       C7H15-2F    +       C7H16-2 7.500E+10       0.00    1.230E+04       
 REV     /       2.500E+10       0.00    7.900E+03       /
!                                           
!                                           
C7H16-2 +       C7H15-2C    =       C7H15-2D    +       C7H16-2 5.000E+10       0.00    1.040E+04       
 REV     /       5.000E+10       0.00    1.040E+04       /
C7H16-2 +       C7H15-2C    =       C7H15-2E    +       C7H16-2 5.000E+10       0.00    1.040E+04       
 REV     /       5.000E+10       0.00    1.040E+04       /
C7H16-2 +       C7H15-2C    =       C7H15-2F    +       C7H16-2 7.500E+10       0.00    1.230E+04       
 REV     /       5.000E+10       0.00    1.040E+04       /
!                                           
!                                           
C7H16-2 +       C7H15-2D    =       C7H15-2E    +       C7H16-2 5.000E+10       0.00    1.040E+04       
 REV     /       5.000E+10       0.00    1.040E+04       /
C7H16-2 +       C7H15-2D    =       C7H15-2F    +       C7H16-2 7.500E+10       0.00    1.230E+04       
 REV     /       5.000E+10       0.00    1.040E+04       /
!                                           
!                                           
C7H16-2 +       C7H15-2E    =       C7H15-2F    +       C7H16-2 7.500E+10       0.00    1.230E+04       
 REV     /       5.000E+10       0.00    1.040E+04       /
!                                           
!                                           
C7H16-2 +       C7H15OO-1-2     =       C7H15-2A    +       C7H15OOH-1-2    1.200E+13       0.00    2.043E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C7H16-2 +       C7H15OO-2-2     =       C7H15-2A    +       C7H15OOH-2-2    1.200E+13       0.00    2.043E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C7H16-2 +       C7H15OO-3-2     =       C7H15-2A    +       C7H15OOH-3-2    1.200E+13       0.00    2.043E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C7H16-2 +       C7H15OO-4-2     =       C7H15-2A    +       C7H15OOH-4-2    1.200E+13       0.00    2.043E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C7H16-2 +       C7H15OO-5-2     =       C7H15-2A    +       C7H15OOH-5-2    1.200E+13       0.00    2.043E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C7H16-2 +       C7H15OO-6-2     =       C7H15-2A    +       C7H15OOH-6-2    1.200E+13       0.00    2.043E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
!                                           
!                                           
C7H16-2 +       C7H15OO-1-2     =       C7H15-2B    +       C7H15OOH-1-2    2.000E+12       0.00    1.600E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C7H16-2 +       C7H15OO-2-2     =       C7H15-2B    +       C7H15OOH-2-2    2.000E+12       0.00    1.600E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C7H16-2 +       C7H15OO-3-2     =       C7H15-2B    +       C7H15OOH-3-2    2.000E+12       0.00    1.600E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C7H16-2 +       C7H15OO-4-2     =       C7H15-2B    +       C7H15OOH-4-2    2.000E+12       0.00    1.600E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C7H16-2 +       C7H15OO-5-2     =       C7H15-2B    +       C7H15OOH-5-2    2.000E+12       0.00    1.600E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C7H16-2 +       C7H15OO-6-2     =       C7H15-2B    +       C7H15OOH-6-2    2.000E+12       0.00    1.600E+04               
 REV     /       1.440E+10       0.00    1.500E+04       /           
!                                                   
!                                                   
C7H16-2 +       C7H15OO-1-2     =       C7H15-2C    +       C7H15OOH-1-2    4.000E+12       0.00    1.770E+04               
 REV     /       1.440E+10       0.00    1.500E+04       /           
C7H16-2 +       C7H15OO-2-2     =       C7H15-2C    +       C7H15OOH-2-2    4.000E+12       0.00    1.770E+04               
 REV     /       1.440E+10       0.00    1.500E+04       /           
C7H16-2 +       C7H15OO-3-2     =       C7H15-2C    +       C7H15OOH-3-2    4.000E+12       0.00    1.770E+04               
 REV     /       1.440E+10       0.00    1.500E+04       /           
C7H16-2 +       C7H15OO-4-2     =       C7H15-2C    +       C7H15OOH-4-2    4.000E+12       0.00    1.770E+04               
 REV     /       1.440E+10       0.00    1.500E+04       /           
C7H16-2 +       C7H15OO-5-2     =       C7H15-2C    +       C7H15OOH-5-2    4.000E+12       0.00    1.770E+04               
 REV     /       1.440E+10       0.00    1.500E+04       /           
C7H16-2 +       C7H15OO-6-2     =       C7H15-2C    +       C7H15OOH-6-2    4.000E+12       0.00    1.770E+04               
 REV     /       1.440E+10       0.00    1.500E+04       /           
!                                           
!                                           
C7H16-2 +       C7H15OO-1-2     =       C7H15-2D    +       C7H15OOH-1-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C7H16-2 +       C7H15OO-2-2     =       C7H15-2D    +       C7H15OOH-2-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C7H16-2 +       C7H15OO-3-2     =       C7H15-2D    +       C7H15OOH-3-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C7H16-2 +       C7H15OO-4-2     =       C7H15-2D    +       C7H15OOH-4-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C7H16-2 +       C7H15OO-5-2     =       C7H15-2D    +       C7H15OOH-5-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C7H16-2 +       C7H15OO-6-2     =       C7H15-2D    +       C7H15OOH-6-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
!                                           
!                                           
C7H16-2 +       C7H15OO-1-2     =       C7H15-2E    +       C7H15OOH-1-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C7H16-2 +       C7H15OO-2-2     =       C7H15-2E    +       C7H15OOH-2-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C7H16-2 +       C7H15OO-3-2     =       C7H15-2E    +       C7H15OOH-3-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C7H16-2 +       C7H15OO-4-2     =       C7H15-2E    +       C7H15OOH-4-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C7H16-2 +       C7H15OO-5-2     =       C7H15-2E    +       C7H15OOH-5-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C7H16-2 +       C7H15OO-6-2     =       C7H15-2E    +       C7H15OOH-6-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
!                                           
!                                           
C7H16-2 +       C7H15OO-1-2     =       C7H15-2F    +       C7H15OOH-1-2    6.000E+12       0.00    2.043E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C7H16-2 +       C7H15OO-2-2     =       C7H15-2F    +       C7H15OOH-2-2    6.000E+12       0.00    2.043E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C7H16-2 +       C7H15OO-3-2     =       C7H15-2F    +       C7H15OOH-3-2    6.000E+12       0.00    2.043E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C7H16-2 +       C7H15OO-4-2     =       C7H15-2F    +       C7H15OOH-4-2    6.000E+12       0.00    2.043E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C7H16-2 +       C7H15OO-5-2     =       C7H15-2F    +       C7H15OOH-5-2    6.000E+12       0.00    2.043E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C7H16-2 +       C7H15OO-6-2     =       C7H15-2F    +       C7H15OOH-6-2    6.000E+12       0.00    2.043E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
!                                           
!                                           
!                                           
!                                           
!                                           
!                                           
!                                       
!                                       
!                                       
!       2-METHYLHEPTANE                             
!                                       
!                                       
!                                       
!                                       
!                                       
!       CLASS 2     H ATOM ABSTRACTION FROM FUEL                            
C8H18-2 +       H       =       C8H17-2A    +       H2      1.330E+06       2.54    6.756E+03
C8H18-2 +       H       =       C8H17-2B    +       H2      6.020E+05       2.40    2.583E+03
C8H18-2 +       H       =       C8H17-2C    +       H2      1.300E+06       2.40    4.471E+03
C8H18-2 +       H       =       C8H17-2D    +       H2      1.300E+06       2.40    4.471E+03
C8H18-2 +       H       =       C8H17-2E    +       H2      1.300E+06       2.40    4.471E+03
C8H18-2 +       H       =       C8H17-2F    +       H2      1.300E+06       2.40    4.471E+03
C8H18-2 +       H       =       C8H17-2G    +       H2      6.660E+05       2.54    6.756E+03
!                                       
!                                       
C8H18-2 +       O       =       C8H17-2A    +       OH      1.960E+06       2.43    4.750E+03
C8H18-2 +       O       =       C8H17-2B    +       OH      3.830E+05       2.41    1.140E+03
C8H18-2 +       O       =       C8H17-2C    +       OH      5.520E+05       2.45    2.830E+03
C8H18-2 +       O       =       C8H17-2D    +       OH      5.520E+05       2.45    2.830E+03
C8H18-2 +       O       =       C8H17-2E    +       OH      5.520E+05       2.45    2.830E+03
C8H18-2 +       O       =       C8H17-2F    +       OH      5.520E+05       2.45    2.830E+03
C8H18-2 +       O       =       C8H17-2G    +       OH      9.810E+05       2.43    4.750E+03
!                                       
!                                       
C8H18-2 +       OH      =       C8H17-2A    +       H2O     1.056E+10       0.97    1.590E+03
C8H18-2 +       OH      =       C8H17-2B    +       H2O     5.730E+10       0.51     6.300E+01
C8H18-2 +       OH      =       C8H17-2C    +       H2O     4.680E+07       1.61    -3.500E+01
C8H18-2 +       OH      =       C8H17-2D    +       H2O     4.680E+07       1.61    -3.500E+01
C8H18-2 +       OH      =       C8H17-2E    +       H2O     4.680E+07       1.61    -3.500E+01
C8H18-2 +       OH      =       C8H17-2F    +       H2O     4.680E+07       1.61    -3.500E+01
C8H18-2 +       OH      =       C8H17-2G    +       H2O     5.280E+09       0.97    1.590E+03
!                                       
!                                       
C8H18-2 +       CH3     =       C8H17-2A    +       CH4     9.040E-01       3.65    7.154E+03
C8H18-2 +       CH3     =       C8H17-2B    +       CH4     6.010E-10       6.36    8.930E+02
C8H18-2 +       CH3     =       C8H17-2C    +       CH4     1.510E+00       3.46    5.481E+03
C8H18-2 +       CH3     =       C8H17-2D    +       CH4     1.510E+00       3.46    5.481E+03
C8H18-2 +       CH3     =       C8H17-2E    +       CH4     1.510E+00       3.46    5.481E+03
C8H18-2 +       CH3     =       C8H17-2F    +       CH4     1.510E+00       3.46    5.481E+03
C8H18-2 +       CH3     =       C8H17-2G    +       CH4     4.520E-01       3.65    7.154E+03
!                                       
!                                       
C8H18-2 +       HO2     =       C8H17-2A    +       H2O2    4.080E+01       3.59    1.716E+04
C8H18-2 +       HO2     =       C8H17-2B    +       H2O2    6.500E+02       3.01    1.209E+04
C8H18-2 +       HO2     =       C8H17-2C    +       H2O2    6.320E+01       3.37    1.372E+04
C8H18-2 +       HO2     =       C8H17-2D    +       H2O2    6.320E+01       3.37    1.372E+04
C8H18-2 +       HO2     =       C8H17-2E    +       H2O2    6.320E+01       3.37    1.372E+04
C8H18-2 +       HO2     =       C8H17-2F    +       H2O2    6.320E+01       3.37    1.372E+04
C8H18-2 +       HO2     =       C8H17-2G    +       H2O2    2.040E+01       3.59    1.716E+04
!                                       
!                                       
C8H18-2 +       CH3O    =       C8H17-2A    +       CH3OH   4.338E+11       0.00    6.548E+03
C8H18-2 +       CH3O    =       C8H17-2B    +       CH3OH   2.290E+10       0.00    2.873E+03
C8H18-2 +       CH3O    =       C8H17-2C    +       CH3OH   1.450E+11       0.00    4.571E+03
C8H18-2 +       CH3O    =       C8H17-2D    +       CH3OH   1.450E+11       0.00    4.571E+03
C8H18-2 +       CH3O    =       C8H17-2E    +       CH3OH   1.450E+11       0.00    4.571E+03
C8H18-2 +       CH3O    =       C8H17-2F    +       CH3OH   1.450E+11       0.00    4.571E+03
C8H18-2 +       CH3O    =       C8H17-2G    +       CH3OH   2.169E+11       0.00    6.548E+03
!                                       
!                                       
C8H18-2 +       O2      =       C8H17-2A    +       HO2      6.000E+13       0.00    5.229E+04
C8H18-2 +       O2      =       C8H17-2B    +       HO2      1.000E+13       0.00    4.820E+04
C8H18-2 +       O2      =       C8H17-2C    +       HO2      2.000E+13       0.00    4.964E+04
C8H18-2 +       O2      =       C8H17-2D    +       HO2      2.000E+13       0.00    4.964E+04
C8H18-2 +       O2      =       C8H17-2E    +       HO2      2.000E+13       0.00    4.964E+04
C8H18-2 +       O2      =       C8H17-2F    +       HO2      2.000E+13       0.00    4.964E+04
C8H18-2 +       O2      =       C8H17-2G    +       HO2      3.000E+13       0.00    5.280E+04
!                                       
!                                       
C8H18-2 +       C2H5    =       C8H17-2A    +       C2H6    1.000E+11       0.00    1.340E+04
C8H18-2 +       C2H5    =       C8H17-2B    +       C2H6    1.000E+11       0.00    7.900E+03
C8H18-2 +       C2H5    =       C8H17-2C    +       C2H6    5.000E+10       0.00    1.040E+04
C8H18-2 +       C2H5    =       C8H17-2D    +       C2H6    5.000E+10       0.00    1.040E+04
C8H18-2 +       C2H5    =       C8H17-2E    +       C2H6    5.000E+10       0.00    1.040E+04
C8H18-2 +       C2H5    =       C8H17-2F    +       C2H6    5.000E+10       0.00    1.040E+04
C8H18-2 +       C2H5    =       C8H17-2G    +       C2H6    5.000E+10       0.00    1.340E+04
!                                       
!                                       
C8H18-2 +       C2H3    =       C8H17-2A    +       C2H4    1.000E+12       0.00    1.800E+04
C8H18-2 +       C2H3    =       C8H17-2B    +       C2H4    2.000E+11       0.00    1.430E+04
C8H18-2 +       C2H3    =       C8H17-2C    +       C2H4    4.000E+11       0.00    1.680E+04
C8H18-2 +       C2H3    =       C8H17-2D    +       C2H4    4.000E+11       0.00    1.680E+04
C8H18-2 +       C2H3    =       C8H17-2E    +       C2H4    4.000E+11       0.00    1.680E+04
C8H18-2 +       C2H3    =       C8H17-2F    +       C2H4    4.000E+11       0.00    1.680E+04
C8H18-2 +       C2H3    =       C8H17-2G    +       C2H4    5.000E+11       0.00    1.800E+04
!                                       
!                                       
C8H18-2 +       CH3O2   =       C8H17-2A    +       CH3O2H  1.386E+00       3.97    1.828E+04
C8H18-2 +       CH3O2   =       C8H17-2B    +       CH3O2H  2.060E+02       3.12    1.319E+04
C8H18-2 +       CH3O2   =       C8H17-2C    +       CH3O2H  1.0185E+01       3.58    1.481E+04
C8H18-2 +       CH3O2   =       C8H17-2D    +       CH3O2H  1.0185E+01       3.58    1.481E+04
C8H18-2 +       CH3O2   =       C8H17-2E    +       CH3O2H  1.0185E+01       3.58    1.481E+04
C8H18-2 +       CH3O2   =       C8H17-2F    +       CH3O2H  1.0185E+01       3.58    1.481E+04                       
C8H18-2 +       CH3O2   =       C8H17-2G    +       CH3O2H  6.930E-01       3.97    1.828E+04                       
!                                                           
!                                                           
C8H18-2 +       C8H17-2A    =       C8H17-2B    +       C8H18-2 2.500E+10       0.00    7.900E+03                       
 REV     /       1.500E+11       0.00    1.230E+04       /                   
C8H18-2 +       C8H17-2A    =       C8H17-2C    +       C8H18-2 5.000E+10       0.00    1.040E+04                       
 REV     /       1.500E+11       0.00    1.230E+04       /                   
C8H18-2 +       C8H17-2A    =       C8H17-2D    +       C8H18-2 5.000E+10       0.00    1.040E+04                       
 REV     /       1.500E+11       0.00    1.230E+04       /                   
C8H18-2 +       C8H17-2A    =       C8H17-2E    +       C8H18-2 5.000E+10       0.00    1.040E+04                       
 REV     /       1.500E+11       0.00    1.230E+04       /                   
C8H18-2 +       C8H17-2A    =       C8H17-2F    +       C8H18-2 5.000E+10       0.00    1.230E+04                       
 REV     /       1.500E+11       0.00    1.040E+04       /                   
C8H18-2 +       C8H17-2A    =       C8H17-2G    +       C8H18-2 7.500E+10       0.00    1.230E+04                       
 REV     /       1.500E+11       0.00    1.230E+04       /                   
!                                           
!                                           
C8H18-2 +       C8H17-2B    =       C8H17-2C    +       C8H18-2 5.000E+10       0.00    1.040E+04       
 REV     /       2.500E+10       0.00    7.900E+03       /
C8H18-2 +       C8H17-2B    =       C8H17-2D    +       C8H18-2 5.000E+10       0.00    1.040E+04       
 REV     /       2.500E+10       0.00    7.900E+03       /
C8H18-2 +       C8H17-2B    =       C8H17-2E    +       C8H18-2 5.000E+10       0.00    1.040E+04       
 REV     /       2.500E+10       0.00    7.900E+03       /
C8H18-2 +       C8H17-2B    =       C8H17-2F    +       C8H18-2 5.000E+10       0.00    1.040E+04       
 REV     /       2.500E+10       0.00    7.900E+03       /
C8H18-2 +       C8H17-2B    =       C8H17-2G    +       C8H18-2 7.500E+10       0.00    1.230E+04       
 REV     /       2.500E+10       0.00    7.900E+03       /
!                                           
!                                           
C8H18-2 +       C8H17-2C    =       C8H17-2D    +       C8H18-2 5.000E+10       0.00    1.040E+04       
 REV     /       5.000E+10       0.00    1.040E+04       /
C8H18-2 +       C8H17-2C    =       C8H17-2E    +       C8H18-2 5.000E+10       0.00    1.040E+04       
 REV     /       5.000E+10       0.00    1.040E+04       /
C8H18-2 +       C8H17-2C    =       C8H17-2F    +       C8H18-2 5.000E+10       0.00    1.040E+04       
 REV     /       5.000E+10       0.00    1.040E+04       /
C8H18-2 +       C8H17-2C    =       C8H17-2G    +       C8H18-2 7.500E+10       0.00    1.230E+04       
 REV     /       5.000E+10       0.00    1.040E+04       /
!                                           
!                                           
C8H18-2 +       C8H17-2D    =       C8H17-2E    +       C8H18-2 5.000E+10       0.00    1.040E+04       
 REV     /       5.000E+10       0.00    1.040E+04       /
C8H18-2 +       C8H17-2D    =       C8H17-2F    +       C8H18-2 5.000E+10       0.00    1.040E+04       
 REV     /       5.000E+10       0.00    1.040E+04       /
C8H18-2 +       C8H17-2D    =       C8H17-2G    +       C8H18-2 7.500E+10       0.00    1.230E+04       
 REV     /       5.000E+10       0.00    1.040E+04       /
!                                           
!                                           
C8H18-2 +       C8H17-2E    =       C8H17-2F    +       C8H18-2 5.000E+10       0.00    1.040E+04       
 REV     /       5.000E+10       0.00    1.040E+04       /
C8H18-2 +       C8H17-2E    =       C8H17-2G    +       C8H18-2 7.500E+10       0.00    1.230E+04       
 REV     /       5.000E+10       0.00    1.040E+04       /
!                                           
C8H18-2 +       C8H17-2F    =       C8H17-2G    +       C8H18-2 7.500E+10       0.00    1.230E+04       
 REV     /       5.000E+10       0.00    1.040E+04       /
!                                           
!                                           
C8H18-2 +       C8H17OO-1-2     =       C8H17-2A    +       C8H17OOH-1-2    1.200E+13       0.00    2.043E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-2-2     =       C8H17-2A    +       C8H17OOH-2-2    1.200E+13       0.00    2.043E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-3-2     =       C8H17-2A    +       C8H17OOH-3-2    1.200E+13       0.00    2.043E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-4-2     =       C8H17-2A    +       C8H17OOH-4-2    1.200E+13       0.00    2.043E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-5-2     =       C8H17-2A    +       C8H17OOH-5-2    1.200E+13       0.00    2.043E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-6-2     =       C8H17-2A    +       C8H17OOH-6-2    1.200E+13       0.00    2.043E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-7-2     =       C8H17-2A    +       C8H17OOH-7-2    1.200E+13       0.00    2.043E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
!                                           
!                                           
C8H18-2 +       C8H17OO-1-2     =       C8H17-2B    +       C8H17OOH-1-2    2.000E+12       0.00    1.600E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-2-2     =       C8H17-2B    +       C8H17OOH-2-2    2.000E+12       0.00    1.600E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-3-2     =       C8H17-2B    +       C8H17OOH-3-2    2.000E+12       0.00    1.600E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-4-2     =       C8H17-2B    +       C8H17OOH-4-2    2.000E+12       0.00    1.600E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /           
C8H18-2 +       C8H17OO-5-2     =       C8H17-2B    +       C8H17OOH-5-2    2.000E+12       0.00    1.600E+04               
 REV     /       1.440E+10       0.00    1.500E+04       /           
C8H18-2 +       C8H17OO-6-2     =       C8H17-2B    +       C8H17OOH-6-2    2.000E+12       0.00    1.600E+04               
 REV     /       1.440E+10       0.00    1.500E+04       /           
C8H18-2 +       C8H17OO-7-2     =       C8H17-2B    +       C8H17OOH-7-2    2.000E+12       0.00    1.600E+04               
 REV     /       1.440E+10       0.00    1.500E+04       /           
!                                                   
!                                                   
C8H18-2 +       C8H17OO-1-2     =       C8H17-2C    +       C8H17OOH-1-2    4.000E+12       0.00    1.770E+04               
 REV     /       1.440E+10       0.00    1.500E+04       /           
C8H18-2 +       C8H17OO-2-2     =       C8H17-2C    +       C8H17OOH-2-2    4.000E+12       0.00    1.770E+04               
 REV     /       1.440E+10       0.00    1.500E+04       /           
C8H18-2 +       C8H17OO-3-2     =       C8H17-2C    +       C8H17OOH-3-2    4.000E+12       0.00    1.770E+04               
 REV     /       1.440E+10       0.00    1.500E+04       /           
C8H18-2 +       C8H17OO-4-2     =       C8H17-2C    +       C8H17OOH-4-2    4.000E+12       0.00    1.770E+04               
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-5-2     =       C8H17-2C    +       C8H17OOH-5-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-6-2     =       C8H17-2C    +       C8H17OOH-6-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-7-2     =       C8H17-2C    +       C8H17OOH-7-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
!                                           
!                                           
C8H18-2 +       C8H17OO-1-2     =       C8H17-2D    +       C8H17OOH-1-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-2-2     =       C8H17-2D    +       C8H17OOH-2-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-3-2     =       C8H17-2D    +       C8H17OOH-3-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-4-2     =       C8H17-2D    +       C8H17OOH-4-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-5-2     =       C8H17-2D    +       C8H17OOH-5-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-6-2     =       C8H17-2D    +       C8H17OOH-6-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-7-2     =       C8H17-2D    +       C8H17OOH-7-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
!                                           
!                                           
C8H18-2 +       C8H17OO-1-2     =       C8H17-2E    +       C8H17OOH-1-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-2-2     =       C8H17-2E    +       C8H17OOH-2-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-3-2     =       C8H17-2E    +       C8H17OOH-3-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-4-2     =       C8H17-2E    +       C8H17OOH-4-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-5-2     =       C8H17-2E    +       C8H17OOH-5-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-6-2     =       C8H17-2E    +       C8H17OOH-6-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-7-2     =       C8H17-2E    +       C8H17OOH-7-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
!                                           
!                                           
C8H18-2 +       C8H17OO-1-2     =       C8H17-2F    +       C8H17OOH-1-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-2-2     =       C8H17-2F    +       C8H17OOH-2-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-3-2     =       C8H17-2F    +       C8H17OOH-3-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-4-2     =       C8H17-2F    +       C8H17OOH-4-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-5-2     =       C8H17-2F    +       C8H17OOH-5-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-6-2     =       C8H17-2F    +       C8H17OOH-6-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-7-2     =       C8H17-2F    +       C8H17OOH-7-2    4.000E+12       0.00    1.770E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
!                                           
!                                           
C8H18-2 +       C8H17OO-1-2     =       C8H17-2G    +       C8H17OOH-1-2    6.000E+12       0.00    2.043E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-2-2     =       C8H17-2G    +       C8H17OOH-2-2    6.000E+12       0.00    2.043E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-3-2     =       C8H17-2G    +       C8H17OOH-3-2    6.000E+12       0.00    2.043E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-4-2     =       C8H17-2G    +       C8H17OOH-4-2    6.000E+12       0.00    2.043E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-5-2     =       C8H17-2G    +       C8H17OOH-5-2    6.000E+12       0.00    2.043E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-6-2     =       C8H17-2G    +       C8H17OOH-6-2    6.000E+12       0.00    2.043E+04       
 REV     /       1.440E+10       0.00    1.500E+04       /
C8H18-2 +       C8H17OO-7-2     =       C8H17-2G    +       C8H17OOH-7-2    6.000E+12       0.00    2.043E+04       
!                                           
!                                           
!                                           
!                                           
!                                           
!                                           
!                       
!                   
!                   
!                   
!                   
!                   
!                   
!                   
!                   
!       2-METHYLHEXANE          
!                   
!                   
!                   
!                   
!                   
!                   
!       CLASS 3     ALKYL RADICAL DECOMPOSITION         
!                                       
!                                       
C7H15-2A = PC4H9   +       C3H6                         3.68E+15     -0.56     31359
C7H15-2A = CH3     +       C6H12-1                      9.55E+14     -0.59     30592
H       +       C7H14-1-2       =       C7H15-2A            2.500E+11 0.51 2620.0
!                                  
C7H15-2B = NC3H7   +       IC4H8                        1.71E+12     0.31     26610
H       +       C7H14-1-2       =       C7H15-2B            4.240E+11 0.51 1230.0
H       +       C7H14-2-2       =       C7H15-2B            2.500E+11 0.51 2620.0
!                                       
C7H15-2C = C2H5    +       CC5H10                       3.08E+13     0.03     28992
C7H15-2C  = CH3     +       C6H12-2                     1.77E+13     0.11     30542
H       +       C7H14-2-2       =       C7H15-2C            2.500E+11 0.51 2620.0
H       +       C7H14-3-2       =       C7H15-2C            2.500E+11 0.51 2620.0
!                                       
C7H15-2D = IC3H7   +       C4H8-1                       6.98E+12     0.16     24963
C7H15-2D = CH3     +       DC6H12                       9.55E+14     -0.59     30592
H       +       C7H14-3-2       =       C7H15-2D            2.500E+11 0.51 2620.0
H       +       C7H14-4-2       =       C7H15-2D            2.500E+11 0.51 2620.0
!                                       
C7H15-2E = IC4H9   +       C3H6                         1.06E+13     0.07     27125
H       +       C7H14-4-2       =       C7H15-2E            2.500E+11 0.51 2620.0
H       +       C7H14-5-2       =       C7H15-2E            2.500E+11 0.51 2620.0
!                                       
C7H15-2F = DC5H11    +       C2H4                       2.64E+15     -0.55     31136
H       +       C7H14-5-2       =       C7H15-2F            2.500E+11 0.51 2620.0
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!                   
!                   
!                   
!                   
!                   
!                   
!                   
!       2-METHYLHEPTANE         
!                   
!                   
!                   
!                   
!                   
!                   
!       CLASS 3     ALKYL RADICAL DECOMPOSITION         
!                   
!                                       
C8H17-2A = C5H11-1 +       C3H6                    3.68E+15     -0.56     31359
C8H17-2A = CH3     +       C7H14-1                  9.55E+14     -0.59     30592
H       +       C8H16-1-2       =       C8H17-2A            2.500E+11 0.51 2620.0
!                                       
C8H17-2B = PC4H9   +       IC4H8                   1.71E+12     0.31     26610
H       +       C8H16-1-2       =       C8H17-2B            4.240E+11 0.51 1230.0
H       +       C8H16-2-2       =       C8H17-2B            2.500E+11 0.51 2620.0
!                                       
C8H17-2C = NC3H7   +       CC5H10                   3.08E+13     0.03     28992
C8H17-2C = CH3     +       C7H14-2                  1.77E+13     0.11     30542
H       +       C8H16-2-2       =       C8H17-2C            2.500E+11 0.51 2620.0
H       +       C8H16-3-2       =       C8H17-2C            2.500E+11 0.51 2620.0
!                                       
C8H17-2D  = IC3H7   +       C5H10-1                  6.98E+12     0.16     24963
C8H17-2D  = C2H5    +       DC6H12                   3.08E+13     0.03     28992
H       +       C8H16-3-2       =       C8H17-2D            2.500E+11 0.51 2620.0
H       +       C8H16-4-2       =       C8H17-2D            2.500E+11 0.51 2620.0
!                                       
C8H17-2E = IC4H9   +       C4H8-1                    6.98E+12     0.16     24963
C8H17-2E = CH3     +       C7H14-5-2                 9.55E+14     -0.59     30592
H       +       C8H16-4-2       =       C8H17-2E            2.500E+11 0.51 2620.0
H       +       C8H16-5-2       =       C8H17-2E            2.500E+11 0.51 2620.0
!                                       
C8H17-2F = DC5H11    +       C3H6                    1.06E+13     0.07     27125
H       +       C8H16-5-2       =       C8H17-2F            2.500E+11 0.51 2620.0
H       +       C8H16-6-2       =       C8H17-2F            2.500E+11 0.51 2620.0
!                                       
!                                       
C8H17-2G = EC6H13    +       C2H4                     2.64E+15     -0.55     31136
H       +       C8H16-6-2       =       C8H17-2G            2.500E+11 0.51 2620.0
!                       
!                       
!                                                           
!      2-METHYLHEXANE                                                  
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!       CLASS 4 ALKYL RADICAL ISOMERIZATION                                                     
!       INCLUDE 5, 6, AND 7 MEMBERED TRANSITION STATE RINGS ONLY                                    
!                                           


C7H15-2A    =       C7H15-2D                     6.92E+00  3.20  1.6558E+04    !TSANG 2007 1-C6H13=3-C6H13 5M P-S
       
C7H15-2A    =       C7H15-2E                     1.82E+02  2.55  1.0960E+04    !TSANG 2007 1-C6H13=2-C6H13  6M P-S       

C7H15-2A    =       C7H15-2F                     6.69E+02  2.31  1.395E+04    !AWAN 2010 6-5MEJ=1-5MEH,  7M P-P

C7H15-2B    =       C7H15-2E                     1.27E+01   3.07  1.744E+04   !AWAN 2010 5-5MEH=2-5MEH, 5M T-S       

C7H15-2B    =       C7H15-2F                     4.86E+01  2.62  1.200E+04   !AWAN 2010 5-5MEH=1-5MEH, 6M T-P     

C7H15-2F    =       C7H15-2C                     6.92E+00  3.20  1.6558E+04    !TSANG 2007 1-C6H13=3-C6H13 5M P-S     

!                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!       2-METHYLHEPTANE                                                 
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!       CLASS 4 ALKYL RADICAL ISOMERIZATION                                                     
!       INCLUDE 5, 6 AND 7 MEMBERED TRANSITION STATE RINGS                                     
!             
!

                                     
C8H17-2A    =       C8H17-2D            6.92E+00  3.20  1.6558E+04    !TSANG 2007 1-C6H13=3-C6H13 5M P-S
   
C8H17-2A    =       C8H17-2E            1.82E+02  2.55  1.0960E+04    !TSANG 2007 1-C6H13=2-C6H13  6M P-S   

C8H17-2A    =       C8H17-2F            2.96E+00  3.08  1.102E+04     !TSANG 2009 1-OCTYL=3-OCTYL. 7M P-S   

C8H17-2B    =       C8H17-2E            1.27E+01  3.07  1.744E+04    !AWAN 2010 5-5MEH=2-5MEH, 5M T-S     
 
C8H17-2B    =       C8H17-2F            4.11E+02  2.42  1.150E+04    !AWAN 2010 5-5MEH=1-5MEH, 6M T-S

C8H17-2B    =       C8H17-2G            4.05E+00  2.51  1.38E+04     !ESTIMATED BY MANI SARATHY 2010, 7M T-P 
 
C8H17-2C    =       C8H17-2F            1.42E+00  3.32  1.614E+04    !TSANG 2009 2-OCTY=4OCTYL, 5M S-S

C8H17-2G    =       C8H17-2C            1.82E+02  2.55  1.0960E+04    !TSANG 2007 1-C6H13=2-C6H13  6M P-S   

C8H17-2G    =       C8H17-2D            6.92E+00  3.20  1.6558E+04    !TSANG 2007 1-C6H13=3-C6H13 5M P-S
    
                 
!                                                           
!                                                           
!                                                           
!             
!                                                           
!                                                           
!                      
!
!
!
!
!
!                                                           
!                                                           
!                                                           
!                                                       
!                                                           
!       2-METHYLHEXANE                                                  
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                        
!       CLASS 5                                                   
!       H ATOM ABSTRACTION FROM ALKENES BY OH, HO2, H, CH3, AND O                                                    
!                                                           
!                                                           
! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY.  ABSTRACTIONS FORM A C7H13-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS                                                     
C7H14-1-2       +       OH      =       C7H13-1-2       +       H2O     3.280E+08       1.61    -3.500E+01                   
C7H14-2-2       +       OH      =       C7H13-1-2       +       H2O     3.280E+08       1.61    -3.500E+01                   
C7H14-3-2       +       OH      =       C7H13-1-2       +       H2O     3.280E+08       1.61    -3.500E+01                   
C7H14-4-2       +       OH      =       C7H13-1-2       +       H2O     3.280E+08       1.61    -3.500E+01                   
C7H14-5-2       +       OH      =       C7H13-1-2       +       H2O     3.280E+08       1.61    -3.500E+01                   
!                                          
!
C7H14-1-2       +       HO2      =       C7H13-1-2       +       H2O2     4.420E+02   3.37  1.372E+04                   
C7H14-2-2       +       HO2      =       C7H13-1-2       +       H2O2     4.420E+02   3.37  1.372E+04                   
C7H14-3-2       +       HO2      =       C7H13-1-2       +       H2O2     4.420E+02   3.37  1.372E+04                   
C7H14-4-2       +       HO2      =       C7H13-1-2       +       H2O2     4.420E+02   3.37  1.372E+04                   
C7H14-5-2       +       HO2      =       C7H13-1-2       +       H2O2     4.420E+02   3.37  1.372E+04                   
!     
!                                                           
! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY.  ABSTRACTIONS FORM A C7H13-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS                                                     
C7H14-1-2       +       H       =       C7H13-1-2       +       H2      9.100E+06  2.40  4.471E+03                   
C7H14-2-2       +       H       =       C7H13-1-2       +       H2      9.100E+06  2.40  4.471E+03                   
C7H14-3-2       +       H       =       C7H13-1-2       +       H2      9.100E+06  2.40  4.471E+03                   
C7H14-4-2       +       H       =       C7H13-1-2       +       H2      9.100E+06  2.40  4.471E+03                   
C7H14-5-2       +       H       =       C7H13-1-2       +       H2      9.100E+06  2.40  4.471E+03         
!                                                           
! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY.  ABSTRACTIONS FORM A C7H13-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS                                                     
C7H14-1-2       +       CH3     =       C7H13-1-2       +       CH4     1.060E+01       3.46    5.481E+03             
C7H14-2-2       +       CH3     =       C7H13-1-2       +       CH4     1.060E+01       3.46    5.481E+03             
C7H14-3-2       +       CH3     =       C7H13-1-2       +       CH4     1.060E+01       3.46    5.481E+03             
C7H14-4-2       +       CH3     =       C7H13-1-2       +       CH4     1.060E+01       3.46    5.481E+03             
C7H14-5-2       +       CH3     =       C7H13-1-2       +       CH4     1.060E+01       3.46    5.481E+03             
!                               
!                                                           
! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY.  ABSTRACTIONS FORM A C7H13-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS                                                     
C7H14-1-2       +       O       =       C7H13-1-2       +       OH      3.860E+06       2.45    2.830E+03                   
C7H14-2-2       +       O       =       C7H13-1-2       +       OH      3.860E+06       2.45    2.830E+03                   
C7H14-3-2       +       O       =       C7H13-1-2       +       OH      3.860E+06       2.45    2.830E+03                   
C7H14-4-2       +       O       =       C7H13-1-2       +       OH      3.860E+06       2.45    2.830E+03                   
C7H14-5-2       +       O       =       C7H13-1-2       +       OH      3.860E+06       2.45    2.830E+03   
!                                                           
!                                                           
!                                                         
!                                                           
!                                                           
!                                                             
!       2-METHYLHEPTANE                                                 
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!       CLASS 5                                                   
!    H ATOM ABSTRACTION FROM ALKENES  BY OH, H, CH3, AND O                                                    
!                                                           
!                                                           
! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY.  ABSTRACTIONS FORM A C8H15-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS                                                     
C8H16-1-2       +       OH      =       C8H15-1-2       +       H2O     3.740E+08       1.61    -3.500E+01                   
C8H16-2-2       +       OH      =       C8H15-1-2       +       H2O     3.740E+08       1.61    -3.500E+01                   
C8H16-3-2       +       OH      =       C8H15-1-2       +       H2O     3.740E+08       1.61    -3.500E+01                   
C8H16-4-2       +       OH      =       C8H15-1-2       +       H2O     3.740E+08       1.61    -3.500E+01                   
C8H16-5-2       +       OH      =       C8H15-1-2       +       H2O     3.740E+08       1.61    -3.500E+01                   
C8H16-6-2       +       OH      =       C8H15-1-2       +       H2O     3.740E+08       1.61    -3.500E+01                   
!                                                        
!    
C8H16-1-2       +       HO2      =       C8H15-1-2       +       H2O2     5.060E+02   3.37  1.372E+04                   
C8H16-2-2       +       HO2      =       C8H15-1-2       +       H2O2     5.060E+02   3.37  1.372E+04                   
C8H16-3-2       +       HO2      =       C8H15-1-2       +       H2O2     5.060E+02   3.37  1.372E+04                   
C8H16-4-2       +       HO2      =       C8H15-1-2       +       H2O2     5.060E+02   3.37  1.372E+04                   
C8H16-5-2       +       HO2      =       C8H15-1-2       +       H2O2     5.060E+02   3.37  1.372E+04                   
C8H16-6-2       +       HO2      =       C8H15-1-2       +       H2O2     5.060E+02   3.37  1.372E+04                   
!                                                       
! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY.  ABSTRACTIONS FORM A C8H15-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS                                                     
C8H16-1-2       +       H       =       C8H15-1-2       +       H2      1.040E+07  2.40  4.471E+03                   
C8H16-2-2       +       H       =       C8H15-1-2       +       H2      1.040E+07  2.40  4.471E+03                   
C8H16-3-2       +       H       =       C8H15-1-2       +       H2      1.040E+07  2.40  4.471E+03                   
C8H16-4-2       +       H       =       C8H15-1-2       +       H2      1.040E+07  2.40  4.471E+03                   
C8H16-5-2       +       H       =       C8H15-1-2       +       H2      1.040E+07  2.40  4.471E+03                   
C8H16-6-2       +       H       =       C8H15-1-2       +       H2      1.040E+07  2.40  4.471E+03                   
!                                                           
! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY.  ABSTRACTIONS FORM A C8H15-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS                                                     
C8H16-1-2       +       CH3     =       C8H15-1-2       +       CH4     1.210E+01       3.46    5.481E+03                   
C8H16-2-2       +       CH3     =       C8H15-1-2       +       CH4     1.210E+01       3.46    5.481E+03                   
C8H16-3-2       +       CH3     =       C8H15-1-2       +       CH4     1.210E+01       3.46    5.481E+03                   
C8H16-4-2       +       CH3     =       C8H15-1-2       +       CH4     1.210E+01       3.46    5.481E+03                   
C8H16-5-2       +       CH3     =       C8H15-1-2       +       CH4     1.210E+01       3.46    5.481E+03                   
C8H16-6-2       +       CH3     =       C8H15-1-2       +       CH4     1.210E+01       3.46    5.481E+03                   
!                                            
! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY.  ABSTRACTIONS FORM A C8H15-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS                                                     
C8H16-1-2       +       O       =       C8H15-1-2       +       OH      4.420E+06       2.45    2.830E+03                  
C8H16-2-2       +       O       =       C8H15-1-2       +       OH      4.420E+06       2.45    2.830E+03                  
C8H16-3-2       +       O       =       C8H15-1-2       +       OH      4.420E+06       2.45    2.830E+03                  
C8H16-4-2       +       O       =       C8H15-1-2       +       OH      4.420E+06       2.45    2.830E+03                  
C8H16-5-2       +       O       =       C8H15-1-2       +       OH      4.420E+06       2.45    2.830E+03                  
C8H16-6-2       +       O       =       C8H15-1-2       +       OH      4.420E+06       2.45    2.830E+03 
!                                            
!                                                                
!                                             
!                                                           
!                                                           
!       2-METHYLHEXANE                                                  
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!       CLASS 6     ADDITION OF RADICAL SPECIES TO ALKENES                                              
!                                                           
!                                                           
C7H14-1-2     +     OH     =     CH2O     +     C6H13-2     1.00E+11    0.00    -4.00E+03       
 REV     /       0.00    0.00    0.00    /                       
C7H14-1-2     +     OH     =     CH3COCH3     +     PC4H9      1.00E+11    0.00    -4.00E+03       
 REV     /       0.00    0.00    0.00    /                       
C7H14-2-2     +     OH     =     CH3COCH3     +     PC4H9      1.00E+11    0.00    -4.00E+03       
 REV     /       0.00    0.00    0.00    /                       
C7H14-3-2     +     OH     =     C2H5CHO     +     IC4H9    1.00E+11    0.00    -4.00E+03       
 REV     /       0.00    0.00    0.00    /                       
C7H14-4-2     +     OH     =     C2H5CHO     +     IC4H9    1.00E+11    0.00    -4.00E+03       
 REV     /       0.00    0.00    0.00    /                       
C7H14-4-2     +     OH     =     CH3CHO     +     DC5H11      1.00E+11    0.00    -4.00E+03       
 REV     /       0.00    0.00    0.00    /                       
C7H14-5-2     +     OH     =     CH3CHO     +     DC5H11      1.00E+11    0.00    -4.00E+03       
 REV     /       0.00    0.00    0.00    /                       
C7H14-5-2     +     OH     =     CH2O     +     EC6H13    1.00E+11    0.00    -4.00E+03       
 REV     /       0.00    0.00    0.00    /                       
!                                                           
C7H14-1-2     +     O     =     CH2O     +     C6H12-2  1.00E+11    0.00    -1.05E+03       
 REV     /       0.00    0.00    0.00    /                       
C7H14-1-2     +     O     =     CH3COCH3     +     C4H8-1       1.00E+11    0.00    -1.05E+03       
 REV     /       0.00    0.00    0.00    /                       
C7H14-2-2     +     O     =     CH3COCH3     +     C4H8-1       1.00E+11    0.00    -1.05E+03       
 REV     /       0.00    0.00    0.00    /                       
C7H14-3-2     +     O     =     C2H5CHO     +     IC4H8 1.00E+11    0.00    -1.05E+03       
 REV     /       0.00    0.00    0.00    /                       
C7H14-4-2     +     O     =     C2H5CHO     +     IC4H8 1.00E+11    0.00    -1.05E+03       
 REV     /       0.00    0.00    0.00    /                       
C7H14-4-2     +     O     =     CH3CHO     +     CC5H10      1.00E+11    0.00    -1.05E+03       
 REV     /       0.00    0.00    0.00    /                       
C7H14-5-2     +     O     =     CH3CHO     +     CC5H10      1.00E+11    0.00    -1.05E+03       
 REV     /       0.00    0.00    0.00    /                       
C7H14-5-2     +     O     =     CH2O     +     DC6H12    1.00E+11    0.00    -1.05E+03       
 REV     /       0.00    0.00    0.00    /                       
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!       2-METHYLHEPTANE                                                 
!                                                           
!                                                           
!                                                           
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!       CLASS 6     ADDITION OF RADICAL SPECIES TO ALKENES                          
!                                       
!                                       
C8H16-1-2     +     OH     =     CH2O     +     C7H15-2     1.00E+11    0.00    -4.00E+03       
 REV     /       0.00    0.00    0.00    /
C8H16-1-2     +     OH     =     CH3COCH3     +     C5H11-1     1.00E+11    0.00    -4.00E+03       
 REV     /       0.00    0.00    0.00    /
C8H16-2-2     +     OH     =     CH3COCH3     +     C5H11-1     1.00E+11    0.00    -4.00E+03       
 REV     /       0.00    0.00    0.00    /
C8H16-3-2     +     OH     =    NC3H7CHO     +     IC4H9    1.00E+11    0.00    -4.00E+03       
 REV     /       0.00    0.00    0.00    /
C8H16-4-2     +     OH     =    NC3H7CHO     +     IC4H9    1.00E+11    0.00    -4.00E+03       
 REV     /       0.00    0.00    0.00    /
C8H16-4-2     +     OH     =     C2H5CHO     +     DC5H11     1.00E+11    0.00    -4.00E+03       
 REV     /       0.00    0.00    0.00    /
C8H16-5-2     +     OH     =     C2H5CHO     +     DC5H11     1.00E+11    0.00    -4.00E+03       
 REV     /       0.00    0.00    0.00    /
C8H16-5-2     +     OH     =     CH3CHO     +     EC6H13      1.00E+11    0.00    -4.00E+03       
 REV     /       0.00    0.00    0.00    /
C8H16-6-2     +     OH     =     CH3CHO     +     EC6H13      1.00E+11    0.00    -4.00E+03       
 REV     /       0.00    0.00    0.00    /
C8H16-6-2     +     OH     =     CH2O     +     C7H15-2F    1.00E+11    0.00    -4.00E+03       
 REV     /       0.00    0.00    0.00    /
!                                       
C8H16-1-2     +     O     =     CH2O     +     C7H14-2  1.00E+11    0.00    -1.05E+03       
 REV     /       0.00    0.00    0.00    /
C8H16-1-2     +     O     =     CH3COCH3     +     C5H10-1      1.00E+11    0.00    -1.05E+03       
 REV     /       0.00    0.00    0.00    /
C8H16-2-2     +     O     =     CH3COCH3     +     C5H10-1      1.00E+11    0.00    -1.05E+03       
 REV     /       0.00    0.00    0.00    /
C8H16-3-2     +     O     =    NC3H7CHO     +     IC4H8 1.00E+11    0.00    -1.05E+03       
 REV     /       0.00    0.00    0.00    /
C8H16-4-2     +     O     =    NC3H7CHO     +     IC4H8 1.00E+11    0.00    -1.05E+03       
 REV     /       0.00    0.00    0.00    /
C8H16-4-2     +     O     =     C2H5CHO     +     CC5H10     1.00E+11    0.00    -1.05E+03       
 REV     /       0.00    0.00    0.00    /
C8H16-5-2     +     O     =     C2H5CHO     +     CC5H10     1.00E+11    0.00    -1.05E+03       
 REV     /       0.00    0.00    0.00    /
C8H16-5-2     +     O     =     CH3CHO     +     DC6H12      1.00E+11    0.00    -1.05E+03       
 REV     /       0.00    0.00    0.00    /
C8H16-6-2     +     O     =     CH3CHO     +     DC6H12      1.00E+11    0.00    -1.05E+03       
 REV     /       0.00    0.00    0.00    /                       
C8H16-6-2     +     O     =     CH2O     +     C7H14-5-2    1.00E+11    0.00    -1.05E+03       
 REV     /       0.00    0.00    0.00    /                       
!                                                           
!                                                           
!                                                           
!                                                           
!                                 
!                                       
!                                       
!       2-METHYLHEXANE       
! CLASS 7
!
C7H13-1-2+HO2<=>AC3H5CHO+NC3H7 + OH  9.640E+12 0.00 0.000E+00
C7H13-1-2+CH3O2<=>AC3H5CHO+NC3H7+CH3O  9.640E+12 0.00 0.000E+00
C7H13-1-2+C2H5O2<=>AC3H5CHO+NC3H7+C2H5O  9.640E+12 0.00 0.000E+00
!
!   
!       2-METHYLHEPTANE       
! CLASS 7
! 
C8H15-1-2+HO2<=>AC3H5CHO+PC4H9 + OH  9.640E+12 0.00 0.000E+00
C8H15-1-2+CH3O2<=>AC3H5CHO+PC4H9+CH3O  9.640E+12 0.00 0.000E+00
C8H15-1-2+C2H5O2<=>AC3H5CHO+PC4H9+C2H5O  9.640E+12 0.00 0.000E+00
!
!                         
!       2-METHYLHEXANE                              
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!                                                           
!                                                           
!       CLASS 8 ALKENYL RADICAL DECOMPOSITION GLOBAL REACTIONS                                              
!                                                           
!                                                           
! THE COMPLEXITY OF THIS SECTION IS REDUCED SINCE ONLY ONE GLOBAL ALKENYL RADICAL WAS FORMED IN CLASS 5 (I.E., C7H13-1-2A)                                                                
C7H13-1-2     =     C3H6     +     C4H71-4   2.50E+13  0.00  3.000E+04
REV /  1.000E+11  0.00  9.600E+03 /
C7H13-1-2     =     IC4H8     +     C3H5-A    2.50E+13  0.00  2.500E+04
REV /  1.000E+11  0.00  9.600E+03 /
C7H13-1-2     =     CC5H10     +     C2H3      2.50E+13  0.00  3.500E+04
REV /  1.000E+11  0.00  9.600E+03 /
!                                                           
C7H13-1-2     =     C3H5-T     +     C4H8-1     2.50E+13  0.00  3.000E+04
REV /  1.000E+11  0.00  9.600E+03 /
C7H13-1-2     =     IC4H7     +     C3H6       2.50E+13  0.00  3.000E+04
REV /  1.000E+11  0.00  9.600E+03 /
C7H13-1-2     =     IC5H9     +     C2H4       2.50E+13  0.00  3.000E+04
REV /  1.000E+11  0.00  9.600E+03 /
!                                                           
!                                                    
!                                                           
!       2-METHYLHEPTANE                                                 
!                                                           
!                                                           
!                                                           
!                                                           
!       CLASS 8 ALKENYL RADICAL DECOMPOSITION GLOBAL REACTIONS                                              
!                                                           
!                                           

C8H15-1-2     =     C3H6     +     C5H91-5 2.50E+13  0.00  3.000E+04
    REV /  1.000E+11  0.00  9.600E+03 /
C8H15-1-2     =     IC4H8     +     C4H71-4  2.50E+13  0.00  3.000E+04
    REV /  1.000E+11  0.00  9.600E+03 /
C8H15-1-2     =     CC5H10     +     C3H5-A    2.50E+13  0.00  2.500E+04
    REV /  1.000E+11  0.00  9.600E+03 /
C8H15-1-2     =     DC6H12     +     C2H3      2.50E+13  0.00  3.500E+04
    REV /  1.000E+11  0.00  9.600E+03 /
!                                                           
C8H15-1-2     =     C3H5-T     +     C5H10-1    2.50E+13  0.00  2.500E+04
    REV /  1.000E+11  0.00  9.600E+03 /
C8H15-1-2     =     IC4H7     +     C4H8-1     2.50E+13  0.00  3.000E+04
    REV /  1.000E+11  0.00  9.600E+03 /
C8H15-1-2     =     IC5H9     +     C3H6       2.50E+13  0.00  3.000E+04
    REV /  1.000E+11  0.00  9.600E+03 /
C8H15-1-2     =     IC6H11     +     C2H4      2.50E+13  0.00  3.000E+04
    REV /  1.000E+11  0.00  9.600E+03 /
!                                                           
!                                                           
!                                                           
!                                       
!                                       
!                                       
!                                       
!                                       
!       2-METHYLHEXANE                              
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!                                                           
!                                                           
!       CLASS 9     DECOMPOSITION OF ALKENES                                                
!                                                           
!                                                           
C7H14-1-2     =     IC4H7     +    NC3H7    2.50E+16    0       71000
    REV /  1.000E+13  0.00  0.000E+00 /
C7H14-2-2     =     IC5H9     +     C2H5    2.50E+16    0       71000
    REV /  1.000E+13  0.00  0.000E+00 /   
C7H14-3-2     =     IC6H11     +     CH3    2.50E+16    0       71000
    REV /  1.000E+13  0.00  0.000E+00 /   
!                                                           
!                                                           
C7H14-4-2     =     IC3H7     +  C4H71-4    2.50E+16    0       71000
    REV /  1.000E+13  0.00  0.000E+00 /   
C7H14-5-2     =     IC4H7     +    NC3H7    2.50E+16    0       71000
    REV /  1.000E+13  0.00  0.000E+00 /   
!                                                 
!                                                           
!                                                           
!       2-METHYLHEPTANE                                                 
!                                                           
!                                                           
!                                                           
!                                                           
!       CLASS 9     DECOMPOSITION OF ALKENES                                                
!                                                           
!                                                           
C8H16-1-2     =     IC4H7     +     PC4H9       2.50E+16    0       71000
    REV /  1.000E+13  0.00  0.000E+00 /   
C8H16-2-2     =     IC5H9     +     NC3H7       2.50E+16    0       71000
    REV /  1.000E+13  0.00  0.000E+00 /   
C8H16-3-2     =     IC6H11     +     C2H5       2.50E+16    0       71000
    REV /  1.000E+13  0.00  0.000E+00 /   
C8H16-4-2     =     C7H13-1-2     +     CH3       2.50E+16    0       71000
    REV /  1.000E+13  0.00  0.000E+00 /   
!                                                           
!                                                           
C8H16-4-2     =     IC3H7     +     C5H91-5    2.50E+16    0       71000
    REV /  1.000E+13  0.00  0.000E+00 /   
C8H16-5-2     =     IC4H7     +     PC4H9       2.50E+16    0       71000
    REV /  1.000E+13  0.00  0.000E+00 /   
C8H16-6-2     =     IC5H9     +     NC3H7       2.50E+16    0       71000
    REV /  1.000E+13  0.00  0.000E+00 /   
!                                                  
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!
!                                       
!                                       
!                                       
!                                       
!       2-METHYLHEXANE                              
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!                                                           
!                                                           
!       CLASS 10    RETROENE REACTIONS                                                  
!                                                           
!                                                           
!                                                           
!                            
C7H14-1-2      =     C4H8-1       +    C3H6    3.98E+12        0       57629   
C8H16-1-2      =     C5H10-1      +    C3H6    3.98E+12        0       57629   
!
!
C7H14-2-2      =     C2H4         +    CC5H10    3.98E+12        0       57629   
C8H16-2-2      =     C3H6         +    CC5H10    3.98E+12        0       57629   
!
!
!
! 
C8H16-3-2      =     C2H4         +    DC6H12    3.98E+12        0       57629   
!                                       
!                         
C7H14-4-2      =     C4H8-1       +    C3H6    3.98E+12        0       57629   
C8H16-4-2      =     C5H10-1      +    C3H6    3.98E+12        0       57629   
!
!
C7H14-5-2      =     C3H6         +    IC4H8    3.98E+12        0       57629   
C8H16-5-2      =     C4H8-1       +    IC4H8    3.98E+12        0       57629   
!
!
C8H16-6-2      =     C3H6         +    CC5H10    3.98E+12        0       57629   
!       2-METHYLHEXANE                              
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!                                                           
!                                                           
! CLASS 11 ADDITION OF O2 TO ALKYL
!
!
C7H15-2A        +        O2        =        C7H15OO-1-2        4.52E+12        0        0
C7H15-2B        +        O2        =        C7H15OO-2-2        1.41E+13        0        0
C7H15-2C        +        O2        =        C7H15OO-3-2        7.54E+12        0        0
C7H15-2D        +        O2        =        C7H15OO-4-2        7.54E+12        0        0
C7H15-2E        +        O2        =        C7H15OO-5-2        7.54E+12        0        0
C7H15-2F        +        O2        =        C7H15OO-6-2        4.52E+12        0        0
!                                                           
!                        2-METHYLHEPTANE        !                        
!                                                           
!
!
!
! CLASS 11 ADDITION OF O2 TO ALKYL                                                        
!
!                                                        
C8H17-2A        +        O2        =        C8H17OO-1-2        4.52E+12        0        0
C8H17-2B        +        O2        =        C8H17OO-2-2        1.41E+13        0        0
C8H17-2C        +        O2        =        C8H17OO-3-2        7.54E+12        0        0
C8H17-2D        +        O2        =        C8H17OO-4-2        7.54E+12        0        0
C8H17-2E        +        O2        =        C8H17OO-5-2        7.54E+12        0        0
C8H17-2F        +        O2        =        C8H17OO-6-2        7.54E+12        0        0
C8H17-2G        +        O2        =        C8H17OO-7-2        4.52E+12        0        0
!                                       
!       2-METHYLHEXANE                              
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!                                                           
!                                                           
!                                                           
!       CLASS 12    R. + R'OO. = RO. + R'O.                                             
!       ADDITION OF ALKYL RADICAL (R.) WITH ALKYLPEROXY RADICAL (R'OO.) TO FORM TWO RO MOLECULES.                                                       
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
C7H15-2A     +     C7H15OO-1-2     =     C7H15O-1-2     +     C7H15O-1-2    7.00E+12    0       -1000   
C7H15-2A     +     C7H15OO-2-2     =     C7H15O-1-2     +     C7H15O-2-2    7.00E+12    0       -1000   
C7H15-2A     +     C7H15OO-3-2     =     C7H15O-1-2     +     C7H15O-3-2    7.00E+12    0       -1000   
C7H15-2A     +     C7H15OO-4-2     =     C7H15O-1-2     +     C7H15O-4-2    7.00E+12    0       -1000   
C7H15-2A     +     C7H15OO-5-2     =     C7H15O-1-2     +     C7H15O-5-2    7.00E+12    0       -1000   
C7H15-2A     +     C7H15OO-6-2     =     C7H15O-1-2     +     C7H15O-6-2    7.00E+12    0       -1000   
!                                                           
!                                                           
C7H15-2B     +     C7H15OO-1-2     =     C7H15O-2-2     +     C7H15O-1-2    7.00E+12    0       -1000   
C7H15-2B     +     C7H15OO-2-2     =     C7H15O-2-2     +     C7H15O-2-2    7.00E+12    0       -1000   
C7H15-2B     +     C7H15OO-3-2     =     C7H15O-2-2     +     C7H15O-3-2    7.00E+12    0       -1000   
C7H15-2B     +     C7H15OO-4-2     =     C7H15O-2-2     +     C7H15O-4-2    7.00E+12    0       -1000   
C7H15-2B     +     C7H15OO-5-2     =     C7H15O-2-2     +     C7H15O-5-2    7.00E+12    0       -1000   
C7H15-2B     +     C7H15OO-6-2     =     C7H15O-2-2     +     C7H15O-6-2    7.00E+12    0       -1000   
C7H15-2C     +     C7H15OO-1-2     =     C7H15O-3-2     +     C7H15O-1-2    7.00E+12    0       -1000   
C7H15-2C     +     C7H15OO-2-2     =     C7H15O-3-2     +     C7H15O-2-2    7.00E+12    0       -1000   
C7H15-2C     +     C7H15OO-3-2     =     C7H15O-3-2     +     C7H15O-3-2    7.00E+12    0       -1000   
C7H15-2C     +     C7H15OO-4-2     =     C7H15O-3-2     +     C7H15O-4-2    7.00E+12    0       -1000   
C7H15-2C     +     C7H15OO-5-2     =     C7H15O-3-2     +     C7H15O-5-2    7.00E+12    0       -1000   
C7H15-2C     +     C7H15OO-6-2     =     C7H15O-3-2     +     C7H15O-6-2    7.00E+12    0       -1000   
!                                                           
C7H15-2D     +     C7H15OO-1-2     =     C7H15O-4-2     +     C7H15O-1-2    7.00E+12    0       -1000   
C7H15-2D     +     C7H15OO-2-2     =     C7H15O-4-2     +     C7H15O-2-2    7.00E+12    0       -1000   
C7H15-2D     +     C7H15OO-3-2     =     C7H15O-4-2     +     C7H15O-3-2    7.00E+12    0       -1000   
C7H15-2D     +     C7H15OO-4-2     =     C7H15O-4-2     +     C7H15O-4-2    7.00E+12    0       -1000   
C7H15-2D     +     C7H15OO-5-2     =     C7H15O-4-2     +     C7H15O-5-2    7.00E+12    0       -1000   
C7H15-2D     +     C7H15OO-6-2     =     C7H15O-4-2     +     C7H15O-6-2    7.00E+12    0       -1000   
!                                                           
!                                                           
C7H15-2E     +     C7H15OO-1-2     =     C7H15O-5-2     +     C7H15O-1-2    7.00E+12    0       -1000   
C7H15-2E     +     C7H15OO-2-2     =     C7H15O-5-2     +     C7H15O-2-2    7.00E+12    0       -1000   
C7H15-2E     +     C7H15OO-3-2     =     C7H15O-5-2     +     C7H15O-3-2    7.00E+12    0       -1000   
C7H15-2E     +     C7H15OO-4-2     =     C7H15O-5-2     +     C7H15O-4-2    7.00E+12    0       -1000   
C7H15-2E     +     C7H15OO-5-2     =     C7H15O-5-2     +     C7H15O-5-2    7.00E+12    0       -1000   
C7H15-2E     +     C7H15OO-6-2     =     C7H15O-5-2     +     C7H15O-6-2    7.00E+12    0       -1000   
!                                                           
!                                                           
C7H15-2F     +     C7H15OO-1-2     =     C7H15O-6-2     +     C7H15O-1-2    7.00E+12    0       -1000   
C7H15-2F     +     C7H15OO-2-2     =     C7H15O-6-2     +     C7H15O-2-2    7.00E+12    0       -1000   
C7H15-2F     +     C7H15OO-3-2     =     C7H15O-6-2     +     C7H15O-3-2    7.00E+12    0       -1000   
C7H15-2F     +     C7H15OO-4-2     =     C7H15O-6-2     +     C7H15O-4-2    7.00E+12    0       -1000   
C7H15-2F     +     C7H15OO-5-2     =     C7H15O-6-2     +     C7H15O-5-2    7.00E+12    0       -1000   
C7H15-2F     +     C7H15OO-6-2     =     C7H15O-6-2     +     C7H15O-6-2    7.00E+12    0       -1000   
!                                                           
!       2-METHYLHEPTANE                                                 
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!       CLASS 12    R. + R'OO. = RO. + R'O.                                             
!       ADDITION OF ALKYL RADICAL (R.) WITH ALKYLPEROXY RADICAL (R'OO.) TO FORM TWO RO MOLECULES.                                                       
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
C8H17-2A     +     C8H17OO-1-2     =     C8H17O-1-2     +     C8H17O-1-2    7.00E+12    0       -1000   
C8H17-2A     +     C8H17OO-2-2     =     C8H17O-1-2     +     C8H17O-2-2    7.00E+12    0       -1000   
C8H17-2A     +     C8H17OO-3-2     =     C8H17O-1-2     +     C8H17O-3-2    7.00E+12    0       -1000   
C8H17-2A     +     C8H17OO-4-2     =     C8H17O-1-2     +     C8H17O-4-2    7.00E+12    0       -1000   
C8H17-2A     +     C8H17OO-5-2     =     C8H17O-1-2     +     C8H17O-5-2    7.00E+12    0       -1000   
C8H17-2A     +     C8H17OO-6-2     =     C8H17O-1-2     +     C8H17O-6-2    7.00E+12    0       -1000   
C8H17-2A     +     C8H17OO-7-2     =     C8H17O-1-2     +     C8H17O-7-2    7.00E+12    0       -1000   
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
C8H17-2B     +     C8H17OO-1-2     =     C8H17O-2-2     +     C8H17O-1-2    7.00E+12    0       -1000   
C8H17-2B     +     C8H17OO-2-2     =     C8H17O-2-2     +     C8H17O-2-2    7.00E+12    0       -1000   
C8H17-2B     +     C8H17OO-3-2     =     C8H17O-2-2     +     C8H17O-3-2    7.00E+12    0       -1000   
C8H17-2B     +     C8H17OO-4-2     =     C8H17O-2-2     +     C8H17O-4-2    7.00E+12    0       -1000   
C8H17-2B     +     C8H17OO-5-2     =     C8H17O-2-2     +     C8H17O-5-2    7.00E+12    0       -1000   
C8H17-2B     +     C8H17OO-6-2     =     C8H17O-2-2     +     C8H17O-6-2    7.00E+12    0       -1000   
C8H17-2B     +     C8H17OO-7-2     =     C8H17O-2-2     +     C8H17O-7-2    7.00E+12    0       -1000   
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
C8H17-2C     +     C8H17OO-1-2     =     C8H17O-3-2     +     C8H17O-1-2    7.00E+12    0       -1000   
C8H17-2C     +     C8H17OO-2-2     =     C8H17O-3-2     +     C8H17O-2-2    7.00E+12    0       -1000   
C8H17-2C     +     C8H17OO-3-2     =     C8H17O-3-2     +     C8H17O-3-2    7.00E+12    0       -1000   
C8H17-2C     +     C8H17OO-4-2     =     C8H17O-3-2     +     C8H17O-4-2    7.00E+12    0       -1000   
C8H17-2C     +     C8H17OO-5-2     =     C8H17O-3-2     +     C8H17O-5-2    7.00E+12    0       -1000   
C8H17-2C     +     C8H17OO-6-2     =     C8H17O-3-2     +     C8H17O-6-2    7.00E+12    0       -1000   
C8H17-2C     +     C8H17OO-7-2     =     C8H17O-3-2     +     C8H17O-7-2    7.00E+12    0       -1000   
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
C8H17-2D     +     C8H17OO-1-2     =     C8H17O-4-2     +     C8H17O-1-2    7.00E+12    0       -1000   
C8H17-2D     +     C8H17OO-2-2     =     C8H17O-4-2     +     C8H17O-2-2    7.00E+12    0       -1000   
C8H17-2D     +     C8H17OO-3-2     =     C8H17O-4-2     +     C8H17O-3-2    7.00E+12    0       -1000   
C8H17-2D     +     C8H17OO-4-2     =     C8H17O-4-2     +     C8H17O-4-2    7.00E+12    0       -1000   
C8H17-2D     +     C8H17OO-5-2     =     C8H17O-4-2     +     C8H17O-5-2    7.00E+12    0       -1000   
C8H17-2D     +     C8H17OO-6-2     =     C8H17O-4-2     +     C8H17O-6-2    7.00E+12    0       -1000   
C8H17-2D     +     C8H17OO-7-2     =     C8H17O-4-2     +     C8H17O-7-2    7.00E+12    0       -1000   
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
C8H17-2E     +     C8H17OO-1-2     =     C8H17O-5-2     +     C8H17O-1-2    7.00E+12    0       -1000   
C8H17-2E     +     C8H17OO-2-2     =     C8H17O-5-2     +     C8H17O-2-2    7.00E+12    0       -1000   
C8H17-2E     +     C8H17OO-3-2     =     C8H17O-5-2     +     C8H17O-3-2    7.00E+12    0       -1000   
C8H17-2E     +     C8H17OO-4-2     =     C8H17O-5-2     +     C8H17O-4-2    7.00E+12    0       -1000   
C8H17-2E     +     C8H17OO-5-2     =     C8H17O-5-2     +     C8H17O-5-2    7.00E+12    0       -1000   
C8H17-2E     +     C8H17OO-6-2     =     C8H17O-5-2     +     C8H17O-6-2    7.00E+12    0       -1000   
C8H17-2E     +     C8H17OO-7-2     =     C8H17O-5-2     +     C8H17O-7-2    7.00E+12    0       -1000   
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
C8H17-2F     +     C8H17OO-1-2     =     C8H17O-6-2     +     C8H17O-1-2    7.00E+12    0       -1000   
C8H17-2F     +     C8H17OO-2-2     =     C8H17O-6-2     +     C8H17O-2-2    7.00E+12    0       -1000   
C8H17-2F     +     C8H17OO-3-2     =     C8H17O-6-2     +     C8H17O-3-2    7.00E+12    0       -1000   
C8H17-2F     +     C8H17OO-4-2     =     C8H17O-6-2     +     C8H17O-4-2    7.00E+12    0       -1000   
C8H17-2F     +     C8H17OO-5-2     =     C8H17O-6-2     +     C8H17O-5-2    7.00E+12    0       -1000   
C8H17-2F     +     C8H17OO-6-2     =     C8H17O-6-2     +     C8H17O-6-2    7.00E+12    0       -1000   
C8H17-2F     +     C8H17OO-7-2     =     C8H17O-6-2     +     C8H17O-7-2    7.00E+12    0       -1000   
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
C8H17-2G     +     C8H17OO-1-2     =     C8H17O-7-2     +     C8H17O-1-2    7.00E+12    0       -1000   
C8H17-2G     +     C8H17OO-2-2     =     C8H17O-7-2     +     C8H17O-2-2    7.00E+12    0       -1000   
C8H17-2G     +     C8H17OO-3-2     =     C8H17O-7-2     +     C8H17O-3-2    7.00E+12    0       -1000   
C8H17-2G     +     C8H17OO-4-2     =     C8H17O-7-2     +     C8H17O-4-2    7.00E+12    0       -1000   
C8H17-2G     +     C8H17OO-5-2     =     C8H17O-7-2     +     C8H17O-5-2    7.00E+12    0       -1000   
C8H17-2G     +     C8H17OO-6-2     =     C8H17O-7-2     +     C8H17O-6-2    7.00E+12    0       -1000   
C8H17-2G     +     C8H17OO-7-2     =     C8H17O-7-2     +     C8H17O-7-2    7.00E+12    0       -1000   
!                                                           
!                                                           
!                                                           
!                                                           
!                              
!                                       
!                                       
!                                       
!                                       
!       2-METHYLHEXANE                              
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!       CLASS 13       R. + HOO. = RO. + OH.                                               
!       ADDITION OF ALKYL RADICAL (R.) WITH HYDROPEROXY RADICAL (HOO.) TO FORM RO AND OH.                                                       
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
C7H15-2A     +     HO2     =     C7H15O-1-2     +     OH    7.00E+12    0       -1000   
C7H15-2B     +     HO2     =     C7H15O-2-2     +     OH    7.00E+12    0       -1000   
C7H15-2C     +     HO2     =     C7H15O-3-2     +     OH    7.00E+12    0       -1000   
C7H15-2D     +     HO2     =     C7H15O-4-2     +     OH    7.00E+12    0       -1000   
C7H15-2E     +     HO2     =     C7H15O-5-2     +     OH    7.00E+12    0       -1000   
C7H15-2F     +     HO2     =     C7H15O-6-2     +     OH    7.00E+12    0       -1000   
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!       2-METHYLHEPTANE                                                 
!                                                           
!                                                           
!                                                           
!       ADDITION OF ALKYL RADICAL (R.) WITH HYDROPEROXY RADICAL (HOO.) TO FORM RO AND OH.                                                       
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
C8H17-2A     +     HO2     =     C8H17O-1-2     +     OH    7.00E+12    0       -1000   
C8H17-2B     +     HO2     =     C8H17O-2-2     +     OH    7.00E+12    0       -1000   
C8H17-2C     +     HO2     =     C8H17O-3-2     +     OH    7.00E+12    0       -1000   
C8H17-2D     +     HO2     =     C8H17O-4-2     +     OH    7.00E+12    0       -1000   
C8H17-2E     +     HO2     =     C8H17O-5-2     +     OH    7.00E+12    0       -1000   
C8H17-2F     +     HO2     =     C8H17O-6-2     +     OH    7.00E+12    0       -1000   
C8H17-2G     +     HO2     =     C8H17O-7-2     +     OH    7.00E+12    0       -1000   
!                                                           
!                                                          
!                                                           
!       CLASS 14                                                                   
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
C7H15-2A     +     CH3O2     =     C7H15O-1-2     +     CH3O     7.00E+12    0       -1000   
C7H15-2B     +     CH3O2     =     C7H15O-2-2     +     CH3O     7.00E+12    0       -1000   
C7H15-2C     +     CH3O2     =     C7H15O-3-2     +     CH3O     7.00E+12    0       -1000   
C7H15-2D     +     CH3O2     =     C7H15O-4-2     +     CH3O     7.00E+12    0       -1000   
C7H15-2E     +     CH3O2     =     C7H15O-5-2     +     CH3O     7.00E+12    0       -1000   
C7H15-2F     +     CH3O2     =     C7H15O-6-2     +     CH3O     7.00E+12    0       -1000   
!                                                           
!                                                           
!                                                           
!                           
!      !       2-METHYLHEPTANE                                                 
!                                                           
!                                                           
!                                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
C8H17-2A     +     CH3O2     =     C8H17O-1-2     +     CH3O    7.00E+12    0       -1000   
C8H17-2B     +     CH3O2     =     C8H17O-2-2     +     CH3O    7.00E+12    0       -1000   
C8H17-2C     +     CH3O2     =     C8H17O-3-2     +     CH3O    7.00E+12    0       -1000   
C8H17-2D     +     CH3O2     =     C8H17O-4-2     +     CH3O    7.00E+12    0       -1000   
C8H17-2E     +     CH3O2     =     C8H17O-5-2     +     CH3O    7.00E+12    0       -1000   
C8H17-2F     +     CH3O2     =     C8H17O-6-2     +     CH3O    7.00E+12    0       -1000   
C8H17-2G     +     CH3O2     =     C8H17O-7-2     +     CH3O    7.00E+12    0       -1000               
!                               
!                               
!                               
!                               
!                                   
!                                   
!                                   
!       CLASS 15    RO2 ISOMERIZATION                           
!           ROO. = .QOOH                        
!       H ATOM TRANSFERS FROM A CARBON TO THE O RADICAL SITE                            
!       INCLUDES TRANSITION STATE RINGS OF 5, 6, 7, 8 ATOMS                          
!       A HYPHEN IS NOT USED TO INDICATE OOH POSITION                           
!       RADICAL SITE DENOTED BY LETTER                          
!                                                          
!                                   
!                                  
!                                       
!       2-METHYLHEXANE                              
!                                       
!                                       
!                                   
C7H15OO-1-2     =       C7OOH1-2A               3.75E+10    0.00    2.400E+04    !6P
C7H15OO-1-2     =       C7OOH1-2B               1.00E+11    0.00    2.370E+04    !5T                
C7H15OO-1-2     =       C7OOH1-2C               2.50E+10    0.00    2.045E+04    !6S
C7H15OO-1-2     =       C7OOH1-2D               3.125E+09   0.00    1.865E+04    !7S
C7H15OO-1-2     =       C7OOH1-2E               3.906E+08   0.00    2.165E+04    !8S
!                                   
!                                   
C7H15OO-2-2     =       C7OOH2-2A               6.00E+11    0.00    2.900E+04    !5P
C7H15OO-2-2     =       C7OOH2-2C               2.00E+11    0.00    2.645E+04    !5S
C7H15OO-2-2     =       C7OOH2-2D               2.50E+10    0.00    2.045E+04    !6S
C7H15OO-2-2     =       C7OOH2-2E               3.125E+09   0.00    1.865E+04    !7S
C7H15OO-2-2     =       C7OOH2-2F               5.86E+08    0.00    2.515E+04    !8P
!                                   
!                                   
C7H15OO-3-2     =       C7OOH3-2A               7.50E+10    0.00    2.400E+04    !6P
C7H15OO-3-2     =       C7OOH3-2B               1.00E+11    0.00    2.370E+04    !5T
C7H15OO-3-2     =       C7OOH3-2D               2.00E+11    0.00    2.645E+04    !5S
C7H15OO-3-2     =       C7OOH3-2E               2.50E+10    0.00    2.045E+04    !6S
C7H15OO-3-2     =       C7OOH3-2F               4.69E+09    0.00    2.195E+04    !7P
!                                   
!                                   
C7H15OO-4-2     =       C7OOH4-2A               9.38E+09    0.00    2.195E+04    !7P
C7H15OO-4-2     =       C7OOH4-2B               1.25E+10    0.00    1.870E+04    !6T
C7H15OO-4-2     =       C7OOH4-2C               2.00E+11    0.00    2.645E+04    !5S
C7H15OO-4-2     =       C7OOH4-2E               2.00E+11    0.00    2.645E+04    !5S
C7H15OO-4-2     =       C7OOH4-2F               3.75E+10    0.00    2.400E+04    !6P
!                                   
!                                   
C7H15OO-5-2     =       C7OOH5-2A               1.17E+09    0.00    2.515E+04    !8P 
C7H15OO-5-2     =       C7OOH5-2B               1.56E+09    0.00    1.665E+04    !7T
C7H15OO-5-2     =       C7OOH5-2C               2.50E+10    0.00    2.045E+04    !6S
C7H15OO-5-2     =       C7OOH5-2D               2.00E+11    0.00    2.645E+04    !5S                
C7H15OO-5-2     =       C7OOH5-2F               3.00E+11    0.00    2.900E+04    !5P                
!                                                   
!                                                   
C7H15OO-6-2     =       C7OOH6-2B               1.95E+08    0.00    1.965E+04    !8T               
C7H15OO-6-2     =       C7OOH6-2C               3.125E+09   0.00    1.865E+04    !7S               
C7H15OO-6-2     =       C7OOH6-2D               2.50E+10    0.00    2.045E+04    !6S
C7H15OO-6-2     =       C7OOH6-2E               2.00E+11    0.00    2.645E+04    !5S
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!       2-METHYLHEPTANE                                         
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!       CLASS 15    RO2 ISOMERIZATION                                           
!           ROO. = .QOOH                                        
!       H ATOM TRANSFERS FROM A CARBON TO THE O RADICAL SITE                                            
!       INCLUDES TRANSITION STATE RINGS OF 5, 6, 7, 8 ATOMS                                          
!       A HYPHEN IS NOT USED TO INDICATE OOH POSITION                                           
!       RADICAL SITE DENOTED BY LETTER                                          
!                                                   
!                                                   
C8H17OO-1-2     =       C8OOH1-2A               3.75E+10    0.00    2.400E+04   !6P  
C8H17OO-1-2     =       C8OOH1-2B               1.00E+11    0.00    2.370E+04   !5T                 
C8H17OO-1-2     =       C8OOH1-2C               2.50E+10    0.00    2.045E+04   !6S
C8H17OO-1-2     =       C8OOH1-2D               3.125E+09   0.00    1.865E+04   !7S 
C8H17OO-1-2     =       C8OOH1-2E               3.906E+08   0.00    2.165E+04   !8S 
!                                   
!                                   
C8H17OO-2-2     =       C8OOH2-2A               6.00E+11    0.00    2.900E+04   !5P 
C8H17OO-2-2     =       C8OOH2-2C               2.00E+11    0.00    2.645E+04   !5S 
C8H17OO-2-2     =       C8OOH2-2D               2.50E+10    0.00    2.045E+04   !6S 
C8H17OO-2-2     =       C8OOH2-2E               3.125E+09   0.00    1.865E+04   !7S 
C8H17OO-2-2     =       C8OOH2-2F               3.906E+08   0.00    2.165E+04   !8S 
!                                   
!                                   
C8H17OO-3-2     =       C8OOH3-2A               7.50E+10    0.00    2.400E+04   !6P
C8H17OO-3-2     =       C8OOH3-2B               1.00E+11    0.00    2.370E+04   !5T 
C8H17OO-3-2     =       C8OOH3-2D               2.00E+11    0.00    2.645E+04   !5S 
C8H17OO-3-2     =       C8OOH3-2E               2.50E+10    0.00    2.045E+04   !6S 
C8H17OO-3-2     =       C8OOH3-2F               3.125E+09   0.00    1.865E+04   !7S 
C8H17OO-3-2     =       C8OOH3-2G               5.86E+08    0.00    2.515E+04   !8P 
!                                   
!                                   
C8H17OO-4-2     =       C8OOH4-2A               9.38E+09    0.00    2.195E+04   !7P
C8H17OO-4-2     =       C8OOH4-2B               1.25E+10    0.00    1.870E+04   !6T 
C8H17OO-4-2     =       C8OOH4-2C               2.00E+11    0.00    2.645E+04   !5S 
C8H17OO-4-2     =       C8OOH4-2E               2.00E+11    0.00    2.645E+04   !5S 
C8H17OO-4-2     =       C8OOH4-2F               2.50E+10    0.00    2.045E+04   !6S 
C8H17OO-4-2     =       C8OOH4-2G               4.69E+09    0.00    2.195E+04   !7P 
!                                   
!                                   
C8H17OO-5-2     =       C8OOH5-2A               1.17E+09    0.00    2.515E+04   !8P 
C8H17OO-5-2     =       C8OOH5-2B               1.56E+09    0.00    1.665E+04   !7T 
C8H17OO-5-2     =       C8OOH5-2C               2.50E+10    0.00    2.045E+04   !6S 
C8H17OO-5-2     =       C8OOH5-2D               2.00E+11    0.00    2.645E+04   !5S 
C8H17OO-5-2     =       C8OOH5-2F               2.00E+11    0.00    2.645E+04   !5S 
C8H17OO-5-2     =       C8OOH5-2G               3.75E+10    0.00    2.400E+04   !6P 
!                                   
!                                   
C8H17OO-6-2     =       C8OOH6-2B               1.95E+08    0.00    1.965E+04   !8T
C8H17OO-6-2     =       C8OOH6-2C               3.125E+09   0.00    1.865E+04   !7S                 
C8H17OO-6-2     =       C8OOH6-2D               2.50E+10    0.00    2.045E+04   !6S 
C8H17OO-6-2     =       C8OOH6-2E               2.00E+11    0.00    2.645E+04   !5S                 
C8H17OO-6-2     =       C8OOH6-2G               3.00E+11    0.00    2.900E+04   !5P                 
!                                                   
!                                                   
C8H17OO-7-2     =       C8OOH7-2C               3.906E+08   0.00    2.165E+04   !8S                
C8H17OO-7-2     =       C8OOH7-2D               3.125E+09   0.00    1.865E+04   !7S                 
C8H17OO-7-2     =       C8OOH7-2E               2.50E+10    0.00    2.045E+04   !6S 
C8H17OO-7-2     =       C8OOH7-2F               2.00E+11    0.00    2.645E+04   !5S                 
!                                                   
!                                              
!                                       
!                                       
!       CLASS 16 RO2=HO2+ALKENE DIRECT ELIMINATION OF HO2 AND ALKENE FROM RO2                            
!                                       
C7H15OO-1-2<=>C7H14-1-2+HO2 2.2650E+35 -7.220 3.944E+04
C7H15OO-2-2<=>C7H14-1-2+HO2 5.920E+42 -9.43 4.153E+04  
C7H15OO-2-2<=>C7H14-2-2+HO2 4.308E+36 -7.50 3.951E+04  
C7H15OO-3-2<=>C7H14-2-2+HO2 2.2650E+35 -7.220 3.944E+04  
C7H15OO-3-2<=>C7H14-3-2+HO2 4.308E+36 -7.50 3.951E+04  
C7H15OO-4-2<=>C7H14-3-2+HO2  4.308E+36 -7.50 3.951E+04  
C7H15OO-4-2<=>C7H14-4-2+HO2  4.308E+36 -7.50 3.951E+04       
C7H15OO-5-2<=>C7H14-4-2+HO2  4.308E+36 -7.50 3.951E+04  
C7H15OO-5-2<=>C7H14-5-2+HO2  5.920E+42 -9.43 4.153E+04  
C7H15OO-6-2<=>C7H14-5-2+HO2  4.308E+36 -7.50 3.951E+04  
!                                       
!                                       
!       
!       CLASS 16 RO2=HO2+ALKENE DIRECT ELIMINATION OF HO2 AND ALKENE FROM RO2                            
!                                       
C8H17OO-1-2<=>C8H16-1-2+HO2 2.2650E+35 -7.220 3.944E+04
C8H17OO-2-2<=>C8H16-1-2+HO2 5.920E+42 -9.43 4.153E+04  
C8H17OO-2-2<=>C8H16-2-2+HO2 4.308E+36 -7.50 3.951E+04  
C8H17OO-3-2<=>C8H16-2-2+HO2 2.2650E+35 -7.220 3.944E+04  
C8H17OO-3-2<=>C8H16-3-2+HO2 4.308E+36 -7.50 3.951E+04  
C8H17OO-4-2<=>C8H16-3-2+HO2  4.308E+36 -7.50 3.951E+04  
C8H17OO-4-2<=>C8H16-4-2+HO2  4.308E+36 -7.50 3.951E+04       
C8H17OO-5-2<=>C8H16-4-2+HO2  4.308E+36 -7.50 3.951E+04  
C8H17OO-5-2<=>C8H16-5-2+HO2  4.308E+36 -7.50 3.951E+04    
C8H17OO-6-2<=>C8H16-5-2+HO2  4.308E+36 -7.50 3.951E+04  
C8H17OO-6-2<=>C8H16-6-2+HO2  5.920E+42 -9.43 4.153E+04  
C8H17OO-7-2<=>C8H16-6-2+HO2  4.308E+36 -7.50 3.951E+04  
!                                       
!                                          
!                                                          
!                                                           
!                                                           
!                                                          
!                                                           
!                                                           
!                                                           
!                                                           
!       CLASS 17    BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS                                                   
!           ROO. + HOO. = ROOH + O2                                             
!                                                           
C7H15OO-1-2     +     HO2     =     C7H15OOH-1-2     +     O2   1.75E+10    0       -3275   
C7H15OO-2-2     +     HO2     =     C7H15OOH-2-2     +     O2   1.75E+10    0       -3275   
C7H15OO-3-2     +     HO2     =     C7H15OOH-3-2     +     O2   1.75E+10    0       -3275   
C7H15OO-4-2     +     HO2     =     C7H15OOH-4-2     +     O2   1.75E+10    0       -3275   
C7H15OO-5-2     +     HO2     =     C7H15OOH-5-2     +     O2   1.75E+10    0       -3275   
C7H15OO-6-2     +     HO2     =     C7H15OOH-6-2     +     O2   1.75E+10    0       -3275   
!                                                           
!                                                           
!       2-METHYLHEPTANE                                                 
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!       CLASS 17    BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS                                                   
!           ROO. + HOO. = ROOH + O2                                             
!                                                           
C8H17OO-1-2     +     HO2     =     C8H17OOH-1-2     +     O2   1.75E+10    0       -3275   
C8H17OO-2-2     +     HO2     =     C8H17OOH-2-2     +     O2   1.75E+10    0       -3275   
C8H17OO-3-2     +     HO2     =     C8H17OOH-3-2     +     O2   1.75E+10    0       -3275   
C8H17OO-4-2     +     HO2     =     C8H17OOH-4-2     +     O2   1.75E+10    0       -3275   
C8H17OO-5-2     +     HO2     =     C8H17OOH-5-2     +     O2   1.75E+10    0       -3275   
C8H17OO-6-2     +     HO2     =     C8H17OOH-6-2     +     O2   1.75E+10    0       -3275   
C8H17OO-7-2     +     HO2     =     C8H17OOH-7-2     +     O2   1.75E+10    0       -3275   
!                                                           
!                               
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!       2-METHYLHEXANE                              
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!                                                           
!                                                           
!       CLASS 18    BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS                                                   
!           ROO. + HOO. = ROOH + HO2                                                
!                                                           
C7H15OO-1-2     +     H2O2     =     C7H15OOH-1-2     +     HO2 2.40E+12    0       1.00E+04    
C7H15OO-2-2     +     H2O2     =     C7H15OOH-2-2     +     HO2 2.40E+12    0       1.00E+04    
C7H15OO-3-2     +     H2O2     =     C7H15OOH-3-2     +     HO2 2.40E+12    0       1.00E+04    
C7H15OO-4-2     +     H2O2     =     C7H15OOH-4-2     +     HO2 2.40E+12    0       1.00E+04    
C7H15OO-5-2     +     H2O2     =     C7H15OOH-5-2     +     HO2 2.40E+12    0       1.00E+04    
C7H15OO-6-2     +     H2O2     =     C7H15OOH-6-2     +     HO2 2.40E+12    0       1.00E+04    
!                                                           
!                                                           
!       2-METHYLHEPTANE                                                 
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!       CLASS 18    BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS                                                   
!           ROO. + HOO. = ROOH + HO2                                                
!                                                           
C8H17OO-1-2     +     H2O2     =     C8H17OOH-1-2     +     HO2 2.40E+12    0       1.00E+04    
C8H17OO-2-2     +     H2O2     =     C8H17OOH-2-2     +     HO2 2.40E+12    0       1.00E+04    
C8H17OO-3-2     +     H2O2     =     C8H17OOH-3-2     +     HO2 2.40E+12    0       1.00E+04    
C8H17OO-4-2     +     H2O2     =     C8H17OOH-4-2     +     HO2 2.40E+12    0       1.00E+04    
C8H17OO-5-2     +     H2O2     =     C8H17OOH-5-2     +     HO2 2.40E+12    0       1.00E+04    
C8H17OO-6-2     +     H2O2     =     C8H17OOH-6-2     +     HO2 2.40E+12    0       1.00E+04    
C8H17OO-7-2     +     H2O2     =     C8H17OOH-7-2     +     HO2 2.40E+12    0       1.00E+04    
!                                                           
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!       2-METHYLHEXANE                              
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!                                                           
!                                                           
!       CLASS 19    BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS                                                   
!           ROO. + HOO. = ROOH + CH3O     +     O2                                              
!                                                           
C7H15OO-1-2     +     CH3O2     =     C7H15O-1-2     +     CH3O     +     O2  1.400E+16  -1.61  1.860E+03    
 REV     /       0.00    0.00    0.00    /                       
C7H15OO-2-2     +     CH3O2     =     C7H15O-2-2     +     CH3O     +     O2  1.400E+16  -1.61  1.860E+03    
 REV     /       0.00    0.00    0.00    /                       
C7H15OO-3-2     +     CH3O2     =     C7H15O-3-2     +     CH3O     +     O2  1.400E+16  -1.61  1.860E+03    
 REV     /       0.00    0.00    0.00    /                       
C7H15OO-4-2     +     CH3O2     =     C7H15O-4-2     +     CH3O     +     O2  1.400E+16  -1.61  1.860E+03    
 REV     /       0.00    0.00    0.00    /                       
C7H15OO-5-2     +     CH3O2     =     C7H15O-5-2     +     CH3O     +     O2  1.400E+16  -1.61  1.860E+03    
 REV     /       0.00    0.00    0.00    /                       
C7H15OO-6-2     +     CH3O2     =     C7H15O-6-2     +     CH3O     +     O2  1.400E+16  -1.61  1.860E+03    
 REV     /       0.00    0.00    0.00    /                       
!                                                           
!                                                           
!       2-METHYLHEPTANE                                                 
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!       CLASS 19    BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS                                                   
!           ROO. + HOO. = ROOH + CH3O     +     O2                                              
!                                                           
C8H17OO-1-2     +     CH3O2     =     C8H17O-1-2     +     CH3O     +     O2  1.400E+16  -1.61  1.860E+03    
 REV     /       0.00    0.00    0.00    /                       
C8H17OO-2-2     +     CH3O2     =     C8H17O-2-2     +     CH3O     +     O2  1.400E+16  -1.61  1.860E+03    
 REV     /       0.00    0.00    0.00    /                       
C8H17OO-3-2     +     CH3O2     =     C8H17O-3-2     +     CH3O     +     O2  1.400E+16  -1.61  1.860E+03    
 REV     /       0.00    0.00    0.00    /                       
C8H17OO-4-2     +     CH3O2     =     C8H17O-4-2     +     CH3O     +     O2  1.400E+16  -1.61  1.860E+03    
 REV     /       0.00    0.00    0.00    /                       
C8H17OO-5-2     +     CH3O2     =     C8H17O-5-2     +     CH3O     +     O2  1.400E+16  -1.61  1.860E+03    
 REV     /       0.00    0.00    0.00    /                       
C8H17OO-6-2     +     CH3O2     =     C8H17O-6-2     +     CH3O     +     O2  1.400E+16  -1.61  1.860E+03    
 REV     /       0.00    0.00    0.00    /                       
C8H17OO-7-2     +     CH3O2     =     C8H17O-7-2     +     CH3O     +     O2  1.400E+16  -1.61  1.860E+03    
 REV     /       0.00    0.00    0.00    /                       
!                                                           
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!       2-METHYLHEXANE                              
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!           CLASS 20                 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS                                                   
!           ROO. + HOO. = ROOH + O2                                             
!                                                           
!                                                           
!                                                           
C7H15OO-1-2     +     C7H15OO-1-2     =     C7H15O-1-2     +     C7H15O-1-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C7H15OO-1-2     +     C7H15OO-2-2     =     C7H15O-1-2     +     C7H15O-2-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C7H15OO-1-2     +     C7H15OO-3-2     =     C7H15O-1-2     +     C7H15O-3-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C7H15OO-1-2     +     C7H15OO-4-2     =     C7H15O-1-2     +     C7H15O-4-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C7H15OO-1-2     +     C7H15OO-5-2     =     C7H15O-1-2     +     C7H15O-5-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C7H15OO-1-2     +     C7H15OO-6-2     =     C7H15O-1-2     +     C7H15O-6-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
!                                                           
!                                                           
C7H15OO-2-2     +     C7H15OO-2-2     =     C7H15O-2-2     +     C7H15O-2-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C7H15OO-2-2     +     C7H15OO-3-2     =     C7H15O-2-2     +     C7H15O-3-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C7H15OO-2-2     +     C7H15OO-4-2     =     C7H15O-2-2     +     C7H15O-4-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C7H15OO-2-2     +     C7H15OO-5-2     =     C7H15O-2-2     +     C7H15O-5-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C7H15OO-2-2     +     C7H15OO-6-2     =     C7H15O-2-2     +     C7H15O-6-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
!                                                           
!                                                           
C7H15OO-3-2     +     C7H15OO-3-2     =     C7H15O-3-2     +     C7H15O-3-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C7H15OO-3-2     +     C7H15OO-4-2     =     C7H15O-3-2     +     C7H15O-4-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C7H15OO-3-2     +     C7H15OO-5-2     =     C7H15O-3-2     +     C7H15O-5-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C7H15OO-3-2     +     C7H15OO-6-2     =     C7H15O-3-2     +     C7H15O-6-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
!                                                           
!                                                           
!                                                           
C7H15OO-4-2     +     C7H15OO-4-2     =     C7H15O-4-2     +     C7H15O-4-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C7H15OO-4-2     +     C7H15OO-5-2     =     C7H15O-4-2     +     C7H15O-5-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C7H15OO-4-2     +     C7H15OO-6-2     =     C7H15O-4-2     +     C7H15O-6-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
!                                                           
!                                                           
C7H15OO-5-2     +     C7H15OO-5-2     =     C7H15O-5-2     +     C7H15O-5-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C7H15OO-5-2     +     C7H15OO-6-2     =     C7H15O-5-2     +     C7H15O-6-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
!                                                           
!                                                           
!                                                           
C7H15OO-6-2     +     C7H15OO-6-2     =     C7H15O-6-2     +     C7H15O-6-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
!                                                           
!       2-METHYLHEPTANE                                                 
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!       CLASS 20    BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS                                                   
!           ROO. + HOO. = ROOH + O2                                             
!                                                           
!                                                           
!                                                           
C8H17OO-1-2     +     C8H17OO-1-2     =     C8H17O-1-2     +     C8H17O-1-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C8H17OO-1-2     +     C8H17OO-2-2     =     C8H17O-1-2     +     C8H17O-2-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C8H17OO-1-2     +     C8H17OO-3-2     =     C8H17O-1-2     +     C8H17O-3-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C8H17OO-1-2     +     C8H17OO-4-2     =     C8H17O-1-2     +     C8H17O-4-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C8H17OO-1-2     +     C8H17OO-5-2     =     C8H17O-1-2     +     C8H17O-5-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C8H17OO-1-2     +     C8H17OO-6-2     =     C8H17O-1-2     +     C8H17O-6-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C8H17OO-1-2     +     C8H17OO-7-2     =     C8H17O-1-2     +     C8H17O-7-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
C8H17OO-2-2     +     C8H17OO-2-2     =     C8H17O-2-2     +     C8H17O-2-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C8H17OO-2-2     +     C8H17OO-3-2     =     C8H17O-2-2     +     C8H17O-3-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C8H17OO-2-2     +     C8H17OO-4-2     =     C8H17O-2-2     +     C8H17O-4-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C8H17OO-2-2     +     C8H17OO-5-2     =     C8H17O-2-2     +     C8H17O-5-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C8H17OO-2-2     +     C8H17OO-6-2     =     C8H17O-2-2     +     C8H17O-6-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C8H17OO-2-2     +     C8H17OO-7-2     =     C8H17O-2-2     +     C8H17O-7-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
C8H17OO-3-2     +     C8H17OO-3-2     =     C8H17O-3-2     +     C8H17O-3-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C8H17OO-3-2     +     C8H17OO-4-2     =     C8H17O-3-2     +     C8H17O-4-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C8H17OO-3-2     +     C8H17OO-5-2     =     C8H17O-3-2     +     C8H17O-5-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C8H17OO-3-2     +     C8H17OO-6-2     =     C8H17O-3-2     +     C8H17O-6-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C8H17OO-3-2     +     C8H17OO-7-2     =     C8H17O-3-2     +     C8H17O-7-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
!                                                           
!                                                           
C8H17OO-4-2     +     C8H17OO-4-2     =     C8H17O-4-2     +     C8H17O-4-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C8H17OO-4-2     +     C8H17OO-5-2     =     C8H17O-4-2     +     C8H17O-5-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C8H17OO-4-2     +     C8H17OO-6-2     =     C8H17O-4-2     +     C8H17O-6-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C8H17OO-4-2     +     C8H17OO-7-2     =     C8H17O-4-2     +     C8H17O-7-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
C8H17OO-5-2     +     C8H17OO-5-2     =     C8H17O-5-2     +     C8H17O-5-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C8H17OO-5-2     +     C8H17OO-6-2     =     C8H17O-5-2     +     C8H17O-6-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C8H17OO-5-2     +     C8H17OO-7-2     =     C8H17O-5-2     +     C8H17O-7-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           

C8H17OO-6-2     +     C8H17OO-6-2     =     C8H17O-6-2     +     C8H17O-6-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
C8H17OO-6-2     +     C8H17OO-7-2     =     C8H17O-6-2     +     C8H17O-7-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
C8H17OO-7-2     +     C8H17OO-7-2     =     C8H17O-7-2     +     C8H17O-7-2     +      O2   1.40E+16    -1.61   1.86E+03    
 REV     /       0.00    0.00    0.00    /                   
!                                                           
!                                
!                                                           
!                                                           
!    CLASS 21
!
!    ROOH  =  RO + OH
!!                                                           
C7H15OOH-1-2     =     C7H15O-1-2     +     OH 1.000E+16 0.00 3.900E+04    
                      
C7H15OOH-2-2     =     C7H15O-2-2     +     OH 1.000E+16 0.00 3.900E+04    
                       
C7H15OOH-3-2     =     C7H15O-3-2     +     OH 1.000E+16 0.00 3.900E+04    
                       
C7H15OOH-4-2     =     C7H15O-4-2     +     OH 1.000E+16 0.00 3.900E+04    
                       
C7H15OOH-5-2     =     C7H15O-5-2     +     OH 1.000E+16 0.00 3.900E+04    
                       
C7H15OOH-6-2     =     C7H15O-6-2     +     OH 1.000E+16 0.00 3.900E+04    
                      
!                                                           
!                                                           
!       2-METHYLHEPTANE                                                 
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!       !    CLASS 21
!
!    ROOH  =  RO + OH
!                                            
!                                                           
C8H17OOH-1-2     =     C8H17O-1-2     +     OH 1.000E+16 0.00 3.900E+04    
                      
C8H17OOH-2-2     =     C8H17O-2-2     +     OH 1.000E+16 0.00 3.900E+04    
                       
C8H17OOH-3-2     =     C8H17O-3-2     +     OH 1.000E+16 0.00 3.900E+04    
                       
C8H17OOH-4-2     =     C8H17O-4-2     +     OH 1.000E+16 0.00 3.900E+04    
                       
C8H17OOH-5-2     =     C8H17O-5-2     +     OH 1.000E+16 0.00 3.900E+04    
                       
C8H17OOH-6-2     =     C8H17O-6-2     +     OH 1.000E+16 0.00 3.900E+04    
                       
C8H17OOH-7-2     =     C8H17O-7-2     +     OH 1.000E+16 0.00 3.900E+04    
                      
!                                               
!                                       
!                                       
!                                       
!                                       
!       2-METHYLHEXANE                              
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!                                       
!                                                           
!                                                           
!       CLASS 22    DECOMPOSITION OF AKYLPEROXY RADICAL (RO.)                                                   
!                                                           
!                                                           
CH2O     +     C6H13-2     =     C7H15O-1-2      1.00E+11    0       11900   
CH3COCH3     +     PC4H9     =     C7H15O-2-2    1.00E+11    0       11900   
IC3H7CHO     +     NC3H7     =     C7H15O-3-2    1.00E+11    0       11900   
C2H5CHO     +     IC4H9     =     C7H15O-4-2    1.00E+11    0       11900   
CH3CHO     +     DC5H11     =     C7H15O-5-2    1.00E+11    0       11900   
CH2O     +     EC6H13     =     C7H15O-6-2    1.00E+11    0       11900   
!                                                           
!                                                           
!       2-METHYLHEPTANE                                                 
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!       CLASS 22    DECOMPOSITION OF AKYLPEROXY RADICAL (RO.)                                                   
!                                                           
!                                                           
CH2O     +     C7H15-2     =     C8H17O-1-2      1.00E+11    0.00    11900    
CH3COCH3     +     C5H11-1     =     C8H17O-2-2  1.00E+11    0       11900
IC3H7CHO     +     PC4H9     =     C8H17O-3-2    1.00E+11    0       11900
NC3H7CHO     +     IC4H9     =     C8H17O-4-2   1.00E+11    0       11900
C2H5CHO     +     DC5H11     =     C8H17O-5-2  1.00E+11    0       11900
CH3CHO     +     EC6H13     =     C8H17O-6-2   1.00E+11    0       11900
CH2O     +     C7H15-2F     =     C8H17O-7-2     1.00E+11    0       11900
!                                                           
!                                                           
!                                                           
!                                                           
!                                                           
!                                   
!                               
!       2-METHYLHEXANE                      
!                               
!                               
!                               
!                               
!                               
!                               
!                               
!                                                           
!                                                           
!                                                           
!       CLASS 23    DECOMPOSITION OF .QOOH TO FORM CYCLIC ETHER (QO) AND OH                                             
!           .QOOH = QO + OH                                             
!       THE REACTIONS ARE ORDERED BY SIZE OF THE CYCLIC ETHER RING BECAUSE THE REACTION RATES ARE DETERMINED BASED ON THE RING SIZE                                                     
!                                                           
!  3 MEMBER RINGS                                                           
C7OOH1-2B       =       C7H14O1-2-2     +       OH              6.00E+11    0.00    2.20E+04                    
 REV     /       0.00    0.00    0.00    /                   
C7OOH2-2A       =       C7H14O1-2-2     +       OH              6.00E+11    0.00    2.20E+04                    
 REV     /       0.00    0.00    0.00    /                   
C7OOH2-2C       =       C7H14O2-3-2     +       OH              6.00E+11    0.00    2.20E+04                    
 REV     /       0.00    0.00    0.00    /                   
C7OOH3-2B       =       C7H14O2-3-2     +       OH              6.00E+11    0.00    2.20E+04                    
 REV     /       0.00    0.00    0.00    /                   
C7OOH3-2D       =       C7H14O3-4-2     +       OH              6.00E+11    0.00    2.20E+04                    
 REV     /       0.00    0.00    0.00    /                   
C7OOH4-2C       =       C7H14O3-4-2     +       OH              6.00E+11    0.00    2.20E+04                    
 REV     /       0.00    0.00    0.00    /                   
C7OOH4-2E       =       C7H14O4-5-2     +       OH              6.00E+11    0.00    2.20E+04                    
 REV     /       0.00    0.00    0.00    /                   
C7OOH5-2D       =       C7H14O4-5-2     +       OH              6.00E+11    0.00    2.20E+04                    
 REV     /       0.00    0.00    0.00    /                   
C7OOH5-2F       =       C7H14O5-6-2     +       OH              6.00E+11    0.00    2.20E+04                    
 REV     /       0.00    0.00    0.00    /                   
C7OOH6-2E       =       C7H14O5-6-2     +       OH              6.00E+11    0.00    2.20E+04                    
 REV     /       0.00    0.00    0.00    /                   
!                                                           
! 4 MEMBER RINGS                                                        
C7OOH1-2A       =       C7H14O1-1-2     +       OH              7.50E+10    0.00    1.53E+04                    
 REV     /       0.00    0.00    0.00    /                   
C7OOH1-2C       =       C7H14O1-3-2     +       OH              7.50E+10    0.00    1.53E+04                    
 REV     /       0.00    0.00    0.00    /                   
C7OOH2-2D       =       C7H14O2-4-2     +       OH              7.50E+10    0.00    1.53E+04                    
 REV     /       0.00    0.00    0.00    /                   
C7OOH3-2A       =       C7H14O1-3-2     +       OH              7.50E+10    0.00    1.53E+04                    
 REV     /       0.00    0.00    0.00    /                   
C7OOH3-2E       =       C7H14O3-5-2     +       OH              7.50E+10    0.00    1.53E+04                    
 REV     /       0.00    0.00    0.00    /                   
C7OOH4-2B       =       C7H14O2-4-2     +       OH              7.50E+10    0.00    1.53E+04                    
 REV     /       0.00    0.00    0.00    /                   
C7OOH4-2F       =       C7H14O4-6-2     +       OH              7.50E+10    0.00    1.53E+04                    
 REV     /       0.00    0.00    0.00    /                   
C7OOH5-2C       =       C7H14O3-5-2     +       OH              7.50E+10    0.00    1.53E+04                    
 REV     /       0.00    0.00    0.00    /                   
C7OOH6-2D       =       C7H14O4-6-2     +       OH              7.50E+10    0.00    1.53E+04                    
 REV     /       0.00    0.00    0.00    /                   
!                                                           
! 5 MEMBER RINGS                                                        
C7OOH1-2D       =       C7H14O1-4-2     +       OH              9.38E+09    0.00    7.00E+03                    
 REV     /       0.00    0.00    0.00    /                   
C7OOH2-2E       =       C7H14O2-5-2     +       OH              9.38E+09    0.00    7.00E+03                    
 REV     /       0.00    0.00    0.00    /                   
C7OOH3-2F       =       C7H14O3-6-2     +       OH              9.38E+09    0.00    7.00E+03                    
 REV     /       0.00    0.00    0.00    /                   
C7OOH4-2A       =       C7H14O1-4-2     +       OH              9.38E+09    0.00    7.00E+03                    
 REV     /       0.00    0.00    0.00    /                   
C7OOH5-2B       =       C7H14O2-5-2     +       OH              9.38E+09    0.00    7.00E+03                    
 REV     /       0.00    0.00    0.00    /                   
C7OOH6-2C       =       C7H14O3-6-2     +       OH              9.38E+09    0.00    7.00E+03                    
 REV     /       0.00    0.00    0.00    /                   
!                                                           
! 6 MEMBER RINGS                                                        
C7OOH1-2E       =       C7H14O1-5-2     +       OH              1.17E+09    0.00    1.80E+03                    
 REV     /       0.00    0.00    0.00    /                   
C7OOH2-2F       =       C7H14O2-6-2     +       OH              1.17E+09    0.00    1.80E+03                    
 REV     /       0.00    0.00    0.00    /                   
C7OOH5-2A       =       C7H14O1-5-2     +       OH              1.17E+09    0.00    1.80E+03                    
 REV     /       0.00    0.00    0.00    /                   
C7OOH6-2B       =       C7H14O2-6-2     +       OH              1.17E+09    0.00    1.80E+03                    
 REV     /       0.00    0.00    0.00    /                   
!                                                           
!                                                           
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!                                                   
!       2-METHYLHEPTANE                                         
!                                                   
!                                                           
!                                                           
!                                                           
!       CLASS 23    DECOMPOSITION OF .QOOH TO FORM CYCLIC ETHER (QO) AND OH                                             
!           .QOOH = QO + OH                                             
!       THE REACTIONS ARE ORDERED BY SIZE OF THE CYCLIC ETHER RING BECAUSE THE REACTION RATES ARE DETERMINED BASED ON THE RING SIZE                                                     
!                                                           
!  3 MEMBER RINGS                                                           
C8OOH1-2B       =       C8H16O1-2-2     +       OH              6.00E+11    0.00    2.20E+04                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH2-2A       =       C8H16O1-2-2     +       OH              6.00E+11    0.00    2.20E+04                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH2-2C       =       C8H16O2-3-2     +       OH              6.00E+11    0.00    2.20E+04                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH3-2B       =       C8H16O2-3-2     +       OH              6.00E+11    0.00    2.20E+04                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH3-2D       =       C8H16O3-4-2     +       OH              6.00E+11    0.00    2.20E+04                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH4-2C       =       C8H16O3-4-2     +       OH              6.00E+11    0.00    2.20E+04                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH4-2E       =       C8H16O4-5-2     +       OH              6.00E+11    0.00    2.20E+04                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH5-2D       =       C8H16O4-5-2     +       OH              6.00E+11    0.00    2.20E+04                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH5-2F       =       C8H16O5-6-2     +       OH              6.00E+11    0.00    2.20E+04                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH6-2E       =       C8H16O5-6-2     +       OH              6.00E+11    0.00    2.20E+04                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH6-2G       =       C8H16O6-7-2     +       OH              6.00E+11    0.00    2.20E+04                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH7-2F       =       C8H16O6-7-2     +       OH              6.00E+11    0.00    2.20E+04                    
 REV     /       0.00    0.00    0.00    /                   
!                                                           
! 4 MEMBER RINGS                                                        
C8OOH1-2A       =       C8H16O1-1-2     +       OH              7.50E+10    0.00    1.53E+04                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH1-2C       =       C8H16O1-3-2     +       OH              7.50E+10    0.00    1.53E+04                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH2-2D       =       C8H16O2-4-2     +       OH              7.50E+10    0.00    1.53E+04                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH3-2A       =       C8H16O1-3-2     +       OH              7.50E+10    0.00    1.53E+04                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH3-2E       =       C8H16O3-5-2     +       OH              7.50E+10    0.00    1.53E+04                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH4-2B       =       C8H16O2-4-2     +       OH              7.50E+10    0.00    1.53E+04                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH4-2F       =       C8H16O4-6-2     +       OH              7.50E+10    0.00    1.53E+04                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH5-2C       =       C8H16O3-5-2     +       OH              7.50E+10    0.00    1.53E+04                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH5-2G       =       C8H16O5-7-2     +       OH              7.50E+10    0.00    1.53E+04                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH6-2D       =       C8H16O4-6-2     +       OH              7.50E+10    0.00    1.53E+04                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH7-2E       =       C8H16O5-7-2     +       OH              7.50E+10    0.00    1.53E+04                    
 REV     /       0.00    0.00    0.00    /                   
!                                                           
! 5 MEMBER RINGS                                                        
C8OOH1-2D       =       C8H16O1-4-2     +       OH              9.38E+09    0.00    7.00E+03                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH2-2E       =       C8H16O2-5-2     +       OH              9.38E+09    0.00    7.00E+03                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH3-2F       =       C8H16O3-6-2     +       OH              9.38E+09    0.00    7.00E+03                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH4-2G       =       C8H16O4-7-2     +       OH              9.38E+09    0.00    7.00E+03                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH4-2A       =       C8H16O1-4-2     +       OH              9.38E+09    0.00    7.00E+03                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH5-2B       =       C8H16O2-5-2     +       OH              9.38E+09    0.00    7.00E+03                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH6-2C       =       C8H16O3-6-2     +       OH              9.38E+09    0.00    7.00E+03                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH7-2D       =       C8H16O4-7-2     +       OH              9.38E+09    0.00    7.00E+03                    
 REV     /       0.00    0.00    0.00    /                   
!                                                           
! 6 MEMBER RINGS                                                        
C8OOH1-2E       =       C8H16O1-5-2     +       OH              1.17E+09    0.00    1.80E+03                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH2-2F       =       C8H16O2-6-2     +       OH              1.17E+09    0.00    1.80E+03                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH3-2G       =       C8H16O3-7-2     +       OH              1.17E+09    0.00    1.80E+03                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH5-2A       =       C8H16O1-5-2     +       OH              1.17E+09    0.00    1.80E+03                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH6-2B       =       C8H16O2-6-2     +       OH              1.17E+09    0.00    1.80E+03                    
 REV     /       0.00    0.00    0.00    /                   
C8OOH7-2C       =       C8H16O3-7-2     +       OH              1.17E+09    0.00    1.80E+03                    
 REV     /       0.00    0.00    0.00    /                   
!                                                           
!                                                           
!                                                   
!                                                   
!                                                   
!                                                   
!               !                                                   
!
!
!
!			2-METHYLHEXANE
!
!
!
!
!
!
!       CLASS 24    .QOOH SPECIES WITH A RADICAL SITE BETA TO THE HYDROPEROXY GROUP DECOMPOSE TO AN ALKENE AND HO2                          
!           .QOOH = ALKENE + HO2 										!			
!
!
!
C7H14-1-2	+	HO2	=	C7OOH1-2B	5.00E+10	0	1.39E+04
!						
C7H14-1-2	+	HO2	=	C7OOH2-2A	5.00E+10	0	1.39E+04
!
C7H14-2-2	+	HO2	=	C7OOH2-2C	5.00E+10	0	1.39E+04
!
C7H14-2-2	+	HO2	=	C7OOH3-2B	5.00E+10	0	1.39E+04
!
C7H14-3-2	+	HO2	=	C7OOH3-2D	5.00E+10	0	1.39E+04
!
C7H14-3-2	+	HO2	=	C7OOH4-2C	5.00E+10	0	1.39E+04
!
C7H14-4-2	+	HO2	=	C7OOH4-2E	5.00E+10	0	1.39E+04
!
C7H14-4-2	+	HO2	=	C7OOH5-2D	5.00E+10	0	1.39E+04
!
C7H14-5-2	+	HO2	=	C7OOH5-2F	5.00E+10	0	1.39E+04
!
C7H14-5-2	+	HO2	=	C7OOH6-2E	5.00E+10	0	1.39E+04
!
!																	
!
!											
!
!											
!
!											
!
!			2-METHYLHEPTANE	
!
!
!
!
!
!
!
!
!
!
!
!
!       CLASS 24    .QOOH SPECIES WITH A RADICAL SITE BETA TO THE HYDROPEROXY GROUP DECOMPOSE TO AN ALKENE AND HO2                          
!           .QOOH = ALKENE + HO2 								
!
!
C8H16-1-2	+	HO2	=	C8OOH1-2B	1.00E+10	0	1.39E+04
!
C8H16-1-2	+	HO2	=	C8OOH2-2A	1.00E+10	0	1.39E+04
!
C8H16-2-2	+	HO2	=	C8OOH2-2C	1.00E+10	0	1.39E+04
!
C8H16-2-2	+	HO2	=	C8OOH3-2B	1.00E+10	0	1.39E+04
!
C8H16-3-2	+	HO2	=	C8OOH3-2D	1.00E+10	0	1.39E+04
!
C8H16-3-2	+	HO2	=	C8OOH4-2C	1.00E+10	0	1.39E+04
!
C8H16-4-2	+	HO2	=	C8OOH4-2E	1.00E+10	0	1.39E+04
!
C8H16-4-2	+	HO2	=	C8OOH5-2D	1.00E+10	0	1.39E+04
!
C8H16-5-2	+	HO2	=	C8OOH5-2F	1.00E+10	0	1.39E+04
!
C8H16-5-2	+	HO2	=	C8OOH6-2E	1.00E+10	0	1.39E+04
!
C8H16-6-2	+	HO2	=	C8OOH6-2G	1.00E+10	0	1.39E+04
!
C8H16-6-2	+	HO2	=	C8OOH7-2F	1.00E+10	0	1.39E+04
!
!							
!
!							
!
!							
!
!							
!							
!
!
!
!
!                                               
!       2-METHYLHEXANE                                      
!                                               
!                                               
!                                               
!                                               
!                                               
!                                               
!       CLASS 25    .QOOH SPECIES PRODUCED BY AN RO2 ISOMERIZATION WITH AN INTERMEDIATE RING OF SIX ATOMS DECOMPOSE VIA BETA SCISSION                                       
!           .QOOH = ALKENE + CARBONYL + OH                                  
!                                               
!                                               
C7OOH1-2A       =       C6H12-1 +       CH2O    +       OH       1.00E+13   0.00   3.0E+04        
 REV     /       0.00    0.00    0.00    /         
C7OOH1-2C       =       C6H12-2 +       CH2O    +       OH       1.00E+13   0.00   3.0E+04        
 REV     /       0.00    0.00    0.00    /      
C7OOH2-2D       =       C4H8-1  +       CH3COCH3    +       OH       1.00E+13   0.00   3.0E+04        
 REV     /       0.00    0.00    0.00    /      
C7OOH3-2E       =       C3H6    +       IC3H7CHO    +       OH       1.00E+13   0.00   3.0E+04        
 REV     /       0.00    0.00    0.00    /      
C7OOH3-2A       =       C3H6    +       NC3H7CHO    +       OH       1.00E+13   0.00   3.0E+04        
 REV     /       0.00    0.00    0.00    /      
C7OOH4-2B       =       IC4H8   +       C2H5CHO +       OH       1.00E+13   0.00   3.0E+04        
 REV     /       0.00    0.00    0.00    /      
C7OOH4-2F       =       C2H4    +       IC4H9CHO    +       OH       1.00E+13   0.00   3.0E+04        
 REV     /       0.00    0.00    0.00    /      
C7OOH5-2C       =       CC5H10       +       CH3CHO  +       OH       1.00E+13   0.00   3.0E+04        
 REV     /       0.00    0.00    0.00    /      
C7OOH6-2D       =       DC6H12       +       CH2O    +       OH       1.00E+13   0.00   3.0E+04        
 REV     /       0.00    0.00    0.00    /      
!                                                           
!                                                           
!                                                           
!       2-METHYLHEPTANE                                                 
!                                                           
!       CLASS 25    .QOOH SPECIES PRODUCED BY AN RO2 ISOMERIZATION WITH AN INTERMEDIATE RING OF SIX ATOMS DECOMPOSE VIA BETA SCISSION                                                   
!           .QOOH = ALKENE + CARBONYL + OH                                              
!                                                           
!                                                           
C8OOH1-2A       =       C7H14-1 +       CH2O    +       OH       1.00E+13   0.00   3.0E+04        
 REV     /       0.00    0.00    0.00    /      
C8OOH1-2C       =       C7H14-2 +       CH2O    +       OH       1.00E+13   0.00   3.0E+04        
 REV     /       0.00    0.00    0.00    /      
C8OOH2-2D       =       C5H10-1 +       CH3COCH3    +       OH       1.00E+13   0.00   3.0E+04        
 REV     /       0.00    0.00    0.00    /      
C8OOH3-2E       =       C4H8-1    +       IC3H7CHO    +       OH       1.00E+13   0.00   3.0E+04        
 REV     /       0.00    0.00    0.00    /      
C8OOH3-2A       =       C3H6    +       NC4H9CHO       +       OH       1.00E+13   0.00   3.0E+04        
 REV     /       0.00    0.00    0.00    /      
C8OOH4-2B       =       IC4H8   +       NC3H7CHO    +       OH       1.00E+13   0.00   3.0E+04        
 REV     /       0.00    0.00    0.00    /      
C8OOH4-2F       =       C3H6    +       IC4H9CHO    +       OH       1.00E+13   0.00   3.0E+04        
 REV     /       0.00    0.00    0.00    /      
C8OOH5-2C       =       CC5H10       +       C2H5CHO +       OH       1.00E+13   0.00   3.0E+04        
 REV     /       0.00    0.00    0.00    /      
C8OOH5-2G       =       C2H4    +       IC5H11CHO       +       OH       1.00E+13   0.00   3.0E+04        
 REV     /       0.00    0.00    0.00    /                     
C8OOH6-2D       =       DC6H12       +       CH3CHO  +       OH       1.00E+13   0.00   3.0E+04        
 REV     /       0.00    0.00    0.00    /                     
C8OOH7-2E       =       C7H14-5-2       +       CH2O    +       OH       1.00E+13   0.00   3.0E+04        
 REV     /       0.00    0.00    0.00    /                     
!                         !     
!     
!     !               
!               
!               
!
!               
!
!               2-METHYLHEXANE     !               
!               
!
!               
!
!               
!   CLASS  26     ADDITION     OF     CLASS     O2     AND     .QOOH     TO     FORM   PEROXYALKYLHYDROPEROXIDE     SPECIES     
!               
C7OOH1-2A     +     O2     =     C7OOH1-OO1-2     4.52E+12	0	0
C7OOH1-2B     +     O2     =     C7OOH1-OO2-2     1.41E+13	0	0
C7OOH1-2C     +     O2     =     C7OOH1-OO3-2     7.54E+12	0	0
C7OOH1-2D     +     O2     =     C7OOH1-OO4-2     7.54E+12	0	0
C7OOH1-2E     +     O2     =     C7OOH1-OO5-2     7.54E+12	0	0
C7OOH2-2A     +     O2     =     C7OOH2-OO1-2     4.52E+12	0	0
C7OOH2-2C     +     O2     =     C7OOH2-OO3-2     7.54E+12	0	0
C7OOH2-2D     +     O2     =     C7OOH2-OO4-2     7.54E+12	0	0
C7OOH2-2E     +     O2     =     C7OOH2-OO5-2     7.54E+12	0	0
C7OOH2-2F     +     O2     =     C7OOH2-OO6-2     4.52E+12	0	0
C7OOH3-2A     +     O2     =     C7OOH3-OO1-2     4.52E+12	0	0
C7OOH3-2B     +     O2     =     C7OOH3-OO2-2     1.41E+13	0	0
C7OOH3-2D     +     O2     =     C7OOH3-OO4-2     7.54E+12	0	0
C7OOH3-2E     +     O2     =     C7OOH3-OO5-2     7.54E+12	0	0
C7OOH3-2F     +     O2     =     C7OOH3-OO6-2     4.52E+12	0	0
C7OOH4-2A     +     O2     =     C7OOH4-OO1-2     4.52E+12	0	0
C7OOH4-2B     +     O2     =     C7OOH4-OO2-2     1.41E+13	0	0
C7OOH4-2C     +     O2     =     C7OOH4-OO3-2     7.54E+12	0	0
C7OOH4-2E     +     O2     =     C7OOH4-OO5-2     7.54E+12	0	0
C7OOH4-2F     +     O2     =     C7OOH4-OO6-2     4.52E+12	0	0
C7OOH5-2A     +     O2     =     C7OOH5-OO1-2     4.52E+12	0	0
C7OOH5-2B     +     O2     =     C7OOH5-OO2-2     1.41E+13	0	0
C7OOH5-2C     +     O2     =     C7OOH5-OO3-2     7.54E+12	0	0
C7OOH5-2D     +     O2     =     C7OOH5-OO4-2     7.54E+12	0	0
C7OOH5-2F     +     O2     =     C7OOH5-OO6-2     4.52E+12	0	0
C7OOH6-2B     +     O2     =     C7OOH6-OO2-2     1.41E+13	0	0
C7OOH6-2C     +     O2     =     C7OOH6-OO3-2     7.54E+12	0	0
C7OOH6-2D     +     O2     =     C7OOH6-OO4-2     7.54E+12	0	0
C7OOH6-2E     +     O2     =     C7OOH6-OO5-2     7.54E+12	0	0
!               
!
!               
!
!               
!
!               
!
!               
!
!               
!
!               
!
!               
!
!               
!
!               
!
!               
!
!               
!
!    2-METHYLHEPTANE            
!
!               
!
C8OOH1-2A     +     O2     =     C8OOH1-OO1-2     4.52E+12	0	0
C8OOH1-2B     +     O2     =     C8OOH1-OO2-2     1.41E+13	0	0
C8OOH1-2C     +     O2     =     C8OOH1-OO3-2     7.54E+12	0	0
C8OOH1-2D     +     O2     =     C8OOH1-OO4-2     7.54E+12	0	0
C8OOH1-2E     +     O2     =     C8OOH1-OO5-2     7.54E+12	0	0
C8OOH2-2A     +     O2     =     C8OOH2-OO1-2     4.52E+12	0	0
C8OOH2-2C     +     O2     =     C8OOH2-OO3-2     7.54E+12	0	0
C8OOH2-2D     +     O2     =     C8OOH2-OO4-2     7.54E+12	0	0
C8OOH2-2E     +     O2     =     C8OOH2-OO5-2     7.54E+12	0	0
C8OOH2-2F     +     O2     =     C8OOH2-OO6-2     7.54E+12	0	0
C8OOH3-2A     +     O2     =     C8OOH3-OO1-2     4.52E+12	0	0
C8OOH3-2B     +     O2     =     C8OOH3-OO2-2     1.41E+13	0	0
C8OOH3-2D     +     O2     =     C8OOH3-OO4-2     7.54E+12	0	0
C8OOH3-2E     +     O2     =     C8OOH3-OO5-2     7.54E+12	0	0
C8OOH3-2F     +     O2     =     C8OOH3-OO6-2     7.54E+12	0	0
C8OOH3-2G     +     O2     =     C8OOH3-OO7-2     4.52E+12	0	0
C8OOH4-2A     +     O2     =     C8OOH4-OO1-2     4.52E+12	0	0
C8OOH4-2B     +     O2     =     C8OOH4-OO2-2     1.41E+13	0	0
C8OOH4-2C     +     O2     =     C8OOH4-OO3-2     7.54E+12	0	0
C8OOH4-2E     +     O2     =     C8OOH4-OO5-2     7.54E+12	0	0
C8OOH4-2F     +     O2     =     C8OOH4-OO6-2     7.54E+12	0	0
C8OOH4-2G     +     O2     =     C8OOH4-OO7-2     4.52E+12	0	0
C8OOH5-2A     +     O2     =     C8OOH5-OO1-2     4.52E+12	0	0
C8OOH5-2B     +     O2     =     C8OOH5-OO2-2     1.41E+13	0	0
C8OOH5-2C     +     O2     =     C8OOH5-OO3-2     7.54E+12	0	0
C8OOH5-2D     +     O2     =     C8OOH5-OO4-2     7.54E+12	0	0
C8OOH5-2F     +     O2     =     C8OOH5-OO6-2     7.54E+12	0	0
C8OOH5-2G     +     O2     =     C8OOH5-OO7-2     4.52E+12	0	0
C8OOH6-2B     +     O2     =     C8OOH6-OO2-2     1.41E+13	0	0
C8OOH6-2C     +     O2     =     C8OOH6-OO3-2     7.54E+12	0	0
C8OOH6-2D     +     O2     =     C8OOH6-OO4-2     7.54E+12	0	0
C8OOH6-2E     +     O2     =     C8OOH6-OO5-2     7.54E+12	0	0
C8OOH6-2G     +     O2     =     C8OOH6-OO7-2     4.52E+12	0	0
C8OOH7-2C     +     O2     =     C8OOH7-OO3-2     7.54E+12	0	0
C8OOH7-2D     +     O2     =     C8OOH7-OO4-2     7.54E+12	0	0
C8OOH7-2E     +     O2     =     C8OOH7-OO5-2     7.54E+12	0	0
C8OOH7-2F     +     O2     =     C8OOH7-OO6-2     7.54E+12	0	0
!               
!
!               
!!       2-METHYLHEXANE
!       
!       
!       
!       
!         
!       
!                                       
!                                       
!                                       
!       CLASS 27    DECOMPOSITION OF PEROXYALKYLHYDROPEROXIDE TO FORM KETOHYDROPEROXIDE S(KET) PLUS OH                              
!           .OOQOOH = KETOHYDROPEROXIDE  +  OH                              
!           (1ST NUMBER IS KETENE GROUP; 2ND NUMBER IS OOH GROUP)                           
!                                       
!                                       
!                                       
!                                       
!                                       
C7OOH1-OO1-2    =       C7KET1-1-2     +     OH         2.50E+10    0.00    2.100E+04   !6P      
C7OOH1-OO2-2    =       C7KET1-2-2     +     OH         2.00E+11    0.00    2.600E+04   !5P     
C7OOH1-OO3-2    =       C7KET1-3-2     +     OH         2.50E+10    0.00    2.100E+04   !6P     
C7OOH1-OO4-2    =       C7KET1-4-2     +     OH         3.125E+09  0.00  1.895E+04      !7P 
C7OOH1-OO5-2    =       C7KET1-5-2     +     OH         3.906E+08  0.00  2.215E+04      !8P
C7OOH3-OO1-2    =       C7KET3-1-2     +     OH         1.250E+10  0.00  1.745E+04      !6S
C7OOH3-OO2-2    =       C7KET3-2-2     +     OH         1.000E+11  0.00  2.345E+04      !5S
C7OOH3-OO4-2    =       C7KET3-4-2     +     OH         1.000E+11  0.00  2.345E+04      !5S
C7OOH3-OO5-2    =       C7KET3-5-2     +     OH         1.250E+10  0.00  1.745E+04      !6S
C7OOH3-OO6-2    =       C7KET3-6-2     +     OH         1.56E+09   0.00  1.565E+04      !7S    
C7OOH4-OO1-2    =       C7KET4-1-2     +     OH         1.56E+09   0.00  1.565E+04      !7S       
C7OOH4-OO2-2    =       C7KET4-2-2     +     OH         1.250E+10  0.00  1.745E+04      !6S 
C7OOH4-OO3-2    =       C7KET4-3-2     +     OH         1.000E+11  0.00  2.345E+04      !6S
C7OOH4-OO5-2    =       C7KET4-5-2     +     OH         1.000E+11  0.00  2.345E+04      !5S
C7OOH4-OO6-2    =       C7KET4-6-2     +     OH         1.250E+10  0.00  1.745E+04      !6S
C7OOH5-OO1-2    =       C7KET5-1-2     +     OH         1.96E+08  0.00  1.865E+04       !8S     
C7OOH5-OO2-2    =       C7KET5-2-2     +     OH         1.56E+09   0.00  1.565E+04      !7S      
C7OOH5-OO3-2    =       C7KET5-3-2     +     OH         1.250E+10  0.00  1.745E+04      !6S
C7OOH5-OO4-2    =       C7KET5-4-2     +     OH         1.000E+11  0.00  2.345E+04      !5S
C7OOH5-OO6-2    =       C7KET5-6-2     +     OH         1.000E+11  0.00  2.345E+04      !5S
C7OOH6-OO2-2    =       C7KET6-2-2     +     OH         3.906E+08  0.00  2.215E+04      !8P
C7OOH6-OO3-2    =       C7KET6-3-2     +     OH         3.125E+09  0.00  1.895E+04      !7P
C7OOH6-OO4-2    =       C7KET6-4-2     +     OH         2.500E+10  0.00  2.100E+04      !6P
C7OOH6-OO5-2    =       C7KET6-5-2     +     OH         2.00E+11    0.00    2.600E+04   !5P
!               
!! !                                   
!                            
!                   
!                   
!                   
!                   
!                   
!                   
!                   
!                   
!                   
!                   
!                   
!                   
!                   
!                   
!                   
!                   
!                   
!                   
!                   
!                   
!                   
!       2-METHYLHEPTANE         
!                   
!                   
!                   
!                   
!                   
!                   
!                   
!                   
!                                       
!                                       
!       CLASS 27    DECOMPOSITION OF PEROXYALKYLHYDROPEROXIDE TO FORM KETOHYDROPEROXIDE S(KET) PLUS OH                              
!           .OOQOOH = KETOHYDROPEROXIDE  +  OH                              
!           (1ST NUMBER IS KETENE GROUP; 2ND NUMBER IS OOH GROUP)                           
!                                       
!                                       
!                                       
!                                       
!                                       
C8OOH1-OO1-2    =       C8KET1-1-2     +     OH         2.50E+10   0.00  2.100E+04       !6P      
C8OOH1-OO2-2    =       C8KET1-2-2     +     OH         2.00E+11   0.00  2.600E+04       !5P    
C8OOH1-OO3-2    =       C8KET1-3-2     +     OH         2.50E+10   0.00  2.100E+04       !6P    
C8OOH1-OO4-2    =       C8KET1-4-2     +     OH         3.125E+09  0.00  1.895E+04       !7P 
C8OOH1-OO5-2    =       C8KET1-5-2     +     OH         3.90E+08   0.00  2.215E+04       !8P   
C8OOH3-OO1-2    =       C8KET3-1-2     +     OH         1.250E+10  0.00  1.745E+04       !6S
C8OOH3-OO2-2    =       C8KET3-2-2     +     OH         1.000E+11  0.00  2.345E+04       !5S
C8OOH3-OO4-2    =       C8KET3-4-2     +     OH         1.000E+11  0.00  2.345E+04       !5S
C8OOH3-OO5-2    =       C8KET3-5-2     +     OH         1.250E+10  0.00  1.745E+04       !6S
C8OOH3-OO6-2    =       C8KET3-6-2     +     OH         1.56E+09   0.00  1.565E+04       !7S      
C8OOH3-OO7-2    =       C8KET3-7-2     +     OH         1.96E+08   0.00  1.865E+04       !8S    
C8OOH4-OO1-2    =       C8KET4-1-2     +     OH         1.56E+09   0.00  1.565E+04       !7S    
C8OOH4-OO2-2    =       C8KET4-2-2     +     OH         1.250E+10  0.00  1.745E+04       !6S
C8OOH4-OO3-2    =       C8KET4-3-2     +     OH         1.000E+11  0.00  2.345E+04       !5S 
C8OOH4-OO5-2    =       C8KET4-5-2     +     OH         1.000E+11  0.00  2.345E+04       !5S
C8OOH4-OO6-2    =       C8KET4-6-2     +     OH         1.250E+10  0.00  1.745E+04       !6S
C8OOH4-OO7-2    =       C8KET4-7-2     +     OH         1.56E+09   0.00  1.565E+04       !7S    
C8OOH5-OO1-2    =       C8KET5-1-2     +     OH         1.96E+08   0.00  1.865E+04       !8S    
C8OOH5-OO2-2    =       C8KET5-2-2     +     OH         1.56E+09   0.00  1.565E+04       !7S     
C8OOH5-OO3-2    =       C8KET5-3-2     +     OH         1.250E+10  0.00  1.745E+04       !6S
C8OOH5-OO4-2    =       C8KET5-4-2     +     OH         1.000E+11  0.00  2.345E+04       !5S
C8OOH5-OO6-2    =       C8KET5-6-2     +     OH         1.000E+11  0.00  2.345E+04       !5S
C8OOH5-OO7-2    =       C8KET5-7-2     +     OH         1.250E+10  0.00  1.745E+04       !6S
C8OOH6-OO2-2    =       C8KET6-2-2     +     OH         1.96E+08   0.00  1.865E+04       !8S    
C8OOH6-OO3-2    =       C8KET6-3-2     +     OH         1.56E+09   0.00  1.565E+04       !7S      
C8OOH6-OO4-2    =       C8KET6-4-2     +     OH         1.250E+10  0.00  1.745E+04       !6S
C8OOH6-OO5-2    =       C8KET6-5-2     +     OH         1.000E+11  0.00  2.345E+04       !5S
C8OOH6-OO7-2    =       C8KET6-7-2     +     OH         1.000E+11  0.00  2.345E+04       !5S
C8OOH7-OO3-2    =       C8KET7-3-2     +     OH         3.906E+08  0.00  2.215E+04       !8P
C8OOH7-OO4-2    =       C8KET7-4-2     +     OH         3.125E+09  0.00  1.895E+04       !7P
C8OOH7-OO5-2    =       C8KET7-5-2     +     OH         2.500E+10  0.00  2.100E+04       !6P
C8OOH7-OO6-2    =       C8KET7-6-2     +     OH         2.00E+11   0.00  2.600E+04       !5P                                         
!                                                                                                  
!                               
!       2-METHYLHEXANE                      
!                               
!                               
!                               
!                               
!                               
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!                                       
!                                       
!                                       
!       CLASS 28 KETOHYDROPEROXIDE DECOMPOSITION                                
!                                       
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!                                       
!                                       
C7KET1-1-2      =       CH2O    +     C2H3CHO    +     OH     +     NC3H7               1.000E+16  0.00  3.900E+04       
 REV     /       0.00    0       0       /       
C7KET1-2-2      =       CH3CO     +     HCO     +     OH     +     PC4H9            1.000E+16  0.00  3.900E+04       
 REV     /       0.00    0       0       /       
C7KET1-3-2      =       CH3CHCHO    +     OH     +     NC3H7CHO         1.000E+16  0.00  3.900E+04       
 REV     /       0.00    0       0       /
C7KET1-4-2      =       IC3H6CHO     +     OH     +     C2H5CHO         1.000E+16  0.00  3.900E+04   
 REV     /       0.00    0       0       /
C7KET1-5-2      =       C4H8CHO4-2     +     OH     +     CH3CHO            1.000E+16  0.00  3.900E+04   
 REV     /       0.00    0       0       /
C7KET3-1-2      =       CH2O     +     NC3H7COC2H4S     +     OH            1.000E+16  0.00  3.900E+04   
 REV     /       0.00    0       0       /
C7KET3-2-2      =       CH3COCH3     +     OH     +     NC3H7CO         1.000E+16  0.00  3.900E+04   
 REV     /       0.00    0       0       /
C7KET3-4-2      =       C2H5CHO     +     OH     +     IC3H7CO          1.000E+16  0.00  3.900E+04   
 REV     /       0.00    0       0       /
C7KET3-5-2      =       IC3H7COCH2     +     OH     +     CH3CHO            1.000E+16  0.00  3.900E+04   
 REV     /       0.00    0       0       /
!C7KET3-6-2      =       IC3H7COC2H4P     +     OH     +     CH2O               1.000E+16  0.00  3.900E+04   
! REV     /       0.00    0       0       /
C7KET4-1-2      =       CH2O     +     OH     +     C3H6     +     C2H5CO               1.000E+16  0.00  3.900E+04           
 REV     /       0.00    0       0       /           
C7KET4-2-2      =       CH3COCH3     +     OH     +     C2H5COCH2               1.000E+16  0.00  3.900E+04           
 REV     /       0.00    0       0       /           
C7KET4-3-2      =       IC3H7CHO     +     OH     +     C2H5CO         1.000E+16  0.00  3.900E+04           
 REV     /       0.00    0       0       /           
C7KET4-5-2      =       IC4H9CO     +     OH     +     CH3CHO           1.000E+16  0.00  3.900E+04           
 REV     /       0.00    0       0       /           
C7KET4-6-2      =       IC4H9COCH2     +     OH     +     CH2O          1.000E+16  0.00  3.900E+04           
 REV     /       0.00    0       0       /           
C7KET5-1-2      =       CH2O     +     OH     +     C3H6     +     CH3COCH2             1.000E+16  0.00  3.900E+04           
 REV     /       0.00    0       0       /           
C7KET5-2-2      =       CH3COCH3     +     OH     +     CH2CH2COCH3             1.000E+16  0.00  3.900E+04           
 REV     /       0.00    0       0       /           
C7KET5-3-2      =       IC3H7CHO     +     OH     +     CH3COCH2            1.000E+16  0.00  3.900E+04   
 REV     /       0.00    0       0       /
C7KET5-4-2      =       IC4H9CHO     +     OH     +     CH3CO           1.000E+16  0.00  3.900E+04   
 REV     /       0.00    0       0       /
C7KET5-6-2      =       IC5H11CO    +     OH     +     CH2O            1.000E+16  0.00  3.900E+04   
 REV     /       0.00    0       0       /
C7KET6-2-2      =       CH3COCH3     +     OH     +     C3H6CHO-1               1.000E+16  0.00  3.900E+04   
 REV     /       0.00    0       0       /
C7KET6-3-2      =       IC3H7CHO     +     OH     +     CH2CH2CHO               1.000E+16  0.00  3.900E+04   
 REV     /       0.00    0       0       /
C7KET6-4-2      =       IC4H9CHO     +     OH     +     CH2CHO           1.000E+16  0.00  3.900E+04   
 REV     /       0.00    0       0       /
C7KET6-5-2      =       IC5H11CHO     +     OH     +     HCO            1.000E+16  0.00  3.900E+04             
 REV     /       0.00    0       0       /
!                                   
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!       2-METHYLHEPTANE                     
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!                               
!                                               
!                                               
!       CLASS 28 KETOHYDROPEROXIDE DECOMPOSITION                                        
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C8KET1-1-2      =       CH2O    +     C2H3CHO    +     OH     +     PC4H9               1.000E+16  0.00  3.900E+04               
 REV     /       0.00    0       0       /               
C8KET1-2-2      =       CH3CO     +     HCO     +     OH     +     C5H11-1              1.000E+16  0.00  3.900E+04               
 REV     /       0.00    0       0       /               
C8KET1-3-2      =       CH3CHCHO    +     OH     +     NC4H9CHO         1.000E+16  0.00  3.900E+04               
 REV     /       0.00    0       0       /               
C8KET1-4-2      =       IC3H6CHO     +     OH     +    NC3H7CHO         1.000E+16  0.00  3.900E+04       
 REV     /       0.00    0       0       /       
C8KET1-5-2      =       C4H8CHO4-2     +     OH     +     C2H5CHO               1.000E+16  0.00  3.900E+04       
 REV     /       0.00    0       0       /       
C8KET3-1-2      =       CH2O     +     OH     +     NC4H9COC2H4P            1.000E+16  0.00  3.900E+04       
 REV     /       0.00    0       0       /       
C8KET3-2-2      =       CH3COCH3     +     OH     +     NC4H9CO         1.000E+16  0.00  3.900E+04       
 REV     /       0.00    0       0       /       
C8KET3-4-2      =       C2H5CHO     +     OH     +     IC4H9CO          1.000E+16  0.00  3.900E+04       
 REV     /       0.00    0       0       /       
C8KET3-5-2      =       IC3H7COCH2     +     OH     +     C2H5CHO               1.000E+16  0.00  3.900E+04       
 REV     /       0.00    0       0       /       
!C8KET3-6-2      =       IC3H7COC2H4P     +     OH     +     CH3CHO             1.000E+16  0.00  3.900E+04       
! REV     /       0.00    0       0       /       
C8KET3-7-2      =       IC3H7COC3H6P     +     OH     +     CH2O            1.000E+16  0.00  3.900E+04       
 REV     /       0.00    0       0       /       
C8KET4-1-2      =       CH2O     +     OH     +     C3H6     +     NC3H7CO               1.000E+16  0.00  3.900E+04       
 REV     /       0.00    0       0       /       
C8KET4-2-2      =       CH3COCH3     +     OH     +     NC3H7COCH2               1.000E+16  0.00  3.900E+04       
 REV     /       0.00    0       0   /       
C8KET4-3-2      =       IC3H7CHO     +     OH     +     NC3H7CO            1.000E+16  0.00  3.900E+04       
 REV     /       0.00    0       0       /       
C8KET4-5-2      =       IC4H9CO     +     OH     +     C2H5CHO          1.000E+16  0.00  3.900E+04       
 REV     /       0.00    0       0       /       
C8KET4-6-2      =       IC4H9COCH2     +     OH     +     CH3CHO            1.000E+16  0.00  3.900E+04       
 REV     /       0.00    0       0       /       
C8KET4-7-2      =       IC4H9COC2H4P     +     OH     +     CH2O               1.000E+16  0.00  3.900E+04       
 REV     /       0.00    0       0       /       
C8KET5-1-2      =       CH2O     +     OH     +     C3H6     +     C2H5COCH2            1.000E+16  0.00  3.900E+04       
 REV     /       0.00    0       0       /       
C8KET5-2-2      =       CH3COCH3     +     OH     +     C2H5COC2H4P            1.000E+16  0.00  3.900E+04       
 REV     /       0.00    0       0       /       
C8KET5-3-2      =       IC3H7CHO     +     OH     +     C2H5COCH2               1.000E+16  0.00  3.900E+04       
 REV     /       0.00    0       0       /       
C8KET5-4-2      =       IC4H9CHO     +     OH     +     C2H5CO          1.000E+16  0.00  3.900E+04       
 REV     /       0.00    0       0       /       
C8KET5-6-2      =       IC5H11CO     +     OH     +     CH3CHO          1.000E+16  0.00  3.900E+04       
 REV     /       0.00    0       0       /       
C8KET5-7-2      =       IC5H11COCH2     +     OH     +     CH2O         1.000E+16  0.00  3.900E+04       
 REV     /       0.00    0       0       /       
C8KET6-2-2      =       CH3COCH3     +     OH     +     C3H6COCH3-1              1.000E+16  0.00  3.900E+04                                       
 REV     /       0.00    0       0       /                                       
C8KET6-3-2      =       IC3H7CHO     +     OH     +     CH2CH2COCH3             1.000E+16  0.00  3.900E+04                                       
 REV     /       0.00    0       0       /                                       
C8KET6-4-2      =       IC4H9CHO     +     OH     +     CH3COCH2            1.000E+16  0.00  3.900E+04                                       
 REV     /       0.00    0       0       /                                       
C8KET6-5-2      =       IC5H11CHO     +     OH     +     CH3CO          1.000E+16  0.00  3.900E+04                                       
 REV     /       0.00    0       0       /                                       
C8KET6-7-2      =       IC6H13CO     +     OH     +     CH2O            1.000E+16  0.00  3.900E+04                                       
 REV     /       0.00    0       0       /                                       
C8KET7-3-2      =       IC3H7CHO     +     OH     +       C3H6CHO-1             1.000E+16  0.00  3.900E+04                                       
 REV     /       0.00    0       0       /                                       
C8KET7-4-2      =       IC4H9CHO     +     OH     +     CH2CH2CHO               1.000E+16  0.00  3.900E+04                                       
 REV     /       0.00    0       0       /                                       
C8KET7-5-2      =       IC5H11CHO     +     OH     +     CH2CHO          1.000E+16  0.00  3.900E+04                                           
 REV     /       0.00    0       0       /                                           
C8KET7-6-2      =       IC6H13CHO     +     OH     +     HCO            1.000E+16  0.00  3.900E+04                                           
 REV     /       0.00    0       0       /                                           
!                                                                           
!                                        
!            
!  2-METHYLHEXANE          
!            
!            
!            
!            
!            
!  CLASS 29  CYCLIC  ETHER  (QO)  REACTIONS  WITH  OH  AND  HO2
!  QO  +  OH  =  H2O  +  PRODUCTS    
!  QO  +  HO2  =  H2O2  +  PRODUCTS    
!              
C7H14O1-1-2  +  OH  =  C6H12-1  +  HCO  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C7H14O1-1-2  +  OH  =  C6H111-6  +  CH2O  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C7H14O1-2-2  +  OH  =  C6H111-6  +  CH2O  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C7H14O1-2-2  +  OH  =  NC3H7  +  IC3H5CHO  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C7H14O1-3-2  +  OH  =  C6H12-2  +  HCO  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C7H14O1-3-2  +  OH  =  NC3H7CO  +  C3H6  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C7H14O1-4-2  +  OH  =  C4H8-1  +  CH3CHCHO  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C7H14O1-4-2  +  OH  =  C2H5COCH2  +  C3H6  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C7H14O1-5-2  +  OH  =  C3H6  +  IC3H6CHO  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C7H14O1-5-2  +  OH  =  CH2CH2COCH3  +  C3H6  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
!              
C7H14O2-3-2  +  OH  =  NC3H7CHO  +  C3H5-T  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C7H14O2-3-2  +  OH  =  NC3H7  +  IC3H6CO  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C7H14O2-4-2  +  OH  =  C2H5CHO  +  IC4H7  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C7H14O2-4-2  +  OH  =  C2H5CO  +  IC4H8  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C7H14O2-5-2  +  OH  =  CH3CHO  +  IC5H9  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C7H14O2-5-2  +  OH  =  CH3COCH2  +  IC4H8  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C7H14O2-6-2  +  OH  =  CH2O  +  IC6H11  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C7H14O2-6-2  +  OH  =  CH2CH2CHO  +  IC4H8  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
!              
C7H14O3-4-2  +  OH  =  CH3  +  IC3H7COC2H3  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C7H14O3-4-2  +  OH  =  C2H5  +  IC3H7CHCO  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C7H14O3-5-2  +  OH  =  C3H6  +  IC3H7CO  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C7H14O3-5-2  +  OH  =  CH3CO  +  CC5H10  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C7H14O3-6-2  +  OH  =  C2H4  +  IC3H7COCH2  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C7H14O3-6-2  +  OH  =  CH2CHO  +  CC5H10  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
!              
C7H14O4-5-2  +  OH  =  CH3CHCO  +  IC4H9  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C7H14O4-5-2  +  OH  =  C2H3COCH3  +  IC3H7  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C7H14O4-6-2  +  OH  =  C2H4  +  IC4H9CO  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C7H14O4-6-2  +  OH  =  HCO  +  DC6H12  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
!              
C7H14O5-6-2  +  OH  =  CH2CO  +  DC5H11  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C7H14O5-6-2  +  OH  =  C2H3CHO  +  IC4H9  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
!              
!              
!              
!              
!              
!              
!              
!  2-METHYLHEPTANE            
!  CLASS 29  CYCLIC  ETHER  (QO)  REACTIONS  WITH  OH  AND  HO2  
!  QO  +  OH  =  H2O  +  PRODUCTS    
!  QO  +  HO2  =  H2O2  +  PRODUCTS    
!              
C8H16O1-1-2  +  OH  =  C7H14-1  +  HCO  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C8H16O1-1-2  +  OH  =  C7H131-7  +  CH2O  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0.00E+00  /      
C8H16O1-2-2  +  OH  =  C7H131-7  +  CH2O  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0.00E+00  /      
C8H16O1-2-2  +  OH  =  PC4H9  +  IC3H5CHO  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0.00E+00  /      
C8H16O1-3-2  +  OH  =  C7H14-2  +  HCO  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0.00E+00  /      
C8H16O1-3-2  +  OH  =  NC4H9CO  +  C3H6  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0.00E+00  /      
C8H16O1-4-2  +  OH  =  C5H10-1  +  CH3CHCHO  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0.00E+00  /      
C8H16O1-4-2  +  OH  =  NC3H7COCH2  +  C3H6  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0.00E+00  /      
C8H16O1-5-2  +  OH  =  C4H8-1  +  IC3H6CHO  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C8H16O1-5-2  +  OH  =  C2H5COC2H4P  +  C3H6  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
!              
C8H16O2-3-2  +  OH  =  NC4H9CHO  +  C3H5-T  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C8H16O2-3-2  +  OH  =  PC4H9+  IC3H6CO  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C8H16O2-4-2  +  OH  =  NC3H7CHO  +  IC4H7  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C8H16O2-4-2  +  OH  =  NC3H7CO  +  IC4H8  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C8H16O2-5-2  +  OH  =  C2H5CHO  +  IC5H9  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C8H16O2-5-2  +  OH  =  C2H5COCH2  +  IC4H8  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C8H16O2-6-2  +  OH  =  CH3CHO  +  IC6H11  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C8H16O2-6-2  +  OH  =  CH2CH2COCH3  +  IC4H8  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
!              
C8H16O3-4-2  +  OH  =  C2H5  +  IC3H7COC2H3  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C8H16O3-4-2  +  OH  =  NC3H7  +  IC3H7CHCO  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C8H16O3-5-2  +  OH  =  C4H8-1 +  IC3H7CO  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C8H16O3-5-2  +  OH  =  C2H5CO  +  CC5H10  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C8H16O3-6-2  +  OH  =  C3H6  +  IC3H7COCH2  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C8H16O3-6-2  +  OH  =  CH3COCH2  +  CC5H10  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
!C8H16O3-7-2  +  OH  =  C2H4  +  IC3H7COC2H4P  +  H2O  2.50E+12  0  0
!  REV  /  0.00E+00  0  0  /      
C8H16O3-7-2  +  OH  =  CH2CH2CHO  +  CC5H10  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
!              
C8H16O4-5-2  +  OH  =  C2H5CHCO  +  IC4H9  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C8H16O4-5-2  +  OH  =  C2H5COC2H3  +  IC3H7  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C8H16O4-6-2  +  OH  =  C3H6  +  IC4H9CO  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C8H16O4-6-2  +  OH  =  CH3CO  +  DC6H12  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C8H16O4-7-2  +  OH  =  CH2CHO +  DC6H12  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C8H16O4-7-2  +  OH  =  C2H4  +  IC4H9COCH2  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
!              
C8H16O5-6-2  +  OH  =  CH3CHCO  +  DC5H11  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C8H16O5-6-2  +  OH  =  C2H3COCH3  +  IC4H9  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C8H16O5-7-2  +  OH  =  HCO  +  C7H14-5-2  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C8H16O5-7-2  +  OH  =  C2H4  +  IC5H11CO  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
!              
C8H16O6-7-2  +  OH  =  C2H3CHO  +  DC5H11  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
C8H16O6-7-2  +  OH  =  CH2CO  +  EC6H13  +  H2O  2.50E+12  0  0
  REV  /  0.00E+00  0  0  /      
!
!
!
!
!
!
!
!
!            !  2-METHYLHEXANE          
!            
!            
!            
!            
!            
!  CLASS 29  CYCLIC  ETHER  (QO)  REACTIONS  WITH  OH  AND  HO2
!  QO  +  OH  =  H2O  +  PRODUCTS    
!  QO  +  HO2  =  H2O2  +  PRODUCTS    
!              
C7H14O1-1-2  +  HO2  =  C6H12-1  +  HCO  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C7H14O1-1-2  +  HO2  =  C6H111-6  +  CH2O  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C7H14O1-2-2  +  HO2  =  C6H111-6  +  CH2O  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C7H14O1-2-2  +  HO2  =  NC3H7  +  IC3H5CHO  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C7H14O1-3-2  +  HO2  =  C6H12-2  +  HCO  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C7H14O1-3-2  +  HO2  =  NC3H7CO  +  C3H6  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C7H14O1-4-2  +  HO2  =  C4H8-1  +  CH3CHCHO  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C7H14O1-4-2  +  HO2  =  C2H5COCH2  +  C3H6  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C7H14O1-5-2  +  HO2  =  C3H6  +  IC3H6CHO  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C7H14O1-5-2  +  HO2  =  CH2CH2COCH3  +  C3H6  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /    
   
!              
C7H14O2-3-2  +  HO2  =  NC3H7CHO  +  C3H5-T  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C7H14O2-3-2  +  HO2  =  NC3H7  +  IC3H6CO  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C7H14O2-4-2  +  HO2  =  C2H5CHO  +  IC4H7  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C7H14O2-4-2  +  HO2  =  C2H5CO  +  IC4H8  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C7H14O2-5-2  +  HO2  =  CH3CHO  +  IC5H9  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C7H14O2-5-2  +  HO2  =  CH3COCH2  +  IC4H8  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C7H14O2-6-2  +  HO2  =  CH2O  +  IC6H11  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C7H14O2-6-2  +  HO2  =  CH2CH2CHO  +  IC4H8  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
!              
C7H14O3-4-2  +  HO2  =  CH3  +  IC3H7COC2H3  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C7H14O3-4-2  +  HO2  =  C2H5  +  IC3H7CHCO  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C7H14O3-5-2  +  HO2  =  C3H6  +  IC3H7CO  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C7H14O3-5-2  +  HO2  =  CH3CO  +  CC5H10  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C7H14O3-6-2  +  HO2  =  C2H4  +  IC3H7COCH2  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C7H14O3-6-2  +  HO2  =  CH2CHO  +  CC5H10  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
!              
C7H14O4-5-2  +  HO2  =  CH3CHCO  +  IC4H9  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C7H14O4-5-2  +  HO2  =  C2H3COCH3  +  IC3H7  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C7H14O4-6-2  +  HO2  =  C2H4  +  IC4H9CO  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C7H14O4-6-2  +  HO2  =  HCO  +  DC6H12  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
!              
C7H14O5-6-2  +  HO2  =  CH2CO  +  DC5H11   +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C7H14O5-6-2  +  HO2  =  C2H3CHO  +  IC4H9  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
!              
!  2-METHYLHEPTANE            
!  CLASS 29  CYCLIC  ETHER  (QO)  REACTIONS  WITH  OH  AND  HO2  
!  QO  +  OH  =  H2O  +  PRODUCTS    
!  QO  +  HO2  =  H2O2  +  PRODUCTS    
!              
C8H16O1-1-2  +  HO2  =  C7H14-1  +  HCO  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C8H16O1-1-2  +  HO2  =  C7H131-7  +  CH2O  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0.00E+00  /      
C8H16O1-2-2  +  HO2  =  C7H131-7  +  CH2O  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0.00E+00  /      
C8H16O1-2-2  +  HO2  =  PC4H9  +  IC3H5CHO  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0.00E+00  /      
C8H16O1-3-2  +  HO2  =  C7H14-2  +  HCO  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0.00E+00  /      
C8H16O1-3-2  +  HO2  =  NC4H9CO  +  C3H6  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0.00E+00  /      
C8H16O1-4-2  +  HO2  =  C5H10-1  +  CH3CHCHO  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0.00E+00  /      
C8H16O1-4-2  +  HO2  =  NC3H7COCH2  +  C3H6  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0.00E+00  /      
C8H16O1-5-2  +  HO2  =  C4H8-1  +  IC3H6CHO  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C8H16O1-5-2  +  HO2  =  C2H5COC2H4P +  C3H6  +  H2O2  5.00E+12  0  17700 
  REV  /  0.00E+00  0  0  /      
!              
C8H16O2-3-2  +  HO2  =  NC4H9CHO  +  C3H5-T  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C8H16O2-3-2  +  HO2  =  PC4H9+  IC3H6CO  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C8H16O2-4-2  +  HO2  =  NC3H7CHO  +  IC4H7  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C8H16O2-4-2  +  HO2  =  NC3H7CO  +  IC4H8  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C8H16O2-5-2  +  HO2  =  C2H5CHO  +  IC5H9  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C8H16O2-5-2  +  HO2  =  C2H5COCH2  +  IC4H8  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C8H16O2-6-2  +  HO2  =  CH3CHO  +  IC6H11  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C8H16O2-6-2  +  HO2  =  CH2CH2COCH3  +  IC4H8  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
!              
C8H16O3-4-2  +  HO2  =  C2H5  +  IC3H7COC2H3  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C8H16O3-4-2  +  HO2  =  NC3H7  +  IC3H7CHCO  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C8H16O3-5-2  +  HO2  =  C4H8-1 +  IC3H7CO  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C8H16O3-5-2  +  HO2  =  C2H5CO  +  CC5H10  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C8H16O3-6-2  +  HO2  =  C3H6  +  IC3H7COCH2  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C8H16O3-6-2  +  HO2  =  CH3COCH2  +  CC5H10  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
!C8H16O3-7-2  +  HO2  =  C2H4  +  IC3H7COC2H4P  +  H2O2  5.00E+12  0  17700
!  REV  /  0.00E+00  0  0  /      
C8H16O3-7-2  +  HO2  =  CH2CH2CHO  +  CC5H10  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
!              
C8H16O4-5-2  +  HO2  =  C2H5CHCO  +  IC4H9  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C8H16O4-5-2  +  HO2  =  C2H5COC2H3  +  IC3H7  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C8H16O4-6-2  +  HO2  =  C3H6  +  IC4H9CO  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C8H16O4-6-2  +  HO2  =  CH3CO  +  DC6H12  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C8H16O4-7-2  +  HO2  =  CH2CHO  +  DC6H12  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C8H16O4-7-2  +  HO2  =  C2H4  +  IC4H9COCH2  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
!              
C8H16O5-6-2  +  HO2  =  CH3CHCO  +  DC5H11  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C8H16O5-6-2  +  HO2  =  C2H3COCH3  +  IC4H9  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C8H16O5-7-2  +  HO2  =  HCO  +  C7H14-5-2  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C8H16O5-7-2  +  HO2  =  C2H4  +  IC5H11CO  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
!              
C8H16O6-7-2  +  HO2  =  C2H3CHO  +  DC5H11  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
C8H16O6-7-2  +  HO2  =  CH2CO  +  EC6H13  +  H2O2  5.00E+12  0  17700
  REV  /  0.00E+00  0  0  /      
!              
!              
!              
!              
!              
!                                       
!                                       
!                                       
!    CLASS 30 MISCELLANEOUS REACTIONS
!
!
!   LARGE ALDEHYDES
!     SIMPLIFIED CONSUMPTION MECHANISMS FOR ALDEHYDES LARGER THAN NC5
!
!
!
!
!
!C4H8CHO4-2  =  C2H4+CH3CHCHO  1.031E+15  -0.62  2.317E+04
!    REV /  1.000E+11  0.00  7.800E+03 /
!
!
!
!
!
!
!
NC8H17CHO + O2  =  NC8H17CO+HO2  2.000E+13  0.50  4.220E+04
    REV /  1.000E+07  0.00  4.000E+04 /
NC8H17CHO + OH  =  NC8H17CO+H2O  2.690E+10  0.76 -3.400E+02
    REV /  1.740E+10  0.76  3.120E+04 /
NC8H17CHO+H  =  NC8H17CO+H2  4.000E+13  0.00  4.200E+03
    REV /  1.800E+13  0.00  2.400E+04 /
NC8H17CHO+O  =  NC8H17CO + OH  5.000E+12  0.00  1.790E+03
    REV /  1.000E+12  0.00  1.900E+04 /
NC8H17CHO+HO2  =  NC8H17CO+H2O2  2.800E+12  0.00  1.360E+04
    REV /  1.000E+12  0.00  1.000E+04 /
NC8H17CHO+CH3  =  NC8H17CO+CH4  1.700E+12  0.00  8.440E+03
    REV /  1.500E+13  0.00  2.800E+04 /
NC8H17CHO+CH3O  =  NC8H17CO+CH3OH  1.150E+11  0.00  1.280E+03
    REV /  3.000E+11  0.00  1.800E+04 /
NC8H17CHO+CH3O2  =  NC8H17CO+CH3O2H  1.000E+12  0.00  9.500E+03
    REV /  2.500E+10  0.00  1.000E+04 /
NC8H17CO  =  C8H17-1+CO  1.000E+11  0.00  9.600E+03
    REV /  1.000E+11  0.00  0.000 /
!
NC7H15CHO + O2  =  NC7H15CO+HO2  2.000E+13  0.50  4.220E+04
    REV /  1.000E+07  0.00  4.000E+04 /
NC7H15CHO + OH  =  NC7H15CO+H2O  2.690E+10  0.76 -3.400E+02
    REV /  1.740E+10  0.76  3.120E+04 /
NC7H15CHO+H  =  NC7H15CO+H2  4.000E+13  0.00  4.200E+03
    REV /  1.800E+13  0.00  2.400E+04 /
NC7H15CHO+O  =  NC7H15CO + OH  5.000E+12  0.00  1.790E+03
    REV /  1.000E+12  0.00  1.900E+04 /
NC7H15CHO+HO2  =  NC7H15CO+H2O2  2.800E+12  0.00  1.360E+04
    REV /  1.000E+12  0.00  1.000E+04 /
NC7H15CHO+CH3  =  NC7H15CO+CH4  1.700E+12  0.00  8.440E+03
    REV /  1.500E+13  0.00  2.800E+04 /
NC7H15CHO+CH3O  =  NC7H15CO+CH3OH  1.150E+11  0.00  1.280E+03
    REV /  3.000E+11  0.00  1.800E+04 /
NC7H15CHO+CH3O2  =  NC7H15CO+CH3O2H  1.000E+12  0.00  9.500E+03
    REV /  2.500E+10  0.00  1.000E+04 /
NC7H15CO  =  C7H15-1+CO  1.000E+11  0.00  9.600E+03
    REV /  1.000E+11  0.00  0.000 /
!
NC6H13CHO + O2  =  NC6H13CO+HO2  2.000E+13  0.50  4.220E+04
    REV /  1.000E+07  0.00  4.000E+04 /
NC6H13CHO + OH  =  NC6H13CO+H2O  2.690E+10  0.76 -3.400E+02
    REV /  1.740E+10  0.76  3.120E+04 /
NC6H13CHO+H  =  NC6H13CO+H2  4.000E+13  0.00  4.200E+03
    REV /  1.800E+13  0.00  2.400E+04 /
NC6H13CHO+O  =  NC6H13CO + OH  5.000E+12  0.00  1.790E+03
    REV /  1.000E+12  0.00  1.900E+04 /
NC6H13CHO+HO2  =  NC6H13CO+H2O2  2.800E+12  0.00  1.360E+04
    REV /  1.000E+12  0.00  1.000E+04 /
NC6H13CHO+CH3  =  NC6H13CO+CH4  1.700E+12  0.00  8.440E+03
    REV /  1.500E+13  0.00  2.800E+04 /
NC6H13CHO+CH3O  =  NC6H13CO+CH3OH  1.150E+11  0.00  1.280E+03
    REV /  3.000E+11  0.00  1.800E+04 /
NC6H13CHO+CH3O2  =  NC6H13CO+CH3O2H  1.000E+12  0.00  9.500E+03
    REV /  2.500E+10  0.00  1.000E+04 /
NC6H13CO  =  C6H13-1+CO  1.000E+11  0.00  9.600E+03
    REV /  1.000E+11  0.00  0.000 /
!
!
!
!
IC8H17CHO + O2  =  IC8H17CO+HO2  2.000E+13  0.50  4.220E+04
    REV /  1.000E+07  0.00  4.000E+04 /
IC8H17CHO + OH  =  IC8H17CO+H2O  2.690E+10  0.76 -3.400E+02
    REV /  1.740E+10  0.76  3.120E+04 /
IC8H17CHO+H  =  IC8H17CO+H2  4.000E+13  0.00  4.200E+03
    REV /  1.800E+13  0.00  2.400E+04 /
IC8H17CHO+O  =  IC8H17CO + OH  5.000E+12  0.00  1.790E+03
    REV /  1.000E+12  0.00  1.900E+04 /
IC8H17CHO+HO2  =  IC8H17CO+H2O2  2.800E+12  0.00  1.360E+04
    REV /  1.000E+12  0.00  1.000E+04 /
IC8H17CHO+CH3  =  IC8H17CO+CH4  1.700E+12  0.00  8.440E+03
    REV /  1.500E+13  0.00  2.800E+04 /
IC8H17CHO+CH3O  =  IC8H17CO+CH3OH  1.150E+11  0.00  1.280E+03
    REV /  3.000E+11  0.00  1.800E+04 /
IC8H17CHO+CH3O2  =  IC8H17CO+CH3O2H  1.000E+12  0.00  9.500E+03
    REV /  2.500E+10  0.00  1.000E+04 /
IC8H17CO  =  C8H17-2G+CO  1.000E+11  0.00  9.600E+03
    REV /  1.000E+11  0.00  0.000 /
!
IC7H15CHO + O2  =  IC7H15CO+HO2  2.000E+13  0.50  4.220E+04
    REV /  1.000E+07  0.00  4.000E+04 /
IC7H15CHO + OH  =  IC7H15CO+H2O  2.690E+10  0.76 -3.400E+02
    REV /  1.740E+10  0.76  3.120E+04 /
IC7H15CHO+H  =  IC7H15CO+H2  4.000E+13  0.00  4.200E+03
    REV /  1.800E+13  0.00  2.400E+04 /
IC7H15CHO+O  =  IC7H15CO + OH  5.000E+12  0.00  1.790E+03
    REV /  1.000E+12  0.00  1.900E+04 /
IC7H15CHO+HO2  =  IC7H15CO+H2O2  2.800E+12  0.00  1.360E+04
    REV /  1.000E+12  0.00  1.000E+04 /
IC7H15CHO+CH3  =  IC7H15CO+CH4  1.700E+12  0.00  8.440E+03
    REV /  1.500E+13  0.00  2.800E+04 /
IC7H15CHO+CH3O  =  IC7H15CO+CH3OH  1.150E+11  0.00  1.280E+03
    REV /  3.000E+11  0.00  1.800E+04 /
IC7H15CHO+CH3O2  =  IC7H15CO+CH3O2H  1.000E+12  0.00  9.500E+03
    REV /  2.500E+10  0.00  1.000E+04 /
IC7H15CO  =  C7H15-2F+CO  1.000E+11  0.00  9.600E+03
    REV /  1.000E+11  0.00  0.000 /
!
IC6H13CHO + O2  =  IC6H13CO+HO2  2.000E+13  0.50  4.220E+04
    REV /  1.000E+07  0.00  4.000E+04 /
IC6H13CHO + OH  =  IC6H13CO+H2O  2.690E+10  0.76 -3.400E+02
    REV /  1.740E+10  0.76  3.120E+04 /
IC6H13CHO+H  =  IC6H13CO+H2  4.000E+13  0.00  4.200E+03
    REV /  1.800E+13  0.00  2.400E+04 /
IC6H13CHO+O  =  IC6H13CO + OH  5.000E+12  0.00  1.790E+03
    REV /  1.000E+12  0.00  1.900E+04 /
IC6H13CHO+HO2  =  IC6H13CO+H2O2  2.800E+12  0.00  1.360E+04
    REV /  1.000E+12  0.00  1.000E+04 /
IC6H13CHO+CH3  =  IC6H13CO+CH4  1.700E+12  0.00  8.440E+03
    REV /  1.500E+13  0.00  2.800E+04 /
IC6H13CHO+CH3O  =  IC6H13CO+CH3OH  1.150E+11  0.00  1.280E+03
    REV /  3.000E+11  0.00  1.800E+04 /
IC6H13CHO+CH3O2  =  IC6H13CO+CH3O2H  1.000E+12  0.00  9.500E+03
    REV /  2.500E+10  0.00  1.000E+04 /
IC6H13CO  =  EC6H13+CO  1.000E+11  0.00  9.600E+03
    REV /  1.000E+11  0.00  0.000 /
!
!
IC5H11CHO + O2  =  IC5H11CO+HO2  2.000E+13  0.50  4.220E+04
    REV /  1.000E+07  0.00  4.000E+04 /
!IC5H11CHO + OH  =  IC5H11CO+H2O  2.690E+10  0.76 -3.400E+02
!    REV /  1.740E+10  0.76  3.120E+04 /
IC5H11CHO+H  =  IC5H11CO+H2  4.000E+13  0.00  4.200E+03
    REV /  1.800E+13  0.00  2.400E+04 /
IC5H11CHO+O  =  IC5H11CO + OH  5.000E+12  0.00  1.790E+03
    REV /  1.000E+12  0.00  1.900E+04 /
!IC5H11CHO+HO2  =  IC5H11CO+H2O2  2.800E+12  0.00  1.360E+04
!    REV /  1.000E+12  0.00  1.000E+04 /
IC5H11CHO+CH3  =  IC5H11CO+CH4  1.700E+12  0.00  8.440E+03
    REV /  1.500E+13  0.00  2.800E+04 /
IC5H11CHO+CH3O  =  IC5H11CO+CH3OH  1.150E+11  0.00  1.280E+03
    REV /  3.000E+11  0.00  1.800E+04 /
!IC5H11CHO+CH3O2  =  IC5H11CO+CH3O2H  1.000E+12  0.00  9.500E+03
!    REV /  2.500E+10  0.00  1.000E+04 /
!IC5H11CO  =  DC5H11+CO  1.000E+11  0.00  9.600E+03
!    REV /  1.000E+11  0.00  0.000 /
!
!
IC4H9CHO + O2  =  IC4H9CO+HO2  2.000E+13  0.50  4.220E+04
    REV /  1.000E+07  0.00  4.000E+04 /
!IC4H9CHO + OH  =  IC4H9CO+H2O  2.690E+10  0.76 -3.400E+02
!    REV /  1.740E+10  0.76  3.120E+04 /
IC4H9CHO+H  =  IC4H9CO+H2  4.000E+13  0.00  4.200E+03
    REV /  1.800E+13  0.00  2.400E+04 /
IC4H9CHO+O  =  IC4H9CO + OH  5.000E+12  0.00  1.790E+03
    REV /  1.000E+12  0.00  1.900E+04 /
!IC4H9CHO+HO2  =  IC4H9CO+H2O2  2.800E+12  0.00  1.360E+04
!    REV /  1.000E+12  0.00  1.000E+04 /
IC4H9CHO+CH3  =  IC4H9CO+CH4  1.700E+12  0.00  8.440E+03
    REV /  1.500E+13  0.00  2.800E+04 /
IC4H9CHO+CH3O  =  IC4H9CO+CH3OH  1.150E+11  0.00  1.280E+03
    REV /  3.000E+11  0.00  1.800E+04 /
!IC4H9CHO+CH3O2  =  IC4H9CO+CH3O2H  1.000E+12  0.00  9.500E+03
!    REV /  2.500E+10  0.00  1.000E+04 /
!IC4H9CO  =  IC4H9+CO  1.000E+11  0.00  9.600E+03
!    REV /  1.000E+11  0.00  0.000 /
!
!
!
!
!
!
!
!
!
!
NC3H7COC2H3+H = H2+C3H6+C2H3CO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC3H7COC2H3 + OH = H2O+C3H6+C2H3CO    3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC3H7COC2H3+O = OH+C3H6+C2H3CO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC3H7COC2H3+HO2 = H2O2+C3H6+C2H3CO  5.000E+12  0.00  15000.
   REV / 0.00  0.00  0.00 /
NC3H7COC2H3+H = H2+C2H5CHCO+C2H3      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC3H7COC2H3 + OH = H2O+C2H5CHCO+C2H3    3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC3H7COC2H3+O = OH+C2H5CHCO+C2H3      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC3H7COC2H3+HO2 = H2O2+C2H5CHCO+C2H3  5.000E+12  0.00  15000.
   REV / 0.00  0.00  0.00 /
!
NC4H9COC2H3+H = H2+C4H8-1+C2H3CO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC4H9COC2H3 + OH = H2O+C4H8-1+C2H3CO    3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC4H9COC2H3+O = OH+C4H8-1+C2H3CO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC4H9COC2H3+HO2 = H2O2+C4H8-1+C2H3CO  5.000E+12  0.00  15000.
   REV / 0.00  0.00  0.00 /
NC4H9COC2H3+H = H2+NC3H7CHCO+C2H3      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC4H9COC2H3 + OH = H2O+NC3H7CHCO+C2H3    3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC4H9COC2H3+O = OH+NC3H7CHCO+C2H3      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC4H9COC2H3+HO2 = H2O2+NC3H7CHCO+C2H3  5.000E+12  0.00  15000.
   REV / 0.00  0.00  0.00 /
!
NC5H11COC2H3+H = H2+C5H10-1+C2H3CO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC5H11COC2H3 + OH = H2O+C5H10-1+C2H3CO    3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC5H11COC2H3+O = OH+C5H10-1+C2H3CO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC5H11COC2H3+HO2 = H2O2+C5H10-1+C2H3CO  5.000E+12  0.00  15000.
   REV / 0.00  0.00  0.00 /
NC5H11COC2H3+H = H2+NC4H9CHCO+C2H3      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC5H11COC2H3 + OH = H2O+NC4H9CHCO+C2H3    3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC5H11COC2H3+O = OH+NC4H9CHCO+C2H3      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC5H11COC2H3+HO2 = H2O2+NC4H9CHCO+C2H3  5.000E+12  0.00  15000.
   REV / 0.00  0.00  0.00 /
!
NC6H13COC2H3+H = H2+C6H12-1+C2H3CO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC6H13COC2H3 + OH = H2O+C6H12-1+C2H3CO    3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC6H13COC2H3+O = OH+C6H12-1+C2H3CO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC6H13COC2H3+HO2 = H2O2+C6H12-1+C2H3CO  5.000E+12  0.00  15000.
   REV / 0.00  0.00  0.00 /
NC6H13COC2H3+H = H2+NC5H11CHCO+C2H3      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC6H13COC2H3 + OH = H2O+NC5H11CHCO+C2H3    3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC6H13COC2H3+O = OH+NC5H11CHCO+C2H3      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC6H13COC2H3+HO2 = H2O2+NC5H11CHCO+C2H3  5.000E+12  0.00  15000.
   REV / 0.00  0.00  0.00 /
!
!
NC7H15COC2H3+H = H2+C7H14-1+C2H3CO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC7H15COC2H3 + OH = H2O+C7H14-1+C2H3CO    3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC7H15COC2H3+O = OH+C7H14-1+C2H3CO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC7H15COC2H3+HO2 = H2O2+C7H14-1+C2H3CO  5.000E+12  0.00  15000.
   REV / 0.00  0.00  0.00 /
NC7H15COC2H3+H = H2+NC6H13CHCO+C2H3      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC7H15COC2H3 + OH = H2O+NC6H13CHCO+C2H3    3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC7H15COC2H3+O = OH+NC6H13CHCO+C2H3      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC7H15COC2H3+HO2 = H2O2+NC6H13CHCO+C2H3  5.000E+12  0.00  15000.
   REV / 0.00  0.00  0.00 /
!
!
NC8H17COC2H3+H = H2+C8H16-1+C2H3CO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC8H17COC2H3 + OH = H2O+C8H16-1+C2H3CO    3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC8H17COC2H3+O = OH+C8H16-1+C2H3CO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC8H17COC2H3+HO2 = H2O2+C8H16-1+C2H3CO  5.000E+12  0.00  15000.
   REV / 0.00  0.00  0.00 /
NC8H17COC2H3+H = H2+NC7H15CHCO+C2H3      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC8H17COC2H3 + OH = H2O+NC7H15CHCO+C2H3    3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC8H17COC2H3+O = OH+NC7H15CHCO+C2H3      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC8H17COC2H3+HO2 = H2O2+NC7H15CHCO+C2H3  5.000E+12  0.00  15000.
   REV / 0.00  0.00  0.00 /
!
!
NC3H7CHCO+H = H2+C3H6+HCCO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC3H7CHCO+O = OH+C3H6+HCCO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC3H7CHCO + OH = H2O+C3H6+HCCO    3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC3H7CHCO+HO2 = H2O2+C3H6+HCCO      5.000E+12  0.00  15000.
   REV / 0.00  0.00  0.00 /
NC3H7CHCO+H = PC4H9+CO        3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC3H7CHCO+O = C4H8-1+CO2          3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC3H7CHCO + OH = PC4H9+CO2          3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
!
NC4H9CHCO+H = H2+C4H8-1+HCCO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC4H9CHCO+O = OH+C4H8-1+HCCO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC4H9CHCO + OH = H2O+C4H8-1+HCCO    3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC4H9CHCO+HO2 = H2O2+C4H8-1+HCCO      5.000E+12  0.00  15000.
   REV / 0.00  0.00  0.00 /
NC4H9CHCO+H = C5H11-1+CO          3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC4H9CHCO+O = C5H10-1+CO2         3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC4H9CHCO + OH = C5H11-1+CO2        3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
!
NC5H11CHCO+H = H2+C5H10-1+HCCO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC5H11CHCO+O = OH+C5H10-1+HCCO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC5H11CHCO + OH = H2O+C5H10-1+HCCO    3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC5H11CHCO+HO2 = H2O2+C5H10-1+HCCO      5.000E+12  0.00  15000.
   REV / 0.00  0.00  0.00 /
NC5H11CHCO+H = C6H13-1+CO           3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC5H11CHCO+O = C6H12-1+CO2          3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC5H11CHCO + OH = C6H13-1+CO2         3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
!
NC6H13CHCO+H = H2+C6H12-1+HCCO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC6H13CHCO+O = OH+C6H12-1+HCCO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC6H13CHCO + OH = H2O+C6H12-1+HCCO    3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC6H13CHCO+HO2 = H2O2+C6H12-1+HCCO      5.000E+12  0.00  15000.
   REV / 0.00  0.00  0.00 /
NC6H13CHCO+H = C7H15-1+CO           3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC6H13CHCO+O = C7H14-1+CO2          3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC6H13CHCO + OH = C7H15-1+CO2         3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
!
NC7H15CHCO+H = H2+C7H14-1+HCCO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC7H15CHCO+O = OH+C7H14-1+HCCO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC7H15CHCO + OH = H2O+C7H14-1+HCCO    3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC7H15CHCO+HO2 = H2O2+C7H14-1+HCCO      5.000E+12  0.00  15000.
   REV / 0.00  0.00  0.00 /
NC7H15CHCO+H = C8H17-1+CO           3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC7H15CHCO+O = C8H16-1+CO2          3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
NC7H15CHCO + OH = C8H17-1+CO2         3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
!
!
!
!
IC3H7CHCO+H = H2+C3H6+HCCO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
IC3H7CHCO+O = OH+C3H6+HCCO      3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
IC3H7CHCO + OH = H2O+C3H6+HCCO    3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
IC3H7CHCO+HO2 = H2O2+C3H6+HCCO      5.000E+12  0.00  15000.
   REV / 0.00  0.00  0.00 /
IC3H7CHCO+H = PC4H9+CO        3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
IC3H7CHCO+O = C4H8-1+CO2          3.000E+12  0.00  0.000
   REV / 0.00  0.00  0.00 /
!
!   DECOMPOSITION OF LARGE RADICALS
!
!
!
NC8H17COCH2  =  C8H17-1+CH2CO       2.000E+13  0.00  31000.
   REV / 2.000E+11  0.00  7350.  /
NC7H15COCH2  =  C7H15-1+CH2CO       2.000E+13  0.00  31000.
   REV / 2.000E+11  0.00  7350.  /
NC6H13COCH2  =  C6H13-1+CH2CO       2.000E+13  0.00  31000.
   REV / 2.000E+11  0.00  7350.  /
NC5H11COCH2  =  C5H11-1+CH2CO       2.000E+13  0.00  31000.
   REV / 2.000E+11  0.00  7350.  /
!
IC8H17COCH2  =  C8H17-2F+CH2CO       2.000E+13  0.00  31000.
   REV / 2.000E+11  0.00  7350.  /
IC7H15COCH2  =  C7H15-2E+CH2CO       2.000E+13  0.00  31000.
   REV / 2.000E+11  0.00  7350.  /
IC6H13COCH2  =  DC6H13+CH2CO       2.000E+13  0.00  31000.
   REV / 2.000E+11  0.00  7350.  /
IC5H11COCH2  =  CC5H11+CH2CO       2.000E+13  0.00  31000.
   REV / 2.000E+11  0.00  7350.  /
IC4H9COCH2  =  PC4H9+CH2CO       2.000E+13  0.00  31000.
   REV / 2.000E+11  0.00  7350.  /
!IC3H7COCH2  =  IC3H7+CH2CO  2.880E+15  -0.54  3.994E+04
!    REV /  8.000E+10  0.00  1.060E+04 /
!
NC8H17COC2H4P  =  NC8H17CO+C2H4        5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  / 
NC7H15COC2H4P  =  NC7H15CO+C2H4        5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  /
NC6H13COC2H4P  =  NC6H13CO+C2H4        5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  /
NC5H11COC2H4P  =  NC5H11CO+C2H4        5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  /
NC4H9COC2H4P  =  NC4H9CO+C2H4         5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  /
!
!
IC8H17COC2H4P  =  IC8H17CO+C2H4        5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  / 
IC7H15COC2H4P  =  IC7H15CO+C2H4        5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  /
IC6H13COC2H4P  =  IC6H13CO+C2H4        5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  /
IC5H11COC2H4P  =  IC5H11CO+C2H4        5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  /
IC4H9COC2H4P  =  IC4H9CO+C2H4         5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  /
!
!
NC8H17COC3H6P  =  NC8H17COCH2+C2H4      5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  /
NC7H15COC3H6P  =  NC7H15COCH2+C2H4      5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  /
NC6H13COC3H6P  =  NC6H13COCH2+C2H4      5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  /
NC5H11COC3H6P  =  NC5H11COCH2+C2H4      5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  /
NC4H9COC3H6P  =  NC4H9COCH2+C2H4      5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  /
NC3H7COC3H6P  =  NC3H7COCH2+C2H4      5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  /
!
!
IC8H17COC3H6P  =  IC8H17COCH2+C2H4      5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  /
IC7H15COC3H6P  =  IC7H15COCH2+C2H4      5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  /
IC6H13COC3H6P  =  IC6H13COCH2+C2H4      5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  /
IC5H11COC3H6P  =  IC5H11COCH2+C2H4      5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  /
IC4H9COC3H6P  =  IC4H9COCH2+C2H4      5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  /
IC3H7COC3H6P  =  IC3H7COCH2+C2H4      5.000E+17  -1.5  26000.
   REV / 2.500E+11  0.00  7800.  /

! C5 SUBMECHANISM FROM WESTBROOKS 2METHYLHEPTANE MECH FOR AC5H11, BC5H11, CC5H11, DC5H11, AC5H10, BC5H10, CC5H10, IC5H11
  BC5H10 + OH  =  IC5H9+H2O  1.000E+12  0.00  1.230E+03
    REV /  5.000E+12  0.00  2.650E+04 /
  CC5H10 + OH  =  IC5H9+H2O  1.000E+12  0.00  1.230E+03
    REV /  5.000E+12  0.00  2.650E+04 /
  BC5H10+H  =  IC5H9+H2  1.000E+12  0.00  3.800E+03
    REV /  1.000E+12  0.00  2.500E+04 /
  CC5H10+H  =  IC5H9+H2  1.000E+12  0.00  3.800E+03
    REV /  1.000E+12  0.00  2.500E+04 /
  BC5H10+CH3  =  IC5H9+CH4  5.000E+11  0.00  7.300E+03
    REV /  6.000E+11  0.00  2.500E+04 /
  CC5H10+CH3  =  IC5H9+CH4  5.000E+11  0.00  7.300E+03
    REV /  6.000E+11  0.00  2.500E+04 /
  BC5H10+O  =  IC5H9 + OH  3.700E+05  2.56 -1.130E+03
    REV /  1.000E+12  0.00  2.500E+04 /
 IC5H9  =  C3H4-A+C2H5  1.983E+20  -1.63  5.924E+04
    REV /  2.000E+11  0.00  8.300E+03 /
!  BC5H10  =  CH3+C4H72-2  2.500E+16  0.00  7.100E+04
  CC5H10  =  CH3+C4H72-2  2.500E+16  0.00  7.100E+04



!C6 SUBMECHANISM FROM WESTBROOK'S 2METHYLHEPTANE MECHANISM FOR EC6H13, DC6H13, DC6H12, CC6H12, AND IC6H11

!
CC6H12 + OH = IC6H11+H2O 3.000E+13 0.00 1.230E+03
REV/ 8.986E+14 -0.06 3.864E+04 /
DC6H12 + OH = IC6H11+H2O 3.000E+13 0.00 1.230E+03
REV/ 4.214E+14 0.11 4.124E+04 /
!
CC6H12+H = IC6H11+H2 3.700E+13 0.00 3.900E+03
REV/ 2.560E+14 -0.06 2.615E+04 /
DC6H12+H = IC6H11+H2 3.700E+13 0.00 3.900E+03
REV/ 1.200E+14 0.11 2.875E+04 /
!
CC6H12+CH3 = IC6H11+CH4 1.000E+12 0.00 7.300E+03
REV/ 1.807E+14 -0.06 3.003E+04 /
DC6H12+CH3 = IC6H11+CH4 1.000E+12 0.00 7.300E+03
REV/ 8.476E+13 0.11 3.263E+04 /
!
CC6H12+O = IC6H11 + OH 2.304E+11 0.06 9.745E+03
REV/ 7.000E+11 0.00 2.990E+04 /
DC6H12+O = IC6H11 + OH 4.912E+11 -0.11 7.145E+03
REV/ 7.000E+11 0.00 2.990E+04 /
!
IC6H11 = C3H6+C3H5-A 2.500E+13 0.00 4.500E+04
REV/ 0.000 0.00 0.000 /
!
!
!CC6H12 + OH = IC4H9+CH3CHO 1.000E+11 0.00 -4.000E+03
!REV/ 0.000 0.00 0.000 /
!DC6H12 + OH = DC5H11+CH2O 1.000E+11 0.00 -4.000E+03
!REV/ 0.000 0.00 0.000 /
!
!CC6H12+O = IC4H9+CH3CO 1.000E+11 0.00 -1.050E+03
!REV/ 0.000 0.00 0.000 /
!DC6H12+O = DC5H11+HCO 1.000E+11 0.00 -1.050E+03
!REV/ 0.000 0.00 0.000 /
!
CC6H12 = CH3+IC5H9 1.000E+16 0.00 7.100E+04
REV/ 1.000E+13 0.00 0.000 /


!
!
!CH3CHCHO CHEMISTRY
CH3CHCHO+HO2  =  C2H5CHO + O2  7.350E+12  0.00  1.310E+03
    REV /  8.071E+13  -0.08  4.507E+04 /
  CH3CHCHO+HO2  =  CH3CHOCHO + OH  9.640E+12  0.00  0.000E+00
    REV /  1.552E+16  -0.96  2.174E+04 /
  CH3CHOCHO  =  CH3CHO+HCO  3.980E+13  0.00  9.700E+03
    REV /  4.335E+05  1.72  8.282E+03 /
!  CH3CHCHO  =  C2H3CHO+H  3.515E+15  -0.51  4.106E+04
!    REV /  6.500E+12  0.00  2.900E+03 /
!  CH3CHCHO  =  CH3CHCO+H  1.135E+16  -0.66  4.031E+04
!    REV /  5.000E+12  0.00  1.200E+03 /
!  CH3CHCHO+H2  =  C2H5CHO+H  2.160E+05  2.38  1.899E+04
!    REV /  4.309E+04  2.63  5.265E+03 /
  CH3CHCHO + O2  =  CH3CHCO+HO2  1.810E+11  0.00  1.840E+03
    REV /  2.731E+10  -0.01  1.269E+04 /
  CH3CHCHO + O2  =  C2H3CHO+HO2  2.725E+11  0.00  7.240E+03
    REV /  1.726E+11  -0.16  1.904E+04 /
  CH3CHCHO + O2  =  CH3CHO+CO + OH  3.620E+10  0.00  0.000E+00
    REV /  0.000E+00  0.00  0.000E+00 /
!
!
IC3H7COC2H3 + OH  =  IC3H6COC2H3+H2O  1.530E+08  1.53  8.775E+03
    REV /  3.039E+07  1.53  2.821E+04 /
IC3H7COC2H3 + OH  =  TC3H6COC2H3+H2O  1.684E+12  0.00 -7.810E+02
   REV /  1.073E+10  0.49  2.321E+04 /
IC3H7COC2H3 + OH  =  CH3CHO+IC3H7CO  1.530E+08  1.53  8.775E+03
    REV /  1.013E+03  2.76  2.841E+04 /
IC3H7COC2H3+HO2  =  IC3H6COC2H3+H2O2  2.740E+04  2.55  1.550E+04
    REV /  3.231E+04  2.22  3.467E+03 /
IC3H7COC2H3+HO2  =  TC3H6COC2H3+H2O2  8.000E+10  0.00  1.192E+04
    REV /  3.027E+09  0.16  4.451E+03 /
IC3H7COC2H3+HO2  =  CH2CHO+IC3H7CO + OH  6.030E+09  0.00  7.949E+03
    REV /  1.000E+00  0.00  0.000E+00 /
IC3H7COC2H3+CH3O2  =  IC3H6COC2H3+CH3O2H  2.000E+04  2.55  1.550E+04
    REV /  9.691E+04  2.04  2.747E+03 /
IC3H7COC2H3+CH3O2  =  TC3H6COC2H3+CH3O2H  3.610E+03  2.55  8.032E+03
    REV /  5.612E+02  2.53 -1.568E+02 /
IC3H7COC2H3+CH3O2  =  CH2CHO+IC3H7CO+CH3O  3.970E+11  0.00  1.705E+04
    REV /  1.000E+00  0.00  0.000E+00 /
IC3H6COC2H3  =  C3H6+C2H3CO  1.119E+17  -1.24  2.060E+04
    REV /  8.000E+10  0.00  1.060E+04 /
TC3H6COC2H3  =  IC3H6CO+C2H3  1.460E+13  -0.06  4.725E+04
    REV /  8.000E+10  0.00  1.160E+04 /


!
!
!!!!  CLASS 23 ADDITIONAL REACTIONS FOR OOH GROUP ON TERTIARY SITE !!!
!
C7OOH2-OO4-2  = C2H4 + OH +  IC5KETDB                     3.75E+10        0.00    2.400E+04 !6M,P
REV/ 0.000E+00 0.000 0.000E+00 /
!
!
C7OOH2-OO3-2  =  C3H6 + OH + IC4KETIT                   2.50E+10        0.00    2.045E+04 !6M,S
REV/ 0.000E+00 0.000 0.000E+00 /
!
!
C7OOH2-OO1-2  =  C4H8-1 + OH + C3KET21                   2.50E+10        0.00    2.045E+04 !6M,S
REV/ 0.000E+00 0.000 0.000E+00 /
!
! 
C8OOH2-OO4-2  = C3H6 + OH +  IC5KETDB                     2.50E+10        0.00    2.045E+04 !6M,S
REV/ 0.000E+00 0.000 0.000E+00 /
!C8OOH2-OO5-2  =  C2H4 + OH + IC6KETEB                     3.75E+10        0.00    2.400E+04 !6M,P
!REV/ 0.000E+00 0.000 0.000E+00 /
!
!
C8OOH2-OO3-2  =  C4H8-1 + OH + IC4KETIT                   2.50E+10        0.00    2.045E+04 !6M,S
REV/ 0.000E+00 0.000 0.000E+00 /
!
C8OOH2-OO1-2 =   C5H10-1 + OH + C3KET21                    3.125E+09   0.00    1.865E+04 !7S
REV/ 0.000E+00 0.000 0.000E+00 /
!
!
!
!
!
! 
!IC5KETDB<=>CH3COCH3+CH2CHO+OH 1.000E+16 0.000 3.900E+04
!REV/ 0.000E+00 0.000 0.000E+00 /
!IC6KETEB<=>CH3COCH3+CH2CH2CHO+OH 1.000E+16 0.000 3.900E+04
!REV/ 0.000E+00 0.000 0.000E+00 /

!
!
!
!
!
!
!
!
C6H5CH3+C6H111-3=C6H5CH2J+C6H12-1       1.00E+13    0.0     12000.0        
C6H5CH3+C6H111-4=C6H5CH2J+C6H12-1       5.00E+12    0.0     10800.0        
C6H5CH3+C6H111-5=C6H5CH2J+C6H12-1       5.00E+12    0.0     10800.0        
C6H5CH3+C6H111-6=C6H5CH2J+C6H12-1       5.00E+12    0.0      9800.0        
C6H5CHO+C6H111-3=C6H5CJO+C6H12-1        1.60E+12    0.0     11500.0
C6H5CHO+C6H111-4=C6H5CJO+C6H12-1        1.60E+12    0.0      7500.0
C6H5CHO+C6H111-5=C6H5CJO+C6H12-1        1.60E+12    0.0      7500.0
C6H5CHO+C6H111-6=C6H5CJO+C6H12-1        1.60E+12    0.0      6500.0
IC8H18 + C7H15-1 = NC7H16 + AC8H17           1.500E+11 0.00 1.340E+04  
IC8H18 + C7H15-1 = NC7H16 + BC8H17           5.000E+10 0.00 1.040E+04  
IC8H18 + C7H15-1 = NC7H16 + CC8H17           1.000E+11 0.00 7.900E+03  
IC8H18 + C7H15-1 = NC7H16 + DC8H17           1.000E+11 0.00 1.340E+04	 
IC8H18 + C7H15-2 = NC7H16 + AC8H17           1.500E+11 0.00 1.440E+04	 
IC8H18 + C7H15-2 = NC7H16 + BC8H17           5.000E+10 0.00 1.140E+04  
IC8H18 + C7H15-2 = NC7H16 + CC8H17           1.000E+11 0.00 8.900E+03  
IC8H18 +C7H15-2 = NC7H16 +DC8H17             1.000E+11 0.00 1.440E+04  
IC8H18 +C7H15-3 = NC7H16 +AC8H17             1.500E+11 0.00 1.440E+04	 
IC8H18 +C7H15-3 = NC7H16 +BC8H17             5.000E+10 0.00 1.140E+04  
IC8H18 +C7H15-3 = NC7H16 +CC8H17             1.000E+11 0.00 8.900E+03  
IC8H18 +C7H15-3 = NC7H16 +DC8H17             1.000E+11 0.00 1.440E+04  
IC8H18 +C7H15-4 = NC7H16 +AC8H17             1.500E+11 0.00 1.440E+04	 
IC8H18 +C7H15-4 = NC7H16 +BC8H17             5.000E+10 0.00 1.140E+04  
IC8H18 +C7H15-4 = NC7H16 +CC8H17             1.000E+11 0.00 8.900E+03  
IC8H18 +C7H15-4 = NC7H16 +DC8H17             1.000E+11 0.00 1.440E+04  
IC8H18 +XC7H15 = C7H16-24 + AC8H17           1.500E+11 0.00 1.340E+04  
IC8H18 +XC7H15 = C7H16-24 + BC8H17           5.000E+10 0.00 1.040E+04  
IC8H18 +XC7H15 = C7H16-24 + CC8H17           1.000E+11 0.00 7.900E+03  
IC8H18 +XC7H15 = C7H16-24 + DC8H17           1.000E+11 0.00 1.340E+04  
IC8H18 +YC7H15 = C7H16-24 + AC8H17           1.500E+11 0.00 1.440E+04  
IC8H18 +YC7H15 = C7H16-24 + BC8H17           5.000E+10 0.00 1.140E+04  
IC8H18 +YC7H15 = C7H16-24 + CC8H17           1.000E+11 0.00 8.900E+03  
IC8H18 +YC7H15 = C7H16-24 + DC8H17           1.000E+11 0.00 1.440E+04  
IC8H18 +ZC7H15 = C7H16-24 + AC8H17           1.500E+11 0.00 1.440E+04  
IC8H18 +ZC7H15 = C7H16-24 + BC8H17           5.000E+10 0.00 1.140E+04  
IC8H18 +ZC7H15 = C7H16-24 + CC8H17           1.000E+11 0.00 8.900E+03  
IC8H18 +ZC7H15 = C7H16-24 + DC8H17           1.000E+11 0.00 1.440E+04  
IC8H18 + NC7H15 = NEOC7H16 +AC8H17           1.500E+11 0.00 1.340E+04	 
IC8H18 + NC7H15 = NEOC7H16 +BC8H17           5.000E+10 0.00 1.040E+04  
IC8H18 + NC7H15 = NEOC7H16 +CC8H17           1.000E+11 0.00 7.900E+03  
IC8H18 + NC7H15 = NEOC7H16 +DC8H17           1.000E+11 0.00 1.340E+04  
IC8H18 + OC7H15 = NEOC7H16 +AC8H17           1.500E+11 0.00 1.440E+04	 
IC8H18 + OC7H15 = NEOC7H16 +BC8H17           5.000E+10 0.00 1.140E+04  
IC8H18 + OC7H15 = NEOC7H16 +CC8H17           1.000E+11 0.00 8.900E+03  
IC8H18 + OC7H15 = NEOC7H16 +DC8H17           1.000E+11 0.00 1.440E+04  
IC8H18 + PC7H15 = NEOC7H16 +AC8H17           1.500E+11 0.00 1.440E+04	 
IC8H18 + PC7H15 = NEOC7H16 +BC8H17           5.000E+10 0.00 1.140E+04  
IC8H18 + PC7H15 = NEOC7H16 +CC8H17           1.000E+11 0.00 8.900E+03  
IC8H18 + PC7H15 = NEOC7H16 +DC8H17           1.000E+11 0.00 1.440E+04  
IC8H18 + QC7H15 = NEOC7H16 +AC8H17           1.500E+11 0.00 1.440E+04	 
IC8H18 + QC7H15 = NEOC7H16 +BC8H17           5.000E+10 0.00 1.140E+04  
IC8H18 + QC7H15 = NEOC7H16 +CC8H17           1.000E+11 0.00 8.900E+03  
IC8H18 + QC7H15 = NEOC7H16 +DC8H17           1.000E+11 0.00 1.440E+04  
AC8H17O2 + NC7H16 = AC8H17O2H + C7H15-1       1.21E+13	0	20430         
AC8H17O2 + NC7H16 = AC8H17O2H + C7H15-2       8.06E+12	0	17700         
AC8H17O2 + NC7H16 = AC8H17O2H + C7H15-3       8.06E+12	0	17700         
AC8H17O2 + NC7H16 = AC8H17O2H + C7H15-4       4.03E+12	0	17700         
BC8H17O2 +NC7H16 = BC8H17O2H +C7H15-1         1.21E+13	0	20430         
BC8H17O2 +NC7H16 = BC8H17O2H +C7H15-2         8.06E+12	0	17700         
BC8H17O2 +NC7H16 = BC8H17O2H +C7H15-3         8.06E+12	0	17700         
BC8H17O2 +NC7H16 = BC8H17O2H +C7H15-4         4.03E+12	0	17700         
CC8H17O2 + NC7H16 = CC8H17O2H + C7H15-1       1.21E+13	0	20430
CC8H17O2 + NC7H16 = CC8H17O2H + C7H15-2       8.06E+12	0	17700
CC8H17O2 + NC7H16 = CC8H17O2H + C7H15-3       8.06E+12	0	17700
CC8H17O2 + NC7H16 = CC8H17O2H + C7H15-4       4.03E+12	0	17700
DC8H17O2 +NC7H16 = DC8H17O2H +C7H15-1         1.21E+13	0	20430
DC8H17O2 +NC7H16 = DC8H17O2H +C7H15-2         8.06E+12	0	17700
DC8H17O2 +NC7H16 = DC8H17O2H +C7H15-3         8.06E+12	0	17700
DC8H17O2 +NC7H16 = DC8H17O2H +C7H15-4         4.03E+12	0	17700
C7H15O2-1 + IC8H18 = AC8H17 +C7H15O2H-1       2.52E+13	0	20440
C7H15O2-2 + IC8H18 = AC8H17 +C7H15O2H-2       2.52E+13	0	20440
C7H15O2-3 + IC8H18 = AC8H17 +C7H15O2H-3       2.52E+13	0	20440
C7H15O2-4 + IC8H18 = AC8H17 +C7H15O2H-4       2.52E+13	0	20440
C7H15O2-1 + IC8H18 = BC8H17 +C7H15O2H-1       5.60E+12	0	17690
C7H15O2-2 + IC8H18 = BC8H17 +C7H15O2H-2       5.60E+12	0	17690
C7H15O2-3 + IC8H18 = BC8H17 +C7H15O2H-3       5.60E+12	0	17690
C7H15O2-4 + IC8H18 = BC8H17 +C7H15O2H-4       5.60E+12	0	17690
C7H15O2-1 + IC8H18 = CC8H17 +C7H15O2H-1       2.80E+12	0	16100
C7H15O2-2 + IC8H18 = CC8H17 +C7H15O2H-2       2.80E+12	0	16100
C7H15O2-3 + IC8H18 = CC8H17 +C7H15O2H-3       2.80E+12	0	16100
C7H15O2-4 + IC8H18 = CC8H17 +C7H15O2H-4       2.80E+12	0	16100
C7H15O2-1 + IC8H18 = DC8H17 +C7H15O2H-1       1.68E+13	0	20440
C7H15O2-2 + IC8H18 = DC8H17 +C7H15O2H-2       1.68E+13	0	20440
C7H15O2-3 + IC8H18 = DC8H17 +C7H15O2H-3       1.68E+13	0	20440
C7H15O2-4 + IC8H18 = DC8H17 +C7H15O2H-4       1.68E+13	0	20440
IC8H18 +XC7H15O2 = AC8H17+ XC7H15O2H         2.52E+13	0	20440
IC8H18 +YC7H15O2 = AC8H17+ YC7H15O2H         2.52E+13	0	20440
IC8H18 +ZC7H15O2 = AC8H17 +ZC7H15O2H         2.52E+13	0	20440
IC8H18 +XC7H15O2 = BC8H17 + XC7H15O2H        5.60E+12	0	17690
IC8H18 +YC7H15O2 = BC8H17 + YC7H15O2H        5.60E+12	0	17690
IC8H18 + ZC7H15O2 = BC8H17 +ZC7H15O2H        5.60E+12	0	17690
IC8H18 + XC7H15O2 = CC8H17 +XC7H15O2H        2.80E+12	0	16100 
IC8H18 + YC7H15O2 = CC8H17 +YC7H15O2H        2.80E+12	0	16100 
IC8H18 + ZC7H15O2 = CC8H17 + ZC7H15O2H       2.80E+12	0	16100 
IC8H18 + XC7H15O2 = DC8H17 +XC7H15O2H        1.68E+13	0	20440 
IC8H18 + YC7H15O2 = DC8H17 +YC7H15O2H        1.68E+13	0	20440
IC8H18 + ZC7H15O2 = DC8H17 +ZC7H15O2H        1.68E+13	0	20440
IC8H18 + NC7H15O2 = NC7H15O2H +AC8H17        2.52E+13	0	20440
IC8H18 + OC7H15O2 = OC7H15O2H +AC8H17        2.52E+13	0	20440
IC8H18 + PC7H15O2 = PC7H15O2H +AC8H17        2.52E+13	0	20440
IC8H18 + QC7H15O2 = QC7H15O2H +AC8H17        2.52E+13	0	20440
IC8H18 + NC7H15O2 = NC7H15O2H +BC8H17        5.60E+12	0	17690
IC8H18 + OC7H15O2 = OC7H15O2H +BC8H17        5.60E+12	0	17690
IC8H18 + PC7H15O2 = PC7H15O2H +BC8H17        5.60E+12	0	17690
IC8H18 +QC7H15O2 = QC7H15O2H + BC8H17        5.60E+12	0	17690
IC8H18 +NC7H15O2 = NC7H15O2H + CC8H17        2.80E+12	0	16100
IC8H18 +OC7H15O2 = OC7H15O2H + CC8H17        2.80E+12	0	16100
IC8H18 +PC7H15O2 = PC7H15O2H + CC8H17        2.80E+12	0	16100
IC8H18 +QC7H15O2 = QC7H15O2H + CC8H17        2.80E+12	0	16100
IC8H18 +NC7H15O2 = NC7H15O2H + DC8H17        1.68E+13	0	20440
IC8H18 +OC7H15O2 = OC7H15O2H + DC8H17        1.68E+13	0	20440
IC8H18 +PC7H15O2 = PC7H15O2H + DC8H17        1.68E+13	0	20440
IC8H18 +QC7H15O2 = QC7H15O2H + DC8H17        1.68E+13	0	20440
AC8H17O2 +C7H16-24 = AC8H17O2H + XC7H15      6.30E+13   0.0   17500.
AC8H17O2 +C7H16-24 = AC8H17O2H + YC7H15      6.30E+13   0.0   15500.
AC8H17O2 +C7H16-24 = AC8H17O2H + ZC7H15      6.30E+13   0.0   16500.
BC8H17O2 + C7H16-24 = BC8H17O2H +XC7H15      6.30E+13   0.0   17500.
BC8H17O2 + C7H16-24 = BC8H17O2H +YC7H15      6.30E+13   0.0   15500.
BC8H17O2 + C7H16-24 = BC8H17O2H +ZC7H15      6.30E+13   0.0   16500.
CC8H17O2 +C7H16-24 = CC8H17O2H + XC7H15      6.30E+13   0.0   17500.
CC8H17O2 +C7H16-24 = CC8H17O2H + YC7H15      6.30E+13   0.0   15500.
CC8H17O2 +C7H16-24 = CC8H17O2H + ZC7H15      6.30E+13   0.0   16500.
DC8H17O2 + C7H16-24 = DC8H17O2H +XC7H15      6.30E+13   0.0   17500.
DC8H17O2 + C7H16-24 = DC8H17O2H +YC7H15      6.30E+13   0.0   15500.
DC8H17O2 + C7H16-24 = DC8H17O2H +ZC7H15      6.30E+13   0.0   16500.
NEOC7H16 +AC8H17O2 = NC7H15 + AC8H17O2H      1.17E+14   0.0   17500.	 
NEOC7H16 +BC8H17O2 = NC7H15 +BC8H17O2H       1.17E+14   0.0   17500.     
NEOC7H16 +CC8H17O2 = NC7H15 + CC8H17O2H      1.17E+14   0.0   17500.     
NEOC7H16 +DC8H17O2 = NC7H15 +DC8H17O2H       1.17E+14   0.0   17500.     
NEOC7H16 +AC8H17O2 = OC7H15 + AC8H17O2H      2.60E+13   0.0   15500.
NEOC7H16 +BC8H17O2 = OC7H15 +BC8H17O2H       2.60E+13   0.0   15500.
NEOC7H16 +CC8H17O2 = OC7H15 + CC8H17O2H      2.60E+13   0.0   15500.
NEOC7H16 +DC8H17O2 = OC7H15 +DC8H17O2H       2.60E+13   0.0   15500.
NEOC7H16 +AC8H17O2 = PC7H15 + AC8H17O2H      2.60E+13   0.0   15500.
NEOC7H16 +BC8H17O2 = PC7H15 +BC8H17O2H       2.60E+13   0.0   15500.
NEOC7H16 +CC8H17O2 = PC7H15 + CC8H17O2H      2.60E+13   0.0   15500.
NEOC7H16 +DC8H17O2 = PC7H15 +DC8H17O2H       2.60E+13   0.0   15500.
NEOC7H16 +AC8H17O2 = QC7H15 + AC8H17O2H      3.90E+13   0.0   17500.
NEOC7H16 +BC8H17O2 = QC7H15 +BC8H17O2H       3.90E+13   0.0   17500.
NEOC7H16 +CC8H17O2 = QC7H15 + CC8H17O2H      3.90E+13   0.0   17500.
NEOC7H16 +DC8H17O2 = QC7H15 +DC8H17O2H       3.90E+13   0.0   17500.
C7H15-1 + C6H12-1 = NC7H16 + C6H111-3           7.000E+10 0.00 7.900E+03     
C7H15-1 + C6H12-1 = NC7H16 + C6H111-4           5.000E+10 0.00 1.040E+04     
C7H15-1 + C6H12-1 = NC7H16 + C6H111-5           5.000E+10 0.00 1.040E+04     
C7H15-1 + C6H12-1 = NC7H16 + C6H111-6           5.000E+10 0.00 1.340E+04	 
C7H15-2 + C6H12-1 = NC7H16 + C6H111-3           7.000E+10 0.00 8.900E+03	 
C7H15-2 + C6H12-1 = NC7H16 + C6H111-4           5.000E+10 0.00 1.140E+04     
C7H15-2 + C6H12-1 = NC7H16 + C6H111-5           5.000E+10 0.00 1.140E+04     
C7H15-2 + C6H12-1 = NC7H16 + C6H111-6           5.000E+10 0.00 1.440E+04     
C7H15-3 + C6H12-1 = NC7H16 + C6H111-3           7.000E+10 0.00 8.900E+03 
C7H15-3 + C6H12-1 = NC7H16 + C6H111-4           5.000E+10 0.00 1.140E+04   
C7H15-3 + C6H12-1 = NC7H16 + C6H111-5           5.000E+10 0.00 1.140E+04   
C7H15-3 + C6H12-1 = NC7H16 + C6H111-6           5.000E+10 0.00 1.440E+04   
C7H15-4 + C6H12-1 = NC7H16 + C6H111-3           7.000E+10 0.00 8.900E+03	 
C7H15-4 + C6H12-1 = NC7H16 + C6H111-4           5.000E+10 0.00 1.140E+04     
C7H15-4 + C6H12-1 = NC7H16 + C6H111-5           5.000E+10 0.00 1.140E+04     
C7H15-4 + C6H12-1 = NC7H16 + C6H111-6           5.000E+10 0.00 1.440E+04
AC8H17 + C6H12-1 = IC8H18 + C6H111-3            7.000E+10 0.00 7.900E+03
AC8H17 + C6H12-1 = IC8H18 + C6H111-4            5.000E+10 0.00 1.040E+04
AC8H17 + C6H12-1 = IC8H18 + C6H111-5            5.000E+10 0.00 1.040E+04
AC8H17 + C6H12-1 = IC8H18 + C6H111-6            5.000E+10 0.00 1.340E+04
BC8H17 + C6H12-1 = IC8H18 + C6H111-3            7.000E+10 0.00 8.900E+03
BC8H17 + C6H12-1 = IC8H18 + C6H111-4            5.000E+10 0.00 1.140E+04
BC8H17 + C6H12-1 = IC8H18 + C6H111-5            5.000E+10 0.00 1.140E+04
BC8H17 + C6H12-1 = IC8H18 + C6H111-6            5.000E+10 0.00 1.440E+04
CC8H17 + C6H12-1 = IC8H18 + C6H111-3            7.000E+10 0.00 1.190E+04     
CC8H17 + C6H12-1 = IC8H18 + C6H111-4            5.000E+10 0.00 1.440E+04     
CC8H17 + C6H12-1 = IC8H18 + C6H111-5            5.000E+10 0.00 1.440E+04     
CC8H17 + C6H12-1 = IC8H18 + C6H111-6            5.000E+10 0.00 1.740E+04     
DC8H17 + C6H12-1 = IC8H18 + C6H111-3            7.000E+10 0.00 7.900E+03
DC8H17 + C6H12-1 = IC8H18 + C6H111-4            5.000E+10 0.00 1.040E+04
DC8H17 + C6H12-1 = IC8H18 + C6H111-5            5.000E+10 0.00 1.040E+04
DC8H17 + C6H12-1 = IC8H18 + C6H111-6            5.000E+10 0.00 1.340E+04
AC8H17O2 + C6H12-1 = AC8H17O2H + C6H111-6       6.05E+12	0	20430      
AC8H17O2 + C6H12-1 = AC8H17O2H + C6H111-4       4.03E+12	0	17700      
AC8H17O2 + C6H12-1 = AC8H17O2H + C6H111-5       4.03E+12	0	17700      
AC8H17O2 + C6H12-1 = AC8H17O2H + C6H111-3       2.01E+12	0	13700      
BC8H17O2 + C6H12-1 = BC8H17O2H + C6H111-6       6.05E+12	0	20430      
BC8H17O2 + C6H12-1 = BC8H17O2H + C6H111-4       4.03E+12	0	17700      
BC8H17O2 + C6H12-1 = BC8H17O2H + C6H111-5       4.03E+12	0	17700      
BC8H17O2 + C6H12-1 = BC8H17O2H + C6H111-3       2.01E+12	0	13700      
CC8H17O2 + C6H12-1 = CC8H17O2H + C6H111-6       6.05E+12	0	20430      
CC8H17O2 + C6H12-1 = CC8H17O2H + C6H111-4       4.03E+12	0	17700      
CC8H17O2 + C6H12-1 = CC8H17O2H + C6H111-5       4.03E+12	0	17700      
CC8H17O2 + C6H12-1 = CC8H17O2H + C6H111-3       2.01E+12	0	13700      
DC8H17O2 + C6H12-1 = DC8H17O2H + C6H111-6       6.05E+12	0	20430      
DC8H17O2 + C6H12-1 = DC8H17O2H + C6H111-4       4.03E+12	0	17700      
DC8H17O2 + C6H12-1 = DC8H17O2H + C6H111-5       4.03E+12	0	17700      
DC8H17O2 + C6H12-1 = DC8H17O2H + C6H111-3       2.01E+12	0	13700      
C7H15O2-1 + C6H12-1 = C6H111-6 +C7H15O2H-1      6.05E+12	0	20430      
C7H15O2-1 + C6H12-1 = C6H111-4 +C7H15O2H-2      4.03E+12	0	17700      
C7H15O2-1 + C6H12-1 = C6H111-5 +C7H15O2H-3      4.03E+12	0	17700      
C7H15O2-1 + C6H12-1 = C6H111-3 +C7H15O2H-4      2.01E+12	0	13700      
C7H15O2-2 + C6H12-1 = C6H111-6 +C7H15O2H-1      6.05E+12	0	20430      
C7H15O2-2 + C6H12-1 = C6H111-4 +C7H15O2H-2      4.03E+12	0	17700      
C7H15O2-2 + C6H12-1 = C6H111-5 +C7H15O2H-3      4.03E+12	0	17700      
C7H15O2-2 + C6H12-1 = C6H111-3 +C7H15O2H-4      2.01E+12	0	13700      
C7H15O2-3 + C6H12-1 = C6H111-6 +C7H15O2H-1      6.05E+12	0	20430      
C7H15O2-3 + C6H12-1 = C6H111-4 +C7H15O2H-2      4.03E+12	0	17700      
C7H15O2-3 + C6H12-1 = C6H111-5 +C7H15O2H-3      4.03E+12	0	17700      
C7H15O2-3 + C6H12-1 = C6H111-3 +C7H15O2H-4      2.01E+12	0	13700      
C7H15O2-4 + C6H12-1 = C6H111-6 +C7H15O2H-1      6.05E+12	0	20430      
C7H15O2-4 + C6H12-1 = C6H111-4 +C7H15O2H-2      4.03E+12	0	17700      
C7H15O2-4 + C6H12-1 = C6H111-5 +C7H15O2H-3      4.03E+12	0	17700      
C7H15O2-4 + C6H12-1 = C6H111-3 +C7H15O2H-4      2.01E+12	0	13700  
    
C7H15-1 + C6H5CH3 = NC7H16 + C6H5CH2J           7.000E+12 0.00 7.900E+03     
C7H15-2 + C6H5CH3 = NC7H16 + C6H5CH2J           7.000E+12 0.00 8.900E+03
C7H15-3 + C6H5CH3 = NC7H16 + C6H5CH2J           7.000E+12 0.00 8.900E+03
C7H15-4 + C6H5CH3 = NC7H16 + C6H5CH2J           7.000E+12 0.00 8.900E+03
!
C5H11-1 + C6H5CH3 = NC5H12 + C6H5CH2J           7.000E+12 0.00 7.900E+03     
C5H11-2 + C6H5CH3 = NC5H12 + C6H5CH2J           7.000E+12 0.00 8.900E+03
C5H11-3 + C6H5CH3 = NC5H12 + C6H5CH2J           7.000E+12 0.00 8.900E+03
!
AC5H11 + C6H5CH3 = IC5H12 + C6H5CH2J            7.000E+12 0.00 7.900E+03
CC5H11 + C6H5CH3 = IC5H12 + C6H5CH2J            7.000E+12 0.00 8.900E+03
BC5H11 + C6H5CH3 = IC5H12 + C6H5CH2J            7.000E+12 0.00 1.190E+04     
DC5H11 + C6H5CH3 = IC5H12 + C6H5CH2J            7.000E+12 0.00 7.900E+03
!
!
IC8H18 + C5H11-1 = NC5H12 + AC8H17           1.500E+11 0.00 1.340E+04  
IC8H18 + C5H11-1 = NC5H12 + BC8H17           5.000E+10 0.00 1.040E+04  
IC8H18 + C5H11-1 = NC5H12 + CC8H17           1.000E+11 0.00 7.900E+03  
IC8H18 + C5H11-1 = NC5H12 + DC8H17           1.000E+11 0.00 1.340E+04	 
IC8H18 + C5H11-2 = NC5H12 + AC8H17           1.500E+11 0.00 1.440E+04	 
IC8H18 + C5H11-2 = NC5H12 + BC8H17           5.000E+10 0.00 1.140E+04  
IC8H18 + C5H11-2 = NC5H12 + CC8H17           1.000E+11 0.00 8.900E+03  
IC8H18 + C5H11-2 = NC5H12 +DC8H17            1.000E+11 0.00 1.440E+04  
IC8H18 + C5H11-3 = NC5H12 +AC8H17            1.500E+11 0.00 1.440E+04	 
IC8H18 + C5H11-3 = NC5H12 +BC8H17            5.000E+10 0.00 1.140E+04  
IC8H18 + C5H11-3 = NC5H12 +CC8H17            1.000E+11 0.00 8.900E+03  
IC8H18 + C5H11-3 = NC5H12 +DC8H17            1.000E+11 0.00 1.440E+04  
!
!
C7H15-1 + C2H5OH = NC7H16 + PC2H4OH           5.000E+10 0.00 1.340E+04     
C7H15-2 + C2H5OH = NC7H16 + PC2H4OH           5.000E+10 0.00 1.440E+04	 
C7H15-3 + C2H5OH = NC7H16 + PC2H4OH           5.000E+10 0.00 1.440E+04 
C7H15-4 + C2H5OH = NC7H16 + PC2H4OH           5.000E+10 0.00 1.440E+04	

C7H15-1 + C2H5OH = NC7H16 + SC2H4OH           7.000E+10 0.00 7.900E+03 
C7H15-2 + C2H5OH = NC7H16 + SC2H4OH           7.000E+10 0.00 8.900E+03	 
C7H15-3 + C2H5OH = NC7H16 + SC2H4OH           7.000E+10 0.00 8.900E+03 
C7H15-4 + C2H5OH = NC7H16 + SC2H4OH           7.000E+10 0.00 8.900E+03	


AC8H17 + C2H5OH = IC8H18 + SC2H4OH            7.000E+12 0.00 7.900E+03
BC8H17 + C2H5OH = IC8H18 + SC2H4OH            7.000E+12 0.00 8.900E+03
CC8H17 + C2H5OH = IC8H18 + SC2H4OH            7.000E+12 0.00 1.190E+04     
DC8H17 + C2H5OH = IC8H18 + SC2H4OH            7.000E+12 0.00 7.900E+03
!
!
!HMN (2,2,4,4,6,8,8-heptamethylnonane) - C16H34 fuel
!
! Class 1 - Unimolecular fuel decomposition
!
HMN <=> H + HMN-1	6.88E+18	-0.5932	101202.487!A*2
HMN <=> H + HMN-2	1.33E+21	-1.2095	98275.111!A*2
HMN <=> H + HMN-3	2.09E+18	-0.4334	101635.317!A*2
HMN <=> H + HMN-4	2.43E+20	-0.934	98064.313!A*2
HMN <=> H + HMN-5	1.67E+24	-2.3447	95727.406!A*2
HMN <=> H + HMN-6	1.80E+18	-0.4378	101135.622!A*2
HMN <=> H + HMN-7	3.03E+20	-0.9289	98354.612!A*2
HMN <=> H + HMN-8	2.92E+17	-0.1071	101996.719!A*2
HMN <=> CH3 + AC15H31	3.84E+43	-7.7237	93614.117!A*2
HMN <=> CH3 + BC15H31	2.19E+43	-7.7049	92784.045!A*2
HMN <=> CH3 + CC15H31	2.18E+41	-7.1748	93891.771!A*2
HMN <=> CH3 + DC15H31	3.84E+43	-7.7237	93614.117!A*2
HMN <=> AC12H25 + TC4H9   	2.72E+39	-6.0997	87105.219!A*2
HMN <=> TC4H9 + FC12H25   	2.28E+39	-6.0771	87878.238!A*2
HMN <=> CC8H17 + DC8H17   	5.76E+40	-6.6851	89366.785!A*2
HMN <=> PC7H15 + CC9H19   	2.29E+42	-7.5515	89020.915!A*2
HMN <=> NEOC5H11 + SC11H23	9.12E+37	-6.0554	89227.738!A*2
HMN <=> NEOC5H11 + AC11H23	2.49E+39	-6.5959	87337.565!A/2
!
! Class 2 - H-atom abstraction
!
!
!
HMN + OH  =  HMN-1 + H2O	4.920E+07	1.763E+00	7.430E+02
HMN + OH  =  HMN-2 + H2O	3.410E+05	1.61	-996
HMN + OH  =  HMN-3 + H2O	3.280E+07	1.763E+00	7.430E+02
HMN + OH  =  HMN-4 + H2O     5.620E+11  0.32 846.5 
HMN + OH  =  HMN-5 + H2O     6.320E+07  1.38  -1146.5     
HMN + OH  =  HMN-6 + H2O	1.675E+06	2.078E+00	3.756E+02
HMN + OH  =  HMN-7 + H2O     36.138	 3.5    -2334.725
HMN + OH  =  HMN-8 + H2O	4.920E+07	1.763E+00	7.430E+02
!
!
HMN + HO2  =  HMN-1 + H2O2	9.180E+01	3.590E+00	1.716E+04
HMN + HO2  =  HMN-2 + H2O2	1.896E+02	3.370E+00	1.372E+04
HMN + HO2  =  HMN-3 + H2O2	6.120E+01	3.590E+00	1.716E+04
HMN + HO2  =  HMN-4 + H2O2	1.896E+02	3.370E+00	1.372E+04
HMN + HO2  =  HMN-5 + H2O2	1.922E+03	3.010E+00	1.209E+04
HMN + HO2  =  HMN-6 + H2O2	3.060E+01	3.590E+00	1.716E+04
HMN + HO2  =  HMN-7 + H2O2	1.896E+02	3.370E+00	1.372E+04
HMN + HO2  =  HMN-8 + H2O2	9.180E+01	3.590E+00	1.716E+04
!
!
!
HMN + H  =  HMN-1 + H2	7.34E+05	2.77	8.15E+03
HMN + H  =  HMN-2 + H2	1.30E+06	2.40	4.47E+03
HMN + H  =  HMN-3 + H2	1.88E+05	2.75	6.28E+03
HMN + H  =  HMN-4 + H2	1.30E+06	2.40	4.47E+03
HMN + H  =  HMN-5 + H2	6.02E+05	2.40	2.58E+03
HMN + H  =  HMN-6 + H2	9.40E+04	2.75	6.28E+03
HMN + H  =  HMN-7 + H2	1.30E+06	2.40	4.47E+03
HMN + H  =  HMN-8 + H2	7.34E+05	2.77	8.15E+03
!
HMN + O  =  HMN-1 + OH	8.55E+03	3.05	3.12E+03
HMN + O  =  HMN-2 + OH	4.77E+04	2.71	2.11E+03
HMN + O  =  HMN-3 + OH	1.93E+05	2.68	3.72E+03
HMN + O  =  HMN-4 + OH	4.77E+04	2.71	2.11E+03
HMN + O  =  HMN-5 + OH	3.97E+05	2.40	1.15E+03
HMN + O  =  HMN-6 + OH	9.65E+04	2.68	3.72E+03
HMN + O  =  HMN-7 + OH	4.77E+04	2.71	2.11E+03
HMN + O  =  HMN-8 + OH	8.55E+03	3.05	3.12E+03
!
HMN + O2  =  HMN-1 + HO2	3.71E+13	0	4.90E+04
HMN + O2  =  HMN-2 + HO2	2.00E+13	0	5.02E+04
HMN + O2  =  HMN-3 + HO2	6.00E+13	0	5.28E+04
HMN + O2  =  HMN-4 + HO2	2.00E+13	0	5.02E+04
HMN + O2  =  HMN-5 + HO2	7.00E+12	0	4.80E+04
HMN + O2  =  HMN-6 + HO2	3.00E+13	0	5.28E+04
HMN + O2  =  HMN-7 + HO2	2.00E+13	0	5.02E+04
HMN + O2  =  HMN-8 + HO2	3.71E+13	0	4.90E+04
!
HMN + CH3  =  HMN-1 + CH4     2.55  3.65  7.25E+03
HMN + CH3  =  HMN-2 + CH4     3.71  3.46   6.01E+03
HMN + CH3  =  HMN-3 + CH4     1.69  3.65  7.25E+03
HMN + CH3  =  HMN-4 + CH4     3.71  3.46   6.01E+03
HMN + CH3  =  HMN-5 + CH4     6.010E-10  6.36  8.930E+02
HMN + CH3  =  HMN-6 + CH4     0.85  3.65  7.25E+03
HMN + CH3  =  HMN-7 + CH4     3.71  3.46   6.01E+03
HMN + CH3  =  HMN-8 + CH4     2.55  3.65  7.25E+03
!
HMN + CH3O2  =  HMN-1 + CH3O2H  4.158   3.97   18280
HMN + CH3O2  =  HMN-2 + CH3O2H  20.36  3.58   14180
HMN + CH3O2  =  HMN-3 + CH3O2H  2.772   3.97   18280
HMN + CH3O2  =  HMN-4 + CH3O2H  20.36  3.58   14180
HMN + CH3O2  =  HMN-5 + CH3O2H  206   3.12   13190
HMN + CH3O2  =  HMN-6 + CH3O2H  2.772   3.97   18280
HMN + CH3O2  =  HMN-7 + CH3O2H  20.36  3.58   14180
HMN + CH3O2  =  HMN-8 + CH3O2H  4.158   3.97   18280
!
HMN + CH3O  =  HMN-1 + CH3OH	4.80E+11	0	7.00E+03
HMN + CH3O  =  HMN-2 + CH3OH	1.10E+11	0	5.00E+03
HMN + CH3O  =  HMN-3 + CH3OH	3.16E+11	0	7.00E+03
HMN + CH3O  =  HMN-4 + CH3OH	1.10E+11	0	5.00E+03
HMN + CH3O  =  HMN-5 + CH3OH	1.90E+10	0	2.80E+03
HMN + CH3O  =  HMN-6 + CH3OH	1.58E+11	0	7.00E+03
HMN + CH3O  =  HMN-7 + CH3OH	1.10E+11	0	5.00E+03
HMN + CH3O  =  HMN-8 + CH3OH	4.80E+11	0	7.00E+03
!
HMN + C2H3  =  HMN-1 + C2H4	1.50E+12	0	1.80E+04
HMN + C2H3  =  HMN-2 + C2H4	4.00E+11	0	1.68E+04
HMN + C2H3  =  HMN-3 + C2H4	1.00E+12	0	1.80E+04
HMN + C2H3  =  HMN-4 + C2H4	4.00E+11	0	1.68E+04
HMN + C2H3  =  HMN-5 + C2H4	2.00E+11	0	1.43E+04
HMN + C2H3  =  HMN-6 + C2H4	5.00E+11	0	1.80E+04
HMN + C2H3  =  HMN-7 + C2H4	4.00E+11	0	1.68E+04
HMN + C2H3  =  HMN-8 + C2H4	1.50E+12	0	1.80E+04
!
HMN + C2H5  =  HMN-1 + C2H6	1.50E+11	0	1.34E+04
HMN + C2H5  =  HMN-2 + C2H6	5.00E+10	0	1.04E+04
HMN + C2H5  =  HMN-3 + C2H6	1.00E+11	0	1.34E+04
HMN + C2H5  =  HMN-4 + C2H6	5.00E+10	0	1.04E+04
HMN + C2H5  =  HMN-5 + C2H6	1.00E+11	0	7.90E+03
HMN + C2H5  =  HMN-6 + C2H6	5.00E+10	0	1.34E+04
HMN + C2H5  =  HMN-7 + C2H6	5.00E+10	0	1.04E+04
HMN + C2H5  =  HMN-8 + C2H6	1.50E+11	0	1.34E+04

!Class 3 - ALkyl radical decomposition
!
HMN-1=IC4H8+AC12H25                 3.1240E+31 -5.38560     29667.71
PLOG/      0.1000     1.1071E+52  -12.4200  34919.0000/
PLOG/      1.0000     6.2210E+56  -13.4000  39630.0000/
PLOG/     10.0000     1.0973E+51  -11.3600  38739.0000/
PLOG/     50.0000     2.6354E+42   -8.6900  35053.0000/
PLOG/    100.0000     1.0973E+39   -7.6700  33456.0000/
PLOG/    500.0000     1.4499E+34   -6.2000  31055.0000/
HMN-1=CH3+AC15H30                   2.4050E+36 -6.87130     37654.23
PLOG/      0.1000     5.6528E+59  -14.3900  45604.0000/
PLOG/      1.0000     1.5969E+55  -12.6900  45730.0000/
PLOG/     10.0000     1.0581E+45   -9.5000  41802.0000/
PLOG/     50.0000     6.3680E+39   -7.9200  39383.0000/
PLOG/    100.0000     3.9482E+38   -7.5500  38796.0000/
PLOG/    500.0000     2.5080E+37   -7.2000  38205.0000/
HMN-2=CH3+BC15H30                   3.2740E+34 -6.64290     37171.13
PLOG/      0.1000     1.2313E+52  -12.0700  44606.0000/
PLOG/      1.0000     9.6682E+41   -8.9100  40663.0000/
PLOG/     10.0000     1.0000E+36   -7.1000  37848.0000/
PLOG/     50.0000     9.0686E+34   -6.7900  37332.0000/
PLOG/    100.0000     6.4990E+34   -6.7500  37260.0000/
PLOG/    500.0000     4.9465E+34   -6.7100  37201.0000/
HMN-2=CH3+CC15H30                   8.3110E+33 -6.58240     37266.94
PLOG/      0.1000     5.2677E+47  -10.8000  43454.0000/
PLOG/      1.0000     1.4561E+38   -7.8700  39283.0000/
PLOG/     10.0000     4.3148E+34   -6.8100  37564.0000/
PLOG/     50.0000     1.5418E+34   -6.6800  37340.0000/
PLOG/    100.0000     1.3383E+34   -6.6600  37311.0000/
PLOG/    500.0000     1.1992E+34   -6.6500  37287.0000/
HMN-2=IC8H16+DC8H17                 4.5470E+33 -6.56550     35731.89
PLOG/      0.1000     1.9486E+46  -10.4400  41340.0000/
PLOG/      1.0000     2.6124E+37   -7.7100  37494.0000/
PLOG/     10.0000     1.9700E+34   -6.7700  35988.0000/
PLOG/     50.0000     8.0943E+33   -6.6600  35797.0000/
PLOG/    100.0000     7.2056E+33   -6.6400  35772.0000/
PLOG/    500.0000     6.5632E+33   -6.6300  35751.0000/
HMN-3=JC8H16+DC8H17                 8.5340E+31 -5.68930     30020.15
PLOG/      0.1000     4.4576E+55  -13.4100  38296.0000/
PLOG/      1.0000     2.3415E+54  -12.6500  39822.0000/
PLOG/     10.0000     4.6339E+43   -9.2600  35701.0000/
PLOG/     50.0000     3.6738E+36   -7.1000  32345.0000/
PLOG/    100.0000     5.3785E+34   -6.5500  31438.0000/
PLOG/    500.0000     6.3876E+32   -5.9700  30469.0000/
HMN-3=NEOC5H11+AC11H22              5.9990E+32 -5.88670     30915.31
PLOG/      0.1000     5.5451E+55  -13.4300  38479.0000/
PLOG/      1.0000     2.8411E+55  -12.9500  40578.0000/
PLOG/     10.0000     3.6053E+45   -9.7800  37019.0000/
PLOG/     50.0000     1.5283E+38   -7.5300  33606.0000/
PLOG/    100.0000     1.2834E+36   -6.9100  32591.0000/
PLOG/    500.0000     6.3288E+33   -6.2200  31439.0000/
HMN-3=CH3+DC15H30                   2.4940E+36 -6.99860     37352.58
PLOG/      0.1000     1.7536E+58  -13.9300  45490.0000/
PLOG/      1.0000     7.2987E+50  -11.4500  43757.0000/
PLOG/     10.0000     2.6060E+41   -8.5300  39777.0000/
PLOG/     50.0000     1.0679E+38   -7.5100  38165.0000/
PLOG/    100.0000     2.5276E+37   -7.3200  37859.0000/
PLOG/    500.0000     6.9656E+36   -7.1600  37583.0000/
HMN-4=NEOC5H11+BC11H22              9.3990E+30 -5.54550     35051.82
PLOG/      0.1000     4.3041E+54  -12.8100  45331.0000/
PLOG/      1.0000     1.0129E+42   -8.8800  40327.0000/
PLOG/     10.0000     6.8095E+32   -6.1200  35907.0000/
PLOG/     50.0000     9.4969E+30   -5.5700  34964.0000/
PLOG/    100.0000     5.1285E+30   -5.4900  34827.0000/
PLOG/    500.0000     3.0835E+30   -5.4200  34713.0000/
HMN-4=NEOC5H11+CC11H22              5.3680E+29 -5.23040     33104.81
PLOG/      0.1000     6.8202E+53  -12.6200  43681.0000/
PLOG/      1.0000     7.5911E+40   -8.6000  38466.0000/
PLOG/     10.0000     3.5868E+31   -5.8000  33944.0000/
PLOG/     50.0000     5.2784E+29   -5.2500  33011.0000/
PLOG/    100.0000     2.8908E+29   -5.1700  32877.0000/
PLOG/    500.0000     1.7559E+29   -5.1100  32765.0000/
HMN-4=CH3+EC15H30                   4.4990E+34 -6.67590     36712.20
PLOG/      0.1000     1.5311E+52  -12.1200  43945.0000/
PLOG/      1.0000     1.4882E+42   -8.9700  40143.0000/
PLOG/     10.0000     4.8930E+35   -7.0100  37124.0000/
PLOG/     50.0000     2.9229E+34   -6.6400  36520.0000/
PLOG/    100.0000     1.9593E+34   -6.5900  36434.0000/
PLOG/    500.0000     1.4133E+34   -6.5500  36363.0000/
HMN-4=CH3+FC15H30                   8.1500E+32 -6.26160     38655.45
PLOG/      0.1000     6.2956E+45  -10.1800  44592.0000/
PLOG/      1.0000     7.9979E+35   -7.1800  40058.0000/
PLOG/     10.0000     6.6489E+32   -6.2600  38518.0000/
PLOG/     50.0000     2.9015E+32   -6.1500  38335.0000/
PLOG/    100.0000     2.6124E+32   -6.1400  38311.0000/
PLOG/    500.0000     2.3983E+32   -6.1300  38292.0000/
HMN-4=H+AC16H32                     2.9740E+27 -4.78370     38595.71
PLOG/      0.1000     2.5696E+34   -6.8600  42126.0000/
PLOG/      1.0000     1.0107E+28   -4.9600  38796.0000/
PLOG/     10.0000     1.1135E+27   -4.6800  38288.0000/
PLOG/     50.0000     9.0151E+26   -4.6500  38240.0000/
PLOG/    100.0000     8.7903E+26   -4.6500  38234.0000/
PLOG/    500.0000     8.6082E+26   -4.6500  38229.0000/
HMN-5=H+AC16H32                     4.3220E+23 -3.37290     40932.62
PLOG/      0.1000     1.6500E+39   -7.9900  49168.0000/
PLOG/      1.0000     4.8900E+26   -4.2900  42578.0000/
PLOG/     10.0000     1.5700E+24   -3.5600  41231.0000/
PLOG/     50.0000     8.8400E+23   -3.4900  41095.0000/
PLOG/    100.0000     8.2200E+23   -3.4800  41078.0000/
PLOG/    500.0000     7.7500E+23   -3.4700  41064.0000/
HMN-5=H+BC16H32                     2.2580E+23 -3.20580     44397.28
PLOG/      0.1000     1.9900E+36   -7.0400  51328.0000/
PLOG/      1.0000     4.8400E+25   -3.9100  45660.0000/
PLOG/     10.0000     6.7200E+23   -3.3700  44649.0000/
PLOG/     50.0000     4.4300E+23   -3.3200  44551.0000/
PLOG/    100.0000     4.2100E+23   -3.3100  44538.0000/
PLOG/    500.0000     4.0300E+23   -3.3000  44528.0000/
HMN-5=H+CC16H32                     4.3220E+23 -3.37290     46232.62
PLOG/      0.1000     7.1600E+29   -5.2200  49594.0000/
PLOG/      1.0000     4.4200E+24   -3.6900  46777.0000/
PLOG/     10.0000     9.1600E+23   -3.4900  46404.0000/
PLOG/     50.0000     7.9200E+23   -3.4700  46370.0000/
PLOG/    100.0000     7.7800E+23   -3.4700  46365.0000/
PLOG/    500.0000     7.6700E+23   -3.4700  46362.0000/
HMN-5=TC4H9+AC12H24                 9.3360E+25 -3.90510     32976.57
PLOG/      0.1000     6.7469E+60  -14.6700  47987.0000/
PLOG/      1.0000     5.5750E+48  -10.8000  44135.0000/
PLOG/     10.0000     9.6384E+32   -6.0500  36682.0000/
PLOG/     50.0000     7.6968E+27   -4.5400  34062.0000/
PLOG/    100.0000     1.0332E+27   -4.2800  33606.0000/
PLOG/    500.0000     1.8098E+26   -4.0600  33209.0000/
HMN-5=CC8H17+JC8H16                 1.1060E+27 -4.19140     30714.35
PLOG/      0.1000     1.7890E+56  -13.6400  40579.0000/
PLOG/      1.0000     3.3908E+56  -13.2900  43706.0000/
PLOG/     10.0000     4.9579E+43   -9.2500  38948.0000/
PLOG/     50.0000     7.9049E+33   -6.3000  34287.0000/
PLOG/    100.0000     1.3729E+31   -5.4800  32900.0000/
PLOG/    500.0000     1.2204E+28   -4.5700  31337.0000/
HMN-6=NEOC5H11+DC11H22              1.0340E+31 -5.53210     31874.46
PLOG/      0.1000     4.7319E+56  -13.5600  42341.0000/
PLOG/      1.0000     1.5381E+48  -10.7600  39968.0000/
PLOG/     10.0000     3.0958E+36   -7.1900  34640.0000/
PLOG/     50.0000     5.1042E+32   -6.0600  32759.0000/
PLOG/    100.0000     1.1462E+32   -5.8700  32430.0000/
PLOG/    500.0000     3.1252E+31   -5.7000  32143.0000/
HMN-6=PC7H14+CC9H19                 1.0980E+36 -7.02850     31684.94
PLOG/      0.1000     2.2827E+51  -12.1400  36638.0000/
PLOG/      1.0000     8.2196E+48  -11.0800  37243.0000/
PLOG/     10.0000     2.1553E+41   -8.6600  34252.0000/
PLOG/     50.0000     8.0139E+37   -7.6100  32635.0000/
PLOG/    100.0000     1.5969E+37   -7.4000  32291.0000/
PLOG/    500.0000     3.5563E+36   -7.2100  31967.0000/
HMN-6=H+BC16H32                     2.0940E+29 -5.11280     38989.07
PLOG/      0.1000     5.3100E+47  -10.6300  48148.0000/
PLOG/      1.0000     2.0000E+34   -6.6100  41601.0000/
PLOG/     10.0000     1.7700E+30   -5.4100  39492.0000/
PLOG/     50.0000     6.0500E+29   -5.2700  39246.0000/
PLOG/    100.0000     5.2700E+29   -5.2500  39214.0000/
PLOG/    500.0000     4.7200E+29   -5.2400  39188.0000/
HMN-7=CH3+GC15H30                   6.5340E+32 -6.26680     38365.15
PLOG/      0.1000     9.0579E+44   -9.9500  43908.0000/
PLOG/      1.0000     2.2912E+35   -7.0500  39428.0000/
PLOG/     10.0000     4.2720E+32   -6.2400  38056.0000/
PLOG/     50.0000     2.1092E+32   -6.1500  37899.0000/
PLOG/    100.0000     1.9272E+32   -6.1400  37879.0000/
PLOG/    500.0000     1.7987E+32   -6.1300  37863.0000/
HMN-7=CH3+HC15H30                   1.4200E+35 -6.74180     37130.23
PLOG/      0.1000     1.5097E+54  -12.7000  44509.0000/
PLOG/      1.0000     8.4690E+44   -9.7400  41401.0000/
PLOG/     10.0000     1.1242E+37   -7.3400  37837.0000/
PLOG/     50.0000     1.4882E+35   -6.7800  36917.0000/
PLOG/    100.0000     7.6875E+34   -6.6900  36775.0000/
PLOG/    500.0000     4.4112E+34   -6.6200  36655.0000/
HMN-7=CC9H19+OC7H14                 1.1870E+34 -6.69590     32594.04
PLOG/      0.1000     9.4005E+47  -11.0400  38340.0000/
PLOG/      1.0000     1.5632E+39   -8.2800  34808.0000/
PLOG/     10.0000     2.8694E+34   -6.8400  32560.0000/
PLOG/     50.0000     5.1392E+33   -6.6200  32190.0000/
PLOG/    100.0000     4.0579E+33   -6.5900  32140.0000/
PLOG/    500.0000     3.3619E+33   -6.5600  32098.0000/
HMN-7=H+CC16H32                     2.3840E+25 -4.78880     43605.42
PLOG/      0.1000     6.3500E+24   -4.6600  43112.0000/
PLOG/      1.0000     6.0400E+24   -4.6500  43101.0000/
PLOG/     10.0000     6.0100E+24   -4.6500  43100.0000/
PLOG/     50.0000     6.0000E+24   -4.6500  43099.0000/
PLOG/    100.0000     6.0000E+24   -4.6500  43099.0000/
PLOG/    500.0000     6.0000E+24   -4.6500  43099.0000/
HMN-8=IC4H8+FC12H25                 1.0920E+33 -5.92600     29727.94
PLOG/      0.1000     2.0965E+53  -12.7900  35658.0000/
PLOG/      1.0000     1.4206E+56  -13.2200  39190.0000/
PLOG/     10.0000     6.1623E+48  -10.7500  37111.0000/
PLOG/     50.0000     5.9663E+40   -8.2800  33521.0000/
PLOG/    100.0000     1.1168E+38   -7.4500  32206.0000/
PLOG/    500.0000     3.5759E+34   -6.4100  30473.0000/
HMN-8=CH3+IC15H30                   5.6670E+37 -7.35740     36959.00
PLOG/      0.1000     1.4401E+58  -13.9700  43830.0000/
PLOG/      1.0000     1.8124E+53  -12.1800  43484.0000/
PLOG/     10.0000     1.2442E+44   -9.3100  39897.0000/
PLOG/     50.0000     9.2581E+39   -8.0500  38008.0000/
PLOG/    100.0000     1.2148E+39   -7.7800  37589.0000/
PLOG/    500.0000     1.7634E+38   -7.5300  37183.0000/
!
!
!Class 4 - R + O2  =  Q + HO2
!
HMN-7 + O2 = CC16H32 + HO2   3.00E-09  0.00  3000.
HMN-6 + O2 = CC16H32 + HO2   3.00E-09  0.00  3000.
HMN-6 + O2 = BC16H32 + HO2   3.00E-09  0.00  3000.
HMN-6 + O2 = AC16H32 + HO2   3.00E-09  0.00  3000.
HMN-5 + O2 = BC16H32 + HO2   3.00E-09  0.00  3000.
HMN-4 + O2 = AC16H32 + HO2   3.00E-09  0.00  3000.

!
!Class 5 - Alkyl radical isomerization
!
!   INCLUDE 3, 4, 5, 6 AND 7 MEMBERED TRANSITION STATE RINGS
!
HMN-1  =  HMN-2     1.386E+09  0.98  3.376E+04   ! 4S
    REV /  1.323E+08  1.38  3.628E+04 /            ! 4P * 3
!
HMN-1  =  HMN-3    2.72E+10  -0.66  1.428E+04    ! 6P * 2
    REV /  4.08E+10  -0.66  1.428E+04 /            ! 6P * 3
!
HMN-1  =  HMN-4    4.28E+11  -1.05  11760.       ! 6S
    REV /  4.08E+10  -0.66  1.428E+04 /            ! 6P * 3
!
HMN-1  =  HMN-5    1.000E+11  0.  8500.          ! 7T
    REV /  3.000E+11 0.00 21100.  /                ! 7P
!
HMN-2  =  HMN-3    8.802E+07  1.38  3.628E+04    ! 4P * 2
    REV /  1.386E+09  0.98  3.376E+04  /           ! 4S
!
HMN-2  =  HMN-4    1.760E+09  0.76  3.470E+04    ! 4S
    REV /  1.76E+09   0.76  3.47E+04 /             ! 4S
!
HMN-2  =  HMN-5    1.00E+11  0.00   16100.       ! 5T
    REV /  2.541E+09  0.35  19760.   /             ! 5S
!
HMN-2  =  HMN-6    1.36E+10  -0.66  1.428E+04    ! 6P
    REV /  4.28E+11  -1.05  11760. /               ! 6S
!
HMN-2  =  HMN-7    4.28E+11  -1.05  11760.       ! 6S
    REV /  4.28E+11  -1.05  11760.  /              ! 6S
!
HMN-3  =  HMN-4    1.386E+09   0.98  33760.      ! 4S
    REV /  8.802E+07  1.38  3.628E+04 /            ! 4P * 2
!
HMN-3  =  HMN-5    1.000E+11  0.00  16100.       ! 5T
    REV /  1.610E+08  0.74  22280.  /              ! 5P * 2
!
HMN-3  =  HMN-6    1.360E+10  -0.66  14280.      ! 6P
   REV /   2.72E+10  -0.66  1.428E+04 /            ! 6P * 2
!
HMN-3  =  HMN-7    4.28E+11  -1.05  11760.       ! 6S 
   REV /   2.72E+10  -0.66  1.428E+04    /         ! 6P * 2
!
HMN-4  =  HMN-5    1.000E+11  0.00  35000.       ! 3T
   REV /  5.478E+08  1.62  38760.     /            ! 3S
!
HMN-4  =  HMN-6    4.401E+07  1.38  3.628E+04    ! 4P
    REV /  1.386E+09  0.98  3.376E+04  /           ! 4S
!
HMN-4  =  HMN-7    1.760E+09  0.76  3.470E+04    ! 4S
    REV /  1.76E+09   0.76  3.47E+04 /             ! 4S
!
HMN-4  =  HMN-8    4.08E+10  -0.66  1.428E+04    ! 6P * 3
    REV /  5.000E+11  -1.25  12760.   /            ! 6S
!
HMN-5  =  HMN-6    1.743E+07  2.01  41280.       ! 3P
    REV /  1.000E+11  0.00  35000.  /              ! 3T
!
HMN-5  =  HMN-7    5.478E+08  1.62  38760.       ! 3S
    REV /  1.000E+11  0.00  35000.  /              ! 3T
!
HMN-5  =  HMN-8    2.415E+08  0.74  22280.       ! 5P * 3
    REV /  1.000E+11  0.00  16100.  /              ! 5T
!
HMN-6  =  HMN-7    1.386E+09   0.98  33760.      ! 4S
    REV /  4.401E+07  1.38  3.628E+04 /            ! 4P
!
HMN-6  =  HMN-8    4.08E+10  -0.66  14280.       ! 6P * 3
   REV /   1.36E+10  -0.66  1.428E+04 /            ! 6P
!
HMN-7  =  HMN-8  1.323E+08  1.38  3.628E+04      ! 4P * 3
    REV /  1.386E+09  0.98  3.376E+04 /            ! 4S
!

!
!Class 6 - H atom abstration from olefins
!
!
!
AC16H32+O=C16H31-1+OH	1.000E+12	0	4.000E+03
BC16H32+O=C16H31-2+OH	1.000E+12	0	4.000E+03
CC16H32+O=C16H31-3+OH	1.000E+12	0	4.000E+03
AC16H32+OH=C16H31-1+H2O	3.000E+13	0	1.230E+03
BC16H32+OH=C16H31-2+H2O	3.000E+13	0	1.230E+03
CC16H32+OH=C16H31-3+H2O	3.000E+13	0	1.230E+03
AC16H32+H=C16H31-1+H2	3.700E+13	0	3.900E+03
BC16H32+H=C16H31-2+H2	3.700E+13	0	3.900E+03
CC16H32+H=C16H31-3+H2	3.700E+13	0	3.900E+03
AC16H32+HO2=C16H31-1+H2O2	4.820E+03	2.5	1.050E+04
BC16H32+HO2=C16H31-2+H2O2	4.820E+03	2.5	1.050E+04
CC16H32+HO2=C16H31-3+H2O2	4.820E+03	2.5	1.050E+04
AC16H32+CH3=C16H31-1+CH4	1.000E+12	0	7.300E+03
BC16H32+CH3=C16H31-2+CH4	1.000E+12	0	7.300E+03
CC16H32+CH3=C16H31-3+CH4	1.000E+12	0	7.300E+03
AC16H32+O2=C16H31-1+HO2	2.200E+12	0	3.720E+04
BC16H32+O2=C16H31-2+HO2	2.200E+12	0	3.720E+04
CC16H32+O2=C16H31-3+HO2	2.200E+12	0	3.720E+04
!
!Class 7 - Addition reactions with olefins
!
AC16H32+OH = IC8H17CHO+PC7H15	1.000E+11	0	-4.000E+03
AC16H32+OH = CC9H19+NEC5COCH3	1.000E+11	0	-4.000E+03
AC16H32+O  = IC8H17CHO+OC7H14	1.000E+11	0	-1.050E+03
BC16H32+OH = CH2O+CC15H31	1.000E+11	0	-4.000E+03
BC16H32+OH = CC9H19+NEC5COCH3	1.000E+11	0	-4.000E+03
BC16H32+O  = CH2O+FC15H30	1.000E+11	0	-1.050E+03
CC16H32+OH = NEOC5H11+NC9H19COCH3	1.000E+11	0	-4.000E+03
CC16H32+OH = AC11H23+TC4H9CHO	1.000E+11	0	-4.000E+03
CC16H32+O  = DC11H22+TC4H9CHO	1.000E+11	0	-1.050E+03
!
!Class 8 - Alkenyl radical decomposition
!
C16H31-1 = IC8H15+IC8H16          2.00E+13  0.00  4.500E+04
    REV /  1.000E-11  0.00  9.600E+03 /
C16H31-2 = IC8H15+IC4H8+IC4H8     2.00E+13  0.00  4.500E+04
    REV /  1.000E-11  0.00  9.600E+03 /
C16H31-3 = NEOC5H11+IC4H7+PC7H13  2.00E+13  0.00  4.500E+04
    REV /  1.000E-11  0.00  9.600E+03 /
!
!Class 9 - Olefins decomposition
!
AC16H32  =  NEOC5H11+AC11H21   1.000E+16  0.00  7.100E+04
    REV /  1.000E+11  0.00  0.000E+00 /
BC16H32  =  CC8H17+IC8H15      1.000E+16  0.00  7.100E+04
    REV /  1.000E+11  0.00  0.000E+00 /
CC16H32  =  CC8H17+IC8H15      1.000E+16  0.00  7.100E+04
    REV /  1.000E+11  0.00  0.000E+00 /
!
!Class 10 - Retro-ene decomposition
!
AC16H32  =  AC12H24+IC4H8     3.98E+12   0.00  57629
BC16H32  =  AC12H24+IC4H8     3.98E+12   0.00  57629
!
!Class 11 - R + O2  =  ROO
!
HMN-1+O2 = HMN-1O2	5.490E+16	-1.63E+00	1.990E+02
HMN-2+O2 = HMN-2O2	2.789E+14	-8.16E-01	-5.360E+02
HMN-3+O2 = HMN-3O2	5.490E+16	-1.63E+00	1.990E+02
HMN-4+O2 = HMN-4O2	2.789E+14	-8.16E-01	-5.360E+02
HMN-5+O2 = HMN-5O2	7.802E+11	3.25E-01	-4.170E+02
HMN-6+O2 = HMN-6O2	5.490E+16	-1.63E+00	1.990E+02
HMN-7+O2 = HMN-7O2	2.789E+14	-8.16E-01	-5.360E+02
HMN-8+O2 = HMN-8O2	5.490E+16	-1.63E+00	1.990E+02
!
!Class 12 - R + RO2  =  RO + RO
!
HMN-1+HMN-1O2 = HMN-1O+HMN-1O	7.000E+12	0	-1.000E+03
HMN-1+HMN-2O2 = HMN-1O+HMN-2O	7.000E+12	0	-1.000E+03
HMN-1+HMN-3O2 = HMN-1O+HMN-3O	7.000E+12	0	-1.000E+03
HMN-1+HMN-4O2 = HMN-1O+HMN-4O	7.000E+12	0	-1.000E+03
HMN-1+HMN-5O2 = HMN-1O+HMN-5O	7.000E+12	0	-1.000E+03
HMN-1+HMN-6O2 = HMN-1O+HMN-6O	7.000E+12	0	-1.000E+03
HMN-1+HMN-7O2 = HMN-1O+HMN-7O	7.000E+12	0	-1.000E+03
HMN-1+HMN-8O2 = HMN-1O+HMN-8O	7.000E+12	0	-1.000E+03
HMN-2+HMN-1O2 = HMN-2O+HMN-1O	7.000E+12	0	-1.000E+03
HMN-2+HMN-2O2 = HMN-2O+HMN-2O	7.000E+12	0	-1.000E+03
HMN-2+HMN-3O2 = HMN-2O+HMN-3O	7.000E+12	0	-1.000E+03
HMN-2+HMN-4O2 = HMN-2O+HMN-4O	7.000E+12	0	-1.000E+03
HMN-2+HMN-5O2 = HMN-2O+HMN-5O	7.000E+12	0	-1.000E+03
HMN-2+HMN-6O2 = HMN-2O+HMN-6O	7.000E+12	0	-1.000E+03
HMN-2+HMN-7O2 = HMN-2O+HMN-7O	7.000E+12	0	-1.000E+03
HMN-2+HMN-8O2 = HMN-2O+HMN-8O	7.000E+12	0	-1.000E+03
HMN-3+HMN-1O2 = HMN-3O+HMN-1O	7.000E+12	0	-1.000E+03
HMN-3+HMN-2O2 = HMN-3O+HMN-2O	7.000E+12	0	-1.000E+03
HMN-3+HMN-3O2 = HMN-3O+HMN-3O	7.000E+12	0	-1.000E+03
HMN-3+HMN-4O2 = HMN-3O+HMN-4O	7.000E+12	0	-1.000E+03
HMN-3+HMN-5O2 = HMN-3O+HMN-5O	7.000E+12	0	-1.000E+03
HMN-3+HMN-6O2 = HMN-3O+HMN-6O	7.000E+12	0	-1.000E+03
HMN-3+HMN-7O2 = HMN-3O+HMN-7O	7.000E+12	0	-1.000E+03
HMN-3+HMN-8O2 = HMN-3O+HMN-8O	7.000E+12	0	-1.000E+03
HMN-4+HMN-1O2 = HMN-4O+HMN-1O	7.000E+12	0	-1.000E+03
HMN-4+HMN-2O2 = HMN-4O+HMN-2O	7.000E+12	0	-1.000E+03
HMN-4+HMN-3O2 = HMN-4O+HMN-3O	7.000E+12	0	-1.000E+03
HMN-4+HMN-4O2 = HMN-4O+HMN-4O	7.000E+12	0	-1.000E+03
HMN-4+HMN-5O2 = HMN-4O+HMN-5O	7.000E+12	0	-1.000E+03
HMN-4+HMN-6O2 = HMN-4O+HMN-6O	7.000E+12	0	-1.000E+03
HMN-4+HMN-7O2 = HMN-4O+HMN-7O	7.000E+12	0	-1.000E+03
HMN-4+HMN-8O2 = HMN-4O+HMN-8O	7.000E+12	0	-1.000E+03
HMN-5+HMN-1O2 = HMN-5O+HMN-1O	7.000E+12	0	-1.000E+03
HMN-5+HMN-2O2 = HMN-5O+HMN-2O	7.000E+12	0	-1.000E+03
HMN-5+HMN-3O2 = HMN-5O+HMN-3O	7.000E+12	0	-1.000E+03
HMN-5+HMN-4O2 = HMN-5O+HMN-4O	7.000E+12	0	-1.000E+03
HMN-5+HMN-5O2 = HMN-5O+HMN-5O	7.000E+12	0	-1.000E+03
HMN-5+HMN-6O2 = HMN-5O+HMN-6O	7.000E+12	0	-1.000E+03
HMN-5+HMN-7O2 = HMN-5O+HMN-7O	7.000E+12	0	-1.000E+03
HMN-5+HMN-8O2 = HMN-5O+HMN-8O	7.000E+12	0	-1.000E+03
HMN-6+HMN-1O2 = HMN-6O+HMN-1O	7.000E+12	0	-1.000E+03
HMN-6+HMN-2O2 = HMN-6O+HMN-2O	7.000E+12	0	-1.000E+03
HMN-6+HMN-3O2 = HMN-6O+HMN-3O	7.000E+12	0	-1.000E+03
HMN-6+HMN-4O2 = HMN-6O+HMN-4O	7.000E+12	0	-1.000E+03
HMN-6+HMN-5O2 = HMN-6O+HMN-5O	7.000E+12	0	-1.000E+03
HMN-6+HMN-6O2 = HMN-6O+HMN-6O	7.000E+12	0	-1.000E+03
HMN-6+HMN-7O2 = HMN-6O+HMN-7O	7.000E+12	0	-1.000E+03
HMN-6+HMN-8O2 = HMN-6O+HMN-8O	7.000E+12	0	-1.000E+03
HMN-7+HMN-1O2 = HMN-7O+HMN-1O	7.000E+12	0	-1.000E+03
HMN-7+HMN-2O2 = HMN-7O+HMN-2O	7.000E+12	0	-1.000E+03
HMN-7+HMN-3O2 = HMN-7O+HMN-3O	7.000E+12	0	-1.000E+03
HMN-7+HMN-4O2 = HMN-7O+HMN-4O	7.000E+12	0	-1.000E+03
HMN-7+HMN-5O2 = HMN-7O+HMN-5O	7.000E+12	0	-1.000E+03
HMN-7+HMN-6O2 = HMN-7O+HMN-6O	7.000E+12	0	-1.000E+03
HMN-7+HMN-7O2 = HMN-7O+HMN-7O	7.000E+12	0	-1.000E+03
HMN-7+HMN-8O2 = HMN-7O+HMN-8O	7.000E+12	0	-1.000E+03
HMN-8+HMN-1O2 = HMN-8O+HMN-1O	7.000E+12	0	-1.000E+03
HMN-8+HMN-2O2 = HMN-8O+HMN-2O	7.000E+12	0	-1.000E+03
HMN-8+HMN-3O2 = HMN-8O+HMN-3O	7.000E+12	0	-1.000E+03
HMN-8+HMN-4O2 = HMN-8O+HMN-4O	7.000E+12	0	-1.000E+03
HMN-8+HMN-5O2 = HMN-8O+HMN-5O	7.000E+12	0	-1.000E+03
HMN-8+HMN-6O2 = HMN-8O+HMN-6O	7.000E+12	0	-1.000E+03
HMN-8+HMN-7O2 = HMN-8O+HMN-7O	7.000E+12	0	-1.000E+03
HMN-8+HMN-8O2 = HMN-8O+HMN-8O	7.000E+12	0	-1.000E+03
!
!Class 13 - R + HO2  =  RO + OH REACTIONS
!
HMN-7+HO2  =  HMN-7O+OH   7.00E+12  0.0  -1000.
    REV / 1.967E+18  -1.37  28890. /
HMN-6+HO2  =  HMN-6O+OH   7.00E+12  0.0  -1000.
    REV / 1.129E+16  -0.75  26980. /
HMN-5+HO2  =  HMN-5O+OH   7.00E+12  0.0  -1000.
    REV / 1.967E+18  -1.37  28890. /
HMN-4+HO2  =  HMN-4O+OH   7.00E+12  0.0  -1000.
    REV / 1.967E+18  -1.37  28890. /
HMN-3+HO2  =  HMN-3O+OH   7.00E+12  0.0  -1000.
    REV / 1.129E+16  -0.75  26980. /
HMN-2+HO2  =  HMN-2O+OH   7.00E+12  0.0  -1000.
    REV / 1.967E+18  -1.37  28890. /
HMN-1+HO2  =  HMN-1O+OH   7.00E+12  0.0  -1000.
    REV / 1.129E+16  -0.75  26980. /
HMN-8+HO2  =  HMN-8O+OH   7.00E+12  0.0  -1000.
    REV / 1.129E+16  -0.75  26980. /
!
!Class 14 - R + CH3O2  =  RO + CH3O REACTIONS
!
HMN-1+CH3O2  =  HMN-1O+CH3O    7.000E+12 0.000 -1.000E+03
HMN-2+CH3O2  =  HMN-2O+CH3O    7.000E+12 0.000 -1.000E+03
HMN-3+CH3O2  =  HMN-3O+CH3O    7.000E+12 0.000 -1.000E+03
HMN-4+CH3O2  =  HMN-4O+CH3O    7.000E+12 0.000 -1.000E+03
HMN-5+CH3O2  =  HMN-5O+CH3O    7.000E+12 0.000 -1.000E+03
HMN-6+CH3O2  =  HMN-6O+CH3O    7.000E+12 0.000 -1.000E+03
HMN-7+CH3O2  =  HMN-7O+CH3O    7.000E+12 0.000 -1.000E+03
HMN-8+CH3O2  =  HMN-8O+CH3O    7.000E+12 0.000 -1.000E+03
!
!Class 15 - Isomerization  of ROO
!INCLUDES TRANSITION STATE RINGS OF 5, 6, 7, 8 ATOMS
!
!
HMN-1O2  =  HMNOOH1-1	1.784E+07	1.60E+00	2.100E+04
HMN-1O2  =  HMNOOH1-2	3.400E+07	1.30E+00	1.820E+04
HMN-1O2  =  HMNOOH1-3	1.471E+06	1.50E+00	1.990E+04
HMN-1O2  =  HMNOOH1-4	6.500E+06	1.00E+00	1.820E+04
HMN-2O2  =  HMNOOH2-1	1.079E+08	1.40E+00	2.080E+04
HMN-2O2  =  HMNOOH2-3	7.193E+07	1.40E+00	2.080E+04
HMN-2O2  =  HMNOOH2-4	1.759E+11	2.00E-01	1.850E+04
HMN-2O2  =  HMNOOH2-5	3.900E+09	0.00E+00	1.705E+04
HMN-2O2  =  HMNOOH2-6	7.353E+05	1.50E+00	1.990E+04
HMN-2O2  =  HMNOOH2-7	9.765E+08	0.00E+00	2.205E+04
HMN-3O2  =  HMNOOH3-1	2.206E+06	1.50E+00	1.990E+04
HMN-3O2  =  HMNOOH3-2	3.400E+07	1.30E+00	1.820E+04
HMN-3O2  =  HMNOOH3-3	8.918E+06	1.60E+00	2.100E+04
HMN-3O2  =  HMNOOH3-4	3.400E+07	1.30E+00	1.820E+04
HMN-3O2  =  HMNOOH3-5	4.270E+06	1.20E+00	1.380E+04
HMN-3O2  =  HMNOOH3-6	7.353E+05	1.50E+00	1.990E+04
HMN-3O2  =  HMNOOH3-7	6.500E+06	1.00E+00	1.820E+04
HMN-4O2  =  HMNOOH4-1	2.206E+06	1.50E+00	1.990E+04
HMN-4O2  =  HMNOOH4-2	1.759E+11	2.00E-01	1.850E+04
HMN-4O2  =  HMNOOH4-3	7.193E+07	1.40E+00	2.080E+04
HMN-4O2  =  HMNOOH4-5	1.862E+10	6.00E-01	2.730E+04
HMN-4O2  =  HMNOOH4-6	3.598E+07	1.40E+00	2.080E+04
HMN-4O2  =  HMNOOH4-7	1.759E+11	2.00E-01	1.850E+04
HMN-4O2  =  HMNOOH4-8	2.206E+06	1.50E+00	1.990E+04
HMN-5O2  =  HMNOOH5-2	7.813E+09	0.00E+00	1.905E+04
HMN-5O2  =  HMNOOH5-3	6.168E+06	1.50E+00	2.000E+04
HMN-5O2  =  HMNOOH5-4	1.629E+10	7.00E-01	3.010E+04
HMN-5O2  =  HMNOOH5-6	3.768E+09	1.20E+00	3.350E+04
HMN-5O2  =  HMNOOH5-7	1.629E+10	7.00E-01	3.010E+04
HMN-5O2  =  HMNOOH5-8	9.250E+06	1.50E+00	2.000E+04
HMN-6O2  =  HMNOOH6-2	6.500E+06	1.00E+00	1.820E+04
HMN-6O2  =  HMNOOH6-3	1.471E+06	1.50E+00	1.990E+04
HMN-6O2  =  HMNOOH6-4	3.400E+07	1.30E+00	1.820E+04
HMN-6O2  =  HMNOOH6-5	5.773E+09	8.00E-01	2.710E+04
HMN-6O2  =  HMNOOH6-7	3.400E+07	1.30E+00	1.820E+04
HMN-6O2  =  HMNOOH6-8	2.206E+06	1.50E+00	1.990E+04
HMN-7O2  =  HMNOOH7-2	9.765E+08	0.00E+00	2.205E+04
HMN-7O2  =  HMNOOH7-3	1.471E+06	1.50E+00	1.990E+04
HMN-7O2  =  HMNOOH7-4	1.759E+11	2.00E-01	1.850E+04
HMN-7O2  =  HMNOOH7-5	1.862E+10	6.00E-01	2.730E+04
HMN-7O2  =  HMNOOH7-6	3.598E+07	1.40E+00	2.080E+04
HMN-7O2  =  HMNOOH7-8	1.079E+08	1.40E+00	2.080E+04
HMN-8O2  =  HMNOOH8-4	6.500E+06	1.00E+00	1.820E+04
HMN-8O2  =  HMNOOH8-5	4.270E+06	1.20E+00	1.380E+04
HMN-8O2  =  HMNOOH8-6	7.353E+05	1.50E+00	1.990E+04
HMN-8O2  =  HMNOOH8-7	3.400E+07	1.30E+00	1.820E+04
HMN-8O2  =  HMNOOH8-8	1.784E+07	1.60E+00	2.100E+04
!
!Class 16 - Concerted elimination
!
!
HMN-4O2  =  AC16H32+HO2	7.000E+10	7.10E-01	3.010E+04
HMN-5O2  =  AC16H32+HO2	1.124E+11	5.80E-01	2.960E+04
HMN-5O2  =  BC16H32+HO2	1.224E+10	8.90E-01	2.950E+04
HMN-5O2  =  CC16H32+HO2	1.124E+11	5.80E-01	2.960E+04
HMN-6O2  =  BC16H32+HO2	2.520E+08	1.32E+00	2.790E+04
HMN-7O2  =  CC16H32+HO2	7.000E+10	7.10E-01	3.010E+04
!
!Class 17 - RO2 + HO2  =  ROOH + O2
!
HMN-1O2 + HO2 = HMN-1OOH + O2	1.750E+10	0	-3.275E+03
HMN-2O2 + HO2 = HMN-2OOH + O2	1.750E+10	0	-3.275E+03
HMN-3O2 + HO2 = HMN-3OOH + O2	1.750E+10	0	-3.275E+03
HMN-4O2 + HO2 = HMN-4OOH + O2	1.750E+10	0	-3.275E+03
HMN-5O2 + HO2 = HMN-5OOH + O2	1.750E+10	0	-3.275E+03
HMN-6O2 + HO2 = HMN-6OOH + O2	1.750E+10	0	-3.275E+03
HMN-7O2 + HO2 = HMN-7OOH + O2	1.750E+10	0	-3.275E+03
HMN-8O2 + HO2 = HMN-8OOH + O2	1.750E+10	0	-3.275E+03
!
!Class 18 - RO2 + H2O2  =  ROOH + HO2
!
HMN-7O2+H2O2 = HMN-7OOH + HO2 2.400E+12  0.00  1.000E+04
    REV /  2.400E+12  0.00  1.000E+04 /
HMN-6O2+H2O2 = HMN-6OOH + HO2 2.400E+12  0.00  1.000E+04
    REV /  2.400E+12  0.00  1.000E+04 /
HMN-5O2+H2O2 = HMN-5OOH + HO2 2.400E+12  0.00  1.000E+04
    REV /  2.400E+12  0.00  1.000E+04 /
HMN-4O2+H2O2 = HMN-4OOH + HO2 2.400E+12  0.00  1.000E+04
    REV /  2.400E+12  0.00  1.000E+04 /
HMN-3O2+H2O2 = HMN-3OOH + HO2 2.400E+12  0.00  1.000E+04
    REV /  2.400E+12  0.00  1.000E+04 /
HMN-2O2+H2O2 = HMN-2OOH + HO2 2.400E+12  0.00  1.000E+04
    REV /  2.400E+12  0.00  1.000E+04 /
HMN-1O2+H2O2 = HMN-1OOH + HO2 2.400E+12  0.00  1.000E+04
    REV /  2.400E+12  0.00  1.000E+04 /
HMN-8O2+H2O2 = HMN-8OOH + HO2 2.400E+12  0.00  1.000E+04
    REV /  2.400E+12  0.00  1.000E+04 /
!
!Class 19 - RO2 + CH3O2  =  RO + CH3O + O2
!
HMN-1O2+CH3O2=HMN-1O+CH3O+O2	1.400E+16	-1.61E+00	1.860E+03
HMN-2O2+CH3O2=HMN-2O+CH3O+O2	1.400E+16	-1.61E+00	1.860E+03
HMN-3O2+CH3O2=HMN-3O+CH3O+O2	1.400E+16	-1.61E+00	1.860E+03
HMN-4O2+CH3O2=HMN-4O+CH3O+O2	1.400E+16	-1.61E+00	1.860E+03
HMN-5O2+CH3O2=HMN-5O+CH3O+O2	1.400E+16	-1.61E+00	1.860E+03
HMN-6O2+CH3O2=HMN-6O+CH3O+O2	1.400E+16	-1.61E+00	1.860E+03
HMN-7O2+CH3O2=HMN-7O+CH3O+O2	1.400E+16	-1.61E+00	1.860E+03
HMN-8O2+CH3O2=HMN-8O+CH3O+O2	1.400E+16	-1.61E+00	1.860E+03
!
!Class 20 - RO2 + RO2  =  RO + RO + O2
!
HMN-7O2+HMN-8O2=HMN-7O+HMN-8O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
!
HMN-7O2+HMN-7O2=HMN-7O+HMN-7O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
HMN-6O2+HMN-8O2=HMN-6O+HMN-8O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
!
HMN-6O2+HMN-7O2=HMN-6O+HMN-7O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
HMN-6O2+HMN-6O2=HMN-6O+HMN-6O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
HMN-5O2+HMN-8O2=HMN-5O+HMN-8O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
!
HMN-5O2+HMN-7O2=HMN-5O+HMN-7O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
HMN-5O2+HMN-6O2=HMN-5O+HMN-6O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
HMN-5O2+HMN-5O2=HMN-5O+HMN-5O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
HMN-4O2+HMN-8O2=HMN-4O+HMN-8O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
!
HMN-4O2+HMN-7O2=HMN-4O+HMN-7O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
HMN-4O2+HMN-6O2=HMN-4O+HMN-6O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
HMN-4O2+HMN-5O2=HMN-4O+HMN-5O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
HMN-4O2+HMN-4O2=HMN-4O+HMN-4O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
HMN-3O2+HMN-8O2=HMN-3O+HMN-8O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
!
HMN-3O2+HMN-7O2=HMN-3O+HMN-7O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
HMN-3O2+HMN-6O2=HMN-3O+HMN-6O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
HMN-3O2+HMN-5O2=HMN-3O+HMN-5O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
HMN-3O2+HMN-4O2=HMN-3O+HMN-4O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
HMN-3O2+HMN-3O2=HMN-3O+HMN-3O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
HMN-2O2+HMN-8O2=HMN-2O+HMN-8O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
!
HMN-2O2+HMN-7O2=HMN-2O+HMN-7O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
HMN-2O2+HMN-6O2=HMN-2O+HMN-6O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
HMN-2O2+HMN-5O2=HMN-2O+HMN-5O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
HMN-2O2+HMN-4O2=HMN-2O+HMN-4O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
HMN-2O2+HMN-3O2=HMN-2O+HMN-3O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
HMN-2O2+HMN-2O2=HMN-2O+HMN-2O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
HMN-1O2+HMN-8O2=HMN-1O+HMN-8O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
!
HMN-1O2+HMN-7O2=HMN-1O+HMN-7O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
HMN-1O2+HMN-6O2=HMN-1O+HMN-6O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
HMN-1O2+HMN-5O2=HMN-1O+HMN-5O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
HMN-1O2+HMN-4O2=HMN-1O+HMN-4O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
HMN-1O2+HMN-3O2=HMN-1O+HMN-3O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
HMN-1O2+HMN-2O2=HMN-1O+HMN-2O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
HMN-1O2+HMN-1O2=HMN-1O+HMN-1O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
HMN-8O2+HMN-8O2=HMN-8O+HMN-8O+O2 1.400E+16 -1.61 1860.
    REV /  0.000E+00  0.00  0.000E+00 /
!
!Class 21 - ROOH = RO + OH
!
HMN-7OOH  =  HMN-7O + OH   1.25E+16  0.  41600.
HMN-6OOH  =  HMN-6O + OH   1.50E+16  0.  42500.
HMN-5OOH  =  HMN-5O + OH   1.25E+16  0.  41600.
HMN-4OOH  =  HMN-4O + OH   1.25E+16  0.  41600.
HMN-3OOH  =  HMN-3O + OH   1.50E+16  0.  42500.
HMN-2OOH  =  HMN-2O + OH   1.25E+16  0.  41600.
HMN-1OOH  =  HMN-1O + OH   1.50E+16  0.  42500.
HMN-8OOH  =  HMN-8O + OH   1.50E+16  0.  42500.
!
!Class 22 - RO2+RH = ROOH+R
HMN-1O2+HMN = HMN-1OOH + HMN-1	1.810E+13	0	2.043E+04
HMN-1O2+HMN = HMN-1OOH + HMN-2	1.008E+12	0	1.600E+04
HMN-1O2+HMN = HMN-1OOH + HMN-3	1.210E+13	0	2.043E+04
HMN-1O2+HMN = HMN-1OOH + HMN-4	1.008E+12	0	1.600E+04
HMN-1O2+HMN = HMN-1OOH + HMN-5	4.032E+12	0	1.770E+04
HMN-1O2+HMN = HMN-1OOH + HMN-6	1.210E+13	0	2.043E+04
HMN-1O2+HMN = HMN-1OOH + HMN-7	1.008E+12	0	1.600E+04
HMN-1O2+HMN = HMN-1OOH + HMN-8	1.810E+13	0	2.043E+04
HMN-2O2+HMN = HMN-2OOH + HMN-1	1.810E+13	0	2.043E+04
HMN-2O2+HMN = HMN-2OOH + HMN-2	1.008E+12	0	1.600E+04
HMN-2O2+HMN = HMN-2OOH + HMN-3	1.210E+13	0	2.043E+04
HMN-2O2+HMN = HMN-2OOH + HMN-4	1.008E+12	0	1.600E+04
HMN-2O2+HMN = HMN-2OOH + HMN-5	4.032E+12	0	1.770E+04
HMN-2O2+HMN = HMN-2OOH + HMN-6	1.210E+13	0	2.043E+04
HMN-2O2+HMN = HMN-2OOH + HMN-7	1.008E+12	0	1.600E+04
HMN-2O2+HMN = HMN-2OOH + HMN-8	1.810E+13	0	2.043E+04
HMN-3O2+HMN = HMN-3OOH + HMN-1	1.810E+13	0	2.043E+04
HMN-3O2+HMN = HMN-3OOH + HMN-2	1.008E+12	0	1.600E+04
HMN-3O2+HMN = HMN-3OOH + HMN-3	1.210E+13	0	2.043E+04
HMN-3O2+HMN = HMN-3OOH + HMN-4	1.008E+12	0	1.600E+04
HMN-3O2+HMN = HMN-3OOH + HMN-5	4.032E+12	0	1.770E+04
HMN-3O2+HMN = HMN-3OOH + HMN-6	1.210E+13	0	2.043E+04
HMN-3O2+HMN = HMN-3OOH + HMN-7	1.008E+12	0	1.600E+04
HMN-3O2+HMN = HMN-3OOH + HMN-8	1.810E+13	0	2.043E+04
HMN-4O2+HMN = HMN-4OOH + HMN-1	1.810E+13	0	2.043E+04
HMN-4O2+HMN = HMN-4OOH + HMN-2	1.008E+12	0	1.600E+04
HMN-4O2+HMN = HMN-4OOH + HMN-3	1.210E+13	0	2.043E+04
HMN-4O2+HMN = HMN-4OOH + HMN-4	1.008E+12	0	1.600E+04
HMN-4O2+HMN = HMN-4OOH + HMN-5	4.032E+12	0	1.770E+04
HMN-4O2+HMN = HMN-4OOH + HMN-6	1.210E+13	0	2.043E+04
HMN-4O2+HMN = HMN-4OOH + HMN-7	1.008E+12	0	1.600E+04
HMN-4O2+HMN = HMN-4OOH + HMN-8	1.810E+13	0	2.043E+04
HMN-5O2+HMN = HMN-5OOH + HMN-1	1.810E+13	0	2.043E+04
HMN-5O2+HMN = HMN-5OOH + HMN-2	1.008E+12	0	1.600E+04
HMN-5O2+HMN = HMN-5OOH + HMN-3	1.210E+13	0	2.043E+04
HMN-5O2+HMN = HMN-5OOH + HMN-4	1.008E+12	0	1.600E+04
HMN-5O2+HMN = HMN-5OOH + HMN-5	4.032E+12	0	1.770E+04
HMN-5O2+HMN = HMN-5OOH + HMN-6	1.210E+13	0	2.043E+04
HMN-5O2+HMN = HMN-5OOH + HMN-7	1.008E+12	0	1.600E+04
HMN-5O2+HMN = HMN-5OOH + HMN-8	1.810E+13	0	2.043E+04
HMN-6O2+HMN = HMN-6OOH + HMN-1	1.810E+13	0	2.043E+04
HMN-6O2+HMN = HMN-6OOH + HMN-2	1.008E+12	0	1.600E+04
HMN-6O2+HMN = HMN-6OOH + HMN-3	1.210E+13	0	2.043E+04
HMN-6O2+HMN = HMN-6OOH + HMN-4	1.008E+12	0	1.600E+04
HMN-6O2+HMN = HMN-6OOH + HMN-5	4.032E+12	0	1.770E+04
HMN-6O2+HMN = HMN-6OOH + HMN-6	1.210E+13	0	2.043E+04
HMN-6O2+HMN = HMN-6OOH + HMN-7	1.008E+12	0	1.600E+04
HMN-6O2+HMN = HMN-6OOH + HMN-8	1.810E+13	0	2.043E+04
HMN-7O2+HMN = HMN-7OOH + HMN-1	1.810E+13	0	2.043E+04
HMN-7O2+HMN = HMN-7OOH + HMN-2	1.008E+12	0	1.600E+04
HMN-7O2+HMN = HMN-7OOH + HMN-3	1.210E+13	0	2.043E+04
HMN-7O2+HMN = HMN-7OOH + HMN-4	1.008E+12	0	1.600E+04
HMN-7O2+HMN = HMN-7OOH + HMN-5	4.032E+12	0	1.770E+04
HMN-7O2+HMN = HMN-7OOH + HMN-6	1.210E+13	0	2.043E+04
HMN-7O2+HMN = HMN-7OOH + HMN-7	1.008E+12	0	1.600E+04
HMN-7O2+HMN = HMN-7OOH + HMN-8	1.810E+13	0	2.043E+04
HMN-8O2+HMN = HMN-8OOH + HMN-1	1.810E+13	0	2.043E+04
HMN-8O2+HMN = HMN-8OOH + HMN-2	1.008E+12	0	1.600E+04
HMN-8O2+HMN = HMN-8OOH + HMN-3	1.210E+13	0	2.043E+04
HMN-8O2+HMN = HMN-8OOH + HMN-4	1.008E+12	0	1.600E+04
HMN-8O2+HMN = HMN-8OOH + HMN-5	4.032E+12	0	1.770E+04
HMN-8O2+HMN = HMN-8OOH + HMN-6	1.210E+13	0	2.043E+04
HMN-8O2+HMN = HMN-8OOH + HMN-7	1.008E+12	0	1.600E+04
HMN-8O2+HMN = HMN-8OOH + HMN-8	1.810E+13	0	2.043E+04
!
!Class 23 - Alkoxy radical decomposition
!
TC4H9CHO+SC11H23  =  HMN-7O   1.00E+11  0.  12900.
CH2O+CC15H31      =  HMN-6O   1.00E+11  0.  11900.
NEC5COCH3+CC9H19  =  HMN-5O   1.00E+11  0.  12900.
CC8H17+DC7H15CHO  =  HMN-4O   1.00E+11  0.  12900.
CH2O+BC15H31      =  HMN-3O   1.00E+11  0.  11900.
TC4H9CHO+AC11H23  =  HMN-2O   1.00E+11  0.  12900.
CH2O+AC15H31      =  HMN-1O   1.00E+11  0.  11900.
CH2O+DC15H31      =  HMN-8O   1.00E+11  0.  11900.
!
!Class 24 - QOOH = CYCLIC ETHER + OH
!
!
!
HMNOOH4-5=HMNO4-5+OH                3.6500E+12  0.00700     11654.54
HMNOOH5-4=HMNO4-5+OH                3.3100E+10  0.52900      8787.40
HMNOOH5-6=HMNO5-6+OH                4.6400E+12  0.00400     11458.18
HMNOOH5-7=HMNO5-7+OH                3.3100E+10  0.52900      8787.40
HMNOOH6-5=HMNO5-6+OH                8.5000E+12  0.00700     12848.30
HMNOOH7-5=HMNO5-7+OH                3.6500E+12  0.00700     11654.50
HMNOOH1-1=HMNO1-1+OH                5.3468E+11  0.00000     16035.10
HMNOOH1-2=HMNO1-2+OH                2.2668E+12  0.00000     15299.90
HMNOOH2-1=HMNO1-2+OH                2.7158E+11  0.00000     13948.00
HMNOOH2-3=HMNO2-3+OH                2.7158E+11  0.00000     13948.00
HMNOOH2-4=HMNO2-4+OH                8.8844E+11  0.00000     12975.10
HMNOOH3-2=HMNO2-3+OH                2.1985E+12  0.00000     15299.90
HMNOOH3-3=HMNO3-3+OH                5.1857E+11  0.00000     16035.10
HMNOOH3-4=HMNO3-4+OH                2.1985E+12  0.00000     15299.90
HMNOOH4-2=HMNO2-4+OH                9.6052E+11  0.00000     12975.10
HMNOOH4-3=HMNO3-4+OH                2.9361E+11  0.00000     13948.00
HMNOOH4-6=HMNO4-6+OH                7.5394E+12  0.00000     17147.80
HMNOOH4-7=HMNO4-7+OH                2.1916E+12  0.00000     16571.60
HMNOOH6-4=HMNO4-6+OH                4.9788E+12  0.00000     16863.00
HMNOOH6-7=HMNO6-7+OH                4.9788E+12  0.00000     16863.00
HMNOOH7-4=HMNO4-7+OH                4.0505E+12  0.00000     16571.60
HMNOOH7-6=HMNO6-7+OH                1.3935E+13  0.00000     17147.80
HMNOOH7-8=HMNO7-8+OH                5.4265E+11  0.00000     13948.00
HMNOOH8-7=HMNO7-8+OH                2.6190E+12  0.00000     15299.90
HMNOOH8-8=HMNO8-8+OH                6.1776E+11  0.00000     16035.10
HMNOOH2-5=HMNO2-5+OH                2.2696E+10  0.00000      7789.00
HMNOOH3-5=HMNO3-5+OH                1.8628E+10  0.00000      9096.80
HMNOOH5-2=HMNO2-5+OH                5.0889E+10  0.00000      9358.80
HMNOOH5-3=HMNO3-5+OH                5.0889E+10  0.00000     12266.70
HMNOOH5-8=HMNO5-8+OH                5.0889E+10  0.00000     12266.70
HMNOOH8-5=HMNO5-8+OH                2.2191E+10  0.00000      9096.80
HMNOOH1-3=HMNO1-3+OH                6.2400E+09  0.00000     12279.70
HMNOOH1-4=HMNO1-4+OH                6.2400E+09  0.00000     12279.70
HMNOOH2-6=HMNO2-6+OH                4.5400E+09  0.00000     15001.90
HMNOOH2-7=HMNO2-7+OH                1.9000E+09  0.00000     12200.20
HMNOOH3-1=HMNO1-3+OH                6.2400E+09  0.00000     12279.70
HMNOOH3-6=HMNO3-6+OH                6.2400E+09  0.00000     12279.70
HMNOOH3-7=HMNO3-7+OH                4.9900E+09  0.00000     10332.40
HMNOOH4-1=HMNO1-4+OH                4.5400E+09  0.00000     15001.90
HMNOOH4-8=HMNO4-8+OH                4.5400E+09  0.00000     15001.90
HMNOOH6-2=HMNO2-6+OH                4.9900E+09  0.00000     10332.40
HMNOOH6-3=HMNO3-6+OH                6.2400E+09  0.00000     12279.70
HMNOOH6-8=HMNO6-8+OH                6.2400E+09  0.00000     12279.70
HMNOOH7-2=HMNO2-7+OH                1.9000E+09  0.00000     12200.20
HMNOOH7-3=HMNO3-7+OH                4.5400E+09  0.00000     15001.90
HMNOOH8-4=HMNO4-8+OH                4.9900E+09  0.00000     10332.40
HMNOOH8-6=HMNO6-8+OH                6.2400E+09  0.00000     12279.70
!
!Class 25 - QOOH  =  Q + HO2
!
!
HMNOOH4-5 = AC16H32 + HO2	7.820E+09	0.9	1.490E+04
HMNOOH5-4 = AC16H32 + HO2	3.010E+11	0.35	1.520E+04
HMNOOH5-6 = BC16H32 + HO2	3.890E+13	-0.15	1.550E+04
HMNOOH5-7 = CC16H32 + HO2	3.010E+11	0.35	1.520E+04
HMNOOH6-5 = BC16H32 + HO2	8.380E+09	0.92	1.450E+04
HMNOOH7-5 = CC16H32 + HO2	7.820E+09	0.9	1.490E+04
!
!Class 26 - Beta decomposition of QOOH
!
!
HMNOOH1-1 = CH2O + AC15H30 + OH	2.74E+13	0.24	2.983E+04
HMNOOH1-2 = CH2O + BC15H30 + OH	2.74E+13	0.24	2.983E+04
HMNOOH2-1 = IC4H8 + AC11H23CHO + OH	2.74E+13	0.24	2.983E+04
HMNOOH2-3 = TC4H9CHO + AC11H22 + OH	2.74E+13	0.24	2.983E+04
HMNOOH2-4 = TC4H9CHO + BC11H22 + OH	2.74E+13	0.24	2.983E+04
HMNOOH3-2 = CH2O + CC15H30 + OH	2.74E+13	0.24	2.983E+04
HMNOOH3-3 = CH2O + DC15H30 + OH	2.74E+13	0.24	2.983E+04
HMNOOH3-4 = CH2O + EC15H30 + OH	2.74E+13	0.24	2.983E+04
HMNOOH4-2 = IC8H16 + DC7H15CHO + OH	2.74E+13	0.24	2.983E+04
HMNOOH4-3 = JC8H16 + DC7H15CHO + OH	2.74E+13	0.24	2.983E+04
HMNOOH4-6 = PC7H14 + IC8H17CHO + OH	2.74E+13	0.24	2.983E+04
HMNOOH4-7 = OC7H14 + IC8H17CHO + OH	2.74E+13	0.24	2.983E+04
HMNOOH6-4 = CH2O + FC15H30 + OH	2.74E+13	0.24	2.983E+04
HMNOOH6-7 = CH2O + GC15H30 + OH	2.74E+13	0.24	2.983E+04
HMNOOH7-4 = TC4H9CHO + CC11H22 + OH	2.74E+13	0.24	2.983E+04
HMNOOH7-6 = TC4H9CHO + DC11H22 + OH	2.74E+13	0.24	2.983E+04
HMNOOH7-8 = IC4H8 + HC11H23CHO + OH	2.74E+13	0.24	2.983E+04
HMNOOH8-7 = CH2O + HC15H30 + OH	2.74E+13	0.24	2.983E+04
HMNOOH8-8 = CH2O + IC15H30 + OH	2.74E+13	0.24	2.983E+04
!
!Class 27 - QOOH + O2  =  O2QOOH
!
!
!
HMNOOH1-1 + O2 = HMNOOH1-1O2	2.745E+16	-1.63E+00	1.990E+02
HMNOOH1-2 + O2 = HMNOOH1-2O2	1.394E+14	-8.16E-01	-5.360E+02
HMNOOH1-3 + O2 = HMNOOH1-3O2	2.745E+16	-1.63E+00	1.990E+02
HMNOOH1-4 + O2 = HMNOOH1-4O2	1.394E+14	-8.16E-01	-5.360E+02
HMNOOH2-1 + O2 = HMNOOH2-1O2	2.745E+16	-1.63E+00	1.990E+02
HMNOOH2-3 + O2 = HMNOOH2-3O2	2.745E+16	-1.63E+00	1.990E+02
HMNOOH2-4 + O2 = HMNOOH2-4O2	1.394E+14	-8.16E-01	-5.360E+02
HMNOOH2-5 + O2 = HMNOOH2-5O2	3.901E+11	3.25E-01	-4.170E+02
HMNOOH2-6 + O2 = HMNOOH2-6O2	2.745E+16	-1.63E+00	1.990E+02
HMNOOH2-7 + O2 = HMNOOH2-7O2	1.394E+14	-8.16E-01	-5.360E+02
HMNOOH3-1 + O2 = HMNOOH3-1O2	2.745E+16	-1.63E+00	1.990E+02
HMNOOH3-2 + O2 = HMNOOH3-2O2	1.394E+14	-8.16E-01	-5.360E+02
HMNOOH3-3 + O2 = HMNOOH3-3O2	2.745E+16	-1.63E+00	1.990E+02
HMNOOH3-4 + O2 = HMNOOH3-4O2	1.394E+14	-8.16E-01	-5.360E+02
HMNOOH3-5 + O2 = HMNOOH3-5O2	3.901E+11	3.25E-01	-4.170E+02
HMNOOH3-6 + O2 = HMNOOH3-6O2	2.745E+16	-1.63E+00	1.990E+02
HMNOOH3-7 + O2 = HMNOOH3-7O2	1.394E+14	-8.16E-01	-5.360E+02
HMNOOH4-1 + O2 = HMNOOH4-1O2	2.745E+16	-1.63E+00	1.990E+02
HMNOOH4-2 + O2 = HMNOOH4-2O2	1.394E+14	-8.16E-01	-5.360E+02
HMNOOH4-3 + O2 = HMNOOH4-3O2	2.745E+16	-1.63E+00	1.990E+02
HMNOOH4-5 + O2 = HMNOOH4-5O2	3.901E+11	3.25E-01	-4.170E+02
HMNOOH4-6 + O2 = HMNOOH4-6O2	2.745E+16	-1.63E+00	1.990E+02
HMNOOH4-7 + O2 = HMNOOH4-7O2	1.394E+14	-8.16E-01	-5.360E+02
HMNOOH4-8 + O2 = HMNOOH4-8O2	2.745E+16	-1.63E+00	1.990E+02
HMNOOH5-2 + O2 = HMNOOH5-2O2	1.394E+14	-8.16E-01	-5.360E+02
HMNOOH5-3 + O2 = HMNOOH5-3O2	2.745E+16	-1.63E+00	1.990E+02
HMNOOH5-4 + O2 = HMNOOH5-4O2	1.394E+14	-8.16E-01	-5.360E+02
HMNOOH5-6 + O2 = HMNOOH5-6O2	2.745E+16	-1.63E+00	1.990E+02
HMNOOH5-7 + O2 = HMNOOH5-7O2	1.394E+14	-8.16E-01	-5.360E+02
HMNOOH5-8 + O2 = HMNOOH5-8O2	2.745E+16	-1.63E+00	1.990E+02
HMNOOH6-2 + O2 = HMNOOH6-2O2	1.394E+14	-8.16E-01	-5.360E+02
HMNOOH6-3 + O2 = HMNOOH6-3O2	2.745E+16	-1.63E+00	1.990E+02
HMNOOH6-4 + O2 = HMNOOH6-4O2	1.394E+14	-8.16E-01	-5.360E+02
HMNOOH6-5 + O2 = HMNOOH6-5O2	3.901E+11	3.25E-01	-4.170E+02
HMNOOH6-7 + O2 = HMNOOH6-7O2	1.394E+14	-8.16E-01	-5.360E+02
HMNOOH6-8 + O2 = HMNOOH6-8O2	2.745E+16	-1.63E+00	1.990E+02
HMNOOH7-2 + O2 = HMNOOH7-2O2	1.394E+14	-8.16E-01	-5.360E+02
HMNOOH7-3 + O2 = HMNOOH7-3O2	2.745E+16	-1.63E+00	1.990E+02
HMNOOH7-4 + O2 = HMNOOH7-4O2	1.394E+14	-8.16E-01	-5.360E+02
HMNOOH7-5 + O2 = HMNOOH7-5O2	3.901E+11	3.25E-01	-4.170E+02
HMNOOH7-6 + O2 = HMNOOH7-6O2	2.745E+16	-1.63E+00	1.990E+02
HMNOOH7-8 + O2 = HMNOOH7-8O2	2.745E+16	-1.63E+00	1.990E+02
HMNOOH8-4 + O2 = HMNOOH8-4O2	1.394E+14	-8.16E-01	-5.360E+02
HMNOOH8-5 + O2 = HMNOOH8-5O2	3.901E+11	3.25E-01	-4.170E+02
HMNOOH8-6 + O2 = HMNOOH8-6O2	2.745E+16	-1.63E+00	1.990E+02
HMNOOH8-7 + O2 = HMNOOH8-7O2	1.394E+14	-8.16E-01	-5.360E+02
HMNOOH8-8 + O2 = HMNOOH8-8O2	2.745E+16	-1.63E+00	1.990E+02
!
!Class 28 - Production of Ketohydroperoxides
!
!
HMNOOH1-1O2 = HMNKET1-1 + OH	1.038E+05	1.90E+00	1.880E+04
HMNOOH1-2O2 = HMNKET1-2 + OH	2.196E+04	2.40E+00	1.990E+04
HMNOOH1-3O2 = HMNKET1-3 + OH	2.230E+03	1.80E+00	1.660E+04
HMNOOH1-4O2 = HMNKET1-4 + OH	7.800E+08	0.00E+00	2.255E+04
HMNOOH2-1O2 = HMNKET2-1 + OH	1.157E+02	2.90E+00	1.700E+04
HMNOOH2-3O2 = HMNKET2-3 + OH	1.157E+02	2.90E+00	1.700E+04
HMNOOH2-4O2 = HMNKET2-4 + OH	3.508E+02	3.10E+00	1.750E+04
HMNOOH2-5O2 = HMNKET2-5 + OH	3.130E+09	0.00E+00	1.605E+04
HMNOOH2-6O2 = HMNKET2-6 + OH	3.990E+03	1.90E+00	1.490E+04
HMNOOH2-7O2 = HMNKET2-7 + OH	3.910E+08	0.00E+00	1.905E+04
HMNOOH3-1O2 = HMNKET3-1 + OH	2.230E+03	1.80E+00	1.660E+04
HMNOOH3-2O2 = HMNKET3-2 + OH	2.196E+04	2.40E+00	1.990E+04
HMNOOH3-3O2 = HMNKET3-3 + OH	1.038E+05	1.90E+00	1.880E+04
HMNOOH3-4O2 = HMNKET3-4 + OH	2.196E+04	2.40E+00	1.990E+04
HMNOOH3-5O2 = HMNKET3-5 + OH	3.768E+03	2.20E+00	1.640E+04
HMNOOH3-6O2 = HMNKET3-6 + OH	2.230E+03	1.80E+00	1.660E+04
HMNOOH3-7O2 = HMNKET3-7 + OH	7.800E+08	0.00E+00	2.255E+04
HMNOOH4-1O2 = HMNKET4-1 + OH	3.990E+03	1.90E+00	1.490E+04
HMNOOH4-2O2 = HMNKET4-2 + OH	3.508E+02	3.10E+00	1.750E+04
HMNOOH4-3O2 = HMNKET4-3 + OH	1.157E+02	2.90E+00	1.700E+04
HMNOOH4-5O2 = HMNKET4-5 + OH	5.242E+08	1.70E+00	2.600E+04
HMNOOH4-6O2 = HMNKET4-6 + OH	1.157E+02	2.90E+00	1.700E+04
HMNOOH4-7O2 = HMNKET4-7 + OH	3.508E+02	3.10E+00	1.750E+04
HMNOOH4-8O2 = HMNKET4-8 + OH	3.990E+03	1.90E+00	1.490E+04
HMNOOH6-2O2 = HMNKET6-2 + OH	7.800E+08	0.00E+00	2.255E+04
HMNOOH6-3O2 = HMNKET6-3 + OH	2.230E+03	1.80E+00	1.660E+04
HMNOOH6-4O2 = HMNKET6-4 + OH	2.196E+04	2.40E+00	1.990E+04
HMNOOH6-5O2 = HMNKET6-5 + OH	7.324E+07	1.60E+00	2.790E+04
HMNOOH6-7O2 = HMNKET6-7 + OH	2.196E+04	2.40E+00	1.990E+04
HMNOOH6-8O2 = HMNKET6-8 + OH	2.230E+03	1.80E+00	1.660E+04
HMNOOH7-2O2 = HMNKET7-2 + OH	3.910E+08	0.00E+00	1.905E+04
HMNOOH7-3O2 = HMNKET7-3 + OH	3.990E+03	1.90E+00	1.490E+04
HMNOOH7-4O2 = HMNKET7-4 + OH	3.508E+02	3.10E+00	1.750E+04
HMNOOH7-5O2 = HMNKET7-5 + OH	5.242E+08	1.70E+00	2.600E+04
HMNOOH7-6O2 = HMNKET7-6 + OH	1.157E+02	2.90E+00	1.700E+04
HMNOOH7-8O2 = HMNKET7-8 + OH	1.157E+02	2.90E+00	1.700E+04
HMNOOH8-4O2 = HMNKET8-4 + OH	7.800E+08	0.00E+00	2.255E+04
HMNOOH8-5O2 = HMNKET8-5 + OH	3.768E+03	2.20E+00	1.640E+04
HMNOOH8-6O2 = HMNKET8-6 + OH	2.230E+03	1.80E+00	1.660E+04
HMNOOH8-7O2 = HMNKET8-7 + OH	2.196E+04	2.40E+00	1.990E+04
HMNOOH8-8O2 = HMNKET8-8 + OH	1.038E+05	1.90E+00	1.880E+04
!
!Class 29 - Decomposition of ketohydroperoxides
!
!
HMNKET1-1 = CH2O+IC3H5CHO+IC4H8+PC7H15+OH       1.500E+16 0.00 4.05E+04
    REV /  0.000 0.00 0.000  /                                 
HMNKET1-2 = IC3H6CHO+AC11H23+HCO+OH             1.050E+16 0.00 4.01E+04
    REV /  0.000 0.00 0.000  /                               
HMNKET1-3 = IC3H6CHO+AC11H23+HCO+OH             1.500E+16 0.00 4.05E+04
    REV /  0.000 0.00 0.000  /                               
HMNKET1-4 = TC4H8CHO+IC3H6CHO+PC7H15+OH         1.050E+16 0.00 4.01E+04
    REV /  0.000 0.00 0.000  /                                 
!                                                             
HMNKET2-1 = IC3H6CO+AC11H23+CH2O+OH             1.500E+16 0.00 4.05E+04
    REV /  0.000 0.00 0.000  /                                
HMNKET2-3 = TC4H9CO+AC10H20+CH2O+OH             1.500E+16 0.00 4.05E+04
    REV /  0.000 0.00 0.000  /                                
HMNKET2-4 = TC4H9+IC3H6CO+DC7H15CHO+OH          1.050E+16 0.00 4.01E+04
    REV /  0.000 0.00 0.000  /                                 
HMNKET2-5 = TC4H9CO+IC4H8+NEC5COCH3+OH          1.050E+16 0.00 4.01E+04
    REV /  0.000 0.00 0.000  /                                 
HMNKET2-6 = TC4H9+IC3H6CO+PC7H14+CH2O+OH        1.500E+16 0.00 4.05E+04
    REV /  0.000 0.00 0.000  /                               
HMNKET2-7 =TC4H9+IC3H6CO+C3H6+TC4H9CHO+OH       1.050E+16 0.00 4.01E+04
    REV /  0.000 0.00 0.000  /                                
!                                                            
HMNKET3-1 = IC4H8+IC3H5CHO+PC7H15+CH2O+OH       1.500E+16 0.00 4.05E+04
    REV /  0.000 0.00 0.000  /                                 
HMNKET3-2 = TC4H9CHO+IC3H5CHO+PC7H15+OH         1.050E+16 0.00 4.01E+04
    REV /  0.000 0.00 0.000  /                                
HMNKET3-3 = TC4H9+C2H3CO+DC8H17+CH2O+OH         1.500E+16 0.00 4.05E+04
    REV /  0.000 0.00 0.000  /                               
HMNKET3-4 = TC4H9+IC3H5CHO+CH3CHCHO+NEOC5H11+OH 1.050E+16 0.00 4.01E+04
    REV /  0.000 0.00 0.000  /                                 
HMNKET3-5 = TC4H9+IC3H5CHO+CH3COCH2+NEOC5H11+OH 1.050E+16 0.00 4.01E+04
    REV /  0.000 0.00 0.000  /                                 
HMNKET3-6 = TC4H9+IC3H5CHO+OC7H14+CH2O+OH       1.500E+16 0.00 4.05E+04
    REV /  0.000 0.00 0.000  /                                 
HMNKET3-7=TC4H9+IC3H5CHO+C3H6+TC4H9CHO+OH       1.050E+16 0.00 4.01E+04
    REV /  0.000 0.00 0.000  /                                 
!                                                              
HMNKET4-1 = IC4H8+IC3H6CO+PC7H15+CH2O+OH        1.500E+16 0.00 4.05E+04
    REV /  0.000 0.00 0.000  /                                 
HMNKET4-2 = TC4H9CHO+IC3H6CO+PC7H15+OH          1.050E+16 0.00 4.01E+04
    REV /  0.000 0.00 0.000  /                               
HMNKET4-3 = TC4H9+IC3H5CO+CH2O+PC7H15+OH        1.500E+16 0.00 4.05E+04
    REV /  0.000 0.00 0.000  /                                 
HMNKET4-5 = NEOC5H11+IC3H6CO+CH3COCH2+TC4H9+OH  1.050E+16 0.00 4.01E+04
    REV /  0.000 0.00 0.000  /                                 
HMNKET4-6 = CC8H17+C2H3CO+TC4H9+CH2O+OH         1.500E+16 0.00 4.05E+04
    REV /  0.000 0.00 0.000  /                                 
HMNKET4-7 = CC8H17+CH3CHCO+TC4H9CHO+OH          1.050E+16 0.00 4.01E+04
    REV /  0.000 0.00 0.000  /                                 
HMNKET4-8 = CC8H17+CH3CHCO+IC4H8+CH2O+OH        1.500E+16 0.00 4.05E+04
    REV /  0.000 0.00 0.000  /                                 
!                                                              
HMNKET6-2 = TC4H9CHO+IC4H8+C2H3CHO+TC4H9+OH     1.050E+16 0.00 4.01E+04
    REV /  0.000 0.00 0.000  /                                 
HMNKET6-3 = JC8H16+C2H3CHO+PC4H9+CH2O+OH        1.500E+16 0.00 4.05E+04
    REV /  0.000 0.00 0.000  /                                
HMNKET6-4 = NEOC5H11+IC3H6CHO+C2H3CHO+TC4H9+OH  1.050E+16 0.00 4.01E+04
    REV /  0.000 0.00 0.000  /                                
HMNKET6-5 = CC9H19+TC4H9+CH2CO+HCO+OH           1.050E+16 0.00 4.01E+04
    REV /  0.000 0.00 0.000  /                                 
HMNKET6-7 = CC8H17+C2H3CHO+TC4H9CHO+OH          1.050E+16 0.00 4.01E+04
    REV /  0.000 0.00 0.000  /                                 
HMNKET6-8 = CC8H17+C2H3CHO+IC4H8+CH2O+OH        1.500E+16 0.00 4.05E+04
    REV /  0.000 0.00 0.000  /                                 
!                                                              
HMNKET7-2 = TC4H9CHO+IC4H8+CH3CHCO+TC4H9+OH     1.050E+16 0.00 4.01E+04
    REV /  0.000 0.00 0.000  /                                 
HMNKET7-3 = JC8H16+CH3CHCO+TC4H9+CH2O+OH        1.500E+16 0.00 4.05E+04
    REV /  0.000 0.00 0.000  /                                 
HMNKET7-4 = NEOC5H11+IC3H6CHO+CH3CHCO+TC4H9+OH  1.050E+16 0.00 4.01E+04
    REV /  0.000 0.00 0.000  /                                
HMNKET7-5 = CC8H17+CH3COCH2+TC4H9CO+OH          1.050E+16 0.00 4.01E+04
    REV /  0.000 0.00 0.000  /                                 
HMNKET7-6 = CC8H17+C2H3+TC4H9CO+CH2O+OH         1.500E+16 0.00 4.05E+04
    REV /  0.000 0.00 0.000  /                                 
HMNKET7-8 = SC11H23+IC3H6CO+CH2O+OH             1.500E+16 0.00 4.05E+04
    REV /  0.000 0.00 0.000  /                                 
!                                                              
HMNKET8-4 = CC8H17+CH3CHCHO+TC4H8CHO+OH         1.050E+16 0.00 4.01E+04
    REV /  0.000 0.00 0.000  /                                 
HMNKET8-5 = CC8H17+CH3COCH2+TC4H8CHO+OH         1.050E+16 0.00 4.01E+04
    REV /  0.000 0.00 0.000  /                                
HMNKET8-6 = CC8H17+C2H3+TC4H8CHO+CH2O+OH        1.500E+16 0.00 4.05E+04
    REV /  0.000 0.00 0.000  /                                
HMNKET8-7 = CC9H19+CH3CHCHO+IC3H6CHO+OH         1.050E+16 0.00 4.01E+04
    REV /  0.000 0.00 0.000  /                                 
HMNKET8-8 = SC11H23+IC3H5CHO+CH2O+OH            1.500E+16 	0.00	 4.05E+04
    REV /  0.000 0.00 0.000  /
!
!Class 30 - Reactions of cyclic ethers
!
HMNO1-1+HO2 = IC3H5CHO+AC12H25+H2O2 	1.000E+13	0	1.770E+04
HMNO1-2+HO2 = HCO+BC15H30+H2O2	5.000E+12	0	1.770E+04
HMNO1-2+HO2 = IC4H8+AC11H23CO+H2O2	5.000E+12	0	1.770E+04
HMNO1-3+HO2 = TC4H8CHO+AC11H22+H2O2	5.000E+12	0	1.770E+04
HMNO1-3+HO2 = IC4H8+IC11H22CHO+H2O2	5.000E+12	0	1.770E+04
HMNO1-4+HO2 = TC4H8CHO+BC11H22+H2O2	5.000E+12	0	1.770E+04
HMNO1-4+HO2 = IC4H8+HC7COC4H8+H2O2	5.000E+12	0	1.770E+04
HMNO2-3+HO2 = TC4H9CO+AC11H22+H2O2	5.000E+12	0	1.770E+04
HMNO2-3+HO2 = IC7CHO+DC8H17+H2O2	5.000E+12	0	1.770E+04
HMNO2-4+HO2 = TC4H9CO+BC11H22+H2O2 	5.000E+12	0	1.770E+04
HMNO2-4+HO2 = IC8H16+DC7H15CO+H2O2	5.000E+12	0	1.770E+04
HMNO2-5+HO2 = TC4H9+IC3H6CO+JC8H16+H2O2	5.000E+12	0	1.770E+04
HMNO2-6+HO2 = TC4H9CO+IC4H8+PC7H14+H2O2	5.000E+12	0	1.770E+04
HMNO2-6+HO2=IC8H16+C2H3CHO+NEOC5H11+H2O2	5.000E+12	0	1.770E+04
HMNO2-7+HO2 =TC4H9CO+IC4H8+OC7H14+H2O2	5.000E+12	0	1.770E+04
HMNO2-7+HO2 = IC8H16+C3H6+TC4H9CO+H2O2	5.000E+12	0	1.770E+04
HMNO3-3+HO2 = DC15H30+HCO+H2O2	5.000E+12	0	1.770E+04
HMNO3-3+HO2 = IC7H13CHO+DC8H17+H2O2	5.000E+12	0	1.770E+04
HMNO3-4+HO2 = EC15H30+HCO+H2O2	5.000E+12	0	1.770E+04
HMNO3-4+HO2 = NEOC5H11+IC10H19CHO+H2O2	5.000E+12	0	1.770E+04
HMNO3-5+HO2=TC4H9+IC3H5CHO+JC8H16+H2O2	5.000E+12	0	1.770E+04
HMNO3-6+HO2=NEOC5H11+IC3H5CHO+PC7H14+H2O2	5.000E+12	0	1.770E+04
HMNO3-6+HO2=JC8H16+C2H3CHO+NEOC5H11+H2O2	5.000E+12	0	1.770E+04
HMNO3-7+HO2 = JC8H16+C3H6+TC4H9CO+H2O2	5.000E+12	0	1.770E+04
HMNO3-7+HO2=NEOC5H11+IC3H5CHO+OC7H14+H2O2	5.000E+12	0	1.770E+04
HMNO4-5+HO2 = CC8H17+IC7H14CO+H2O2	5.000E+12	0	1.770E+04
HMNO4-6+HO2=NEOC5H11+IC3H6CO+PC7H14+H2O2	5.000E+12	0	1.770E+04
HMNO4-6+HO2=NEOC5H11+IC4H7+C2H3CHO+TC4H9+H2O2	5.000E+12	0	1.770E+04
HMNO4-7+HO2=NEOC5H11+IC3H6CO+OC7H14+H2O2	5.000E+12	0	1.770E+04
HMNO4-7+HO2 = CC11H22+TC4H9CO+H2O2	5.000E+12	0	1.770E+04
HMNO4-8+HO2=NEOC5H11+IC3H6CO+C3H6+IC4H8+H2O2	5.000E+12	0	1.770E+04
HMNO4-8+HO2 = CC11H22+TC4H8CHO+H2O2	5.000E+12	0	1.770E+04
HMNO5-6+HO2 = CC8H17+IC7H13CHO+H2O2	5.000E+12	0	1.770E+04
HMNO5-7+HO2 = TC4COC3H5+CC8H17+H2O2	5.000E+12	0	1.770E+04
HMNO5-8+HO2 = AC12H24+IC3H6CHO+H2O2	5.000E+12	0	1.770E+04
HMNO6-7+HO2 = DC11H22+TC4H9CO+H2O2	5.000E+12	0	1.770E+04
HMNO6-7+HO2 = CC9H19+NEC6H11CHO+H2O2	5.000E+12	0	1.770E+04
HMNO6-8+HO2 =CC9H19+C2H3CHO+IC4H8+H2O2	5.000E+12	0	1.770E+04
HMNO6-8+HO2 = DC11H22+TC4H8CHO+H2O2	5.000E+12	0	1.770E+04
HMNO7-8+HO2 = CC9H19+NFC6H11CHO+H2O2	5.000E+12	0	1.770E+04
HMNO7-8+HO2 =CC9H19+CH3CHCO+IC4H8+H2O2	5.000E+12	0	1.770E+04
HMNO8-8+HO2 = FC12H25+IC3H5CHO+H2O2	1.000E+13	0	1.770E+04
!
HMNO1-1+OH =  IC3H5CHO+AC12H25+H2O	5.000E+12	0	0.000E+00
HMNO1-2+OH =  HCO+BC15H30+H2O	2.500E+12	0	0.000E+00
HMNO1-2+OH =  IC4H8+AC11H23CO+H2O	2.500E+12	0	0.000E+00
HMNO1-3+OH =  TC4H8CHO+AC11H22+H2O	2.500E+12	0	0.000E+00
HMNO1-3+OH =  IC4H8+IC11H22CHO+H2O	2.500E+12	0	0.000E+00
HMNO1-4+OH =  TC4H8CHO+BC11H22+H2O	2.500E+12	0	0.000E+00
HMNO1-4+OH =  IC4H8+HC7COC4H8+H2O	2.500E+12	0	0.000E+00
HMNO2-3+OH =  TC4H9CO+AC11H22+H2O	2.500E+12	0	0.000E+00
HMNO2-3+OH =  IC7CHO+DC8H17+H2O	2.500E+12	0	0.000E+00
HMNO2-4+OH =  TC4H9CO+BC11H22+H2O	2.500E+12	0	0.000E+00
HMNO2-4+OH =  IC8H16+DC7H15CO+H2O	2.500E+12	0	0.000E+00
HMNO2-5+OH =  TC4H9+IC3H6CO+JC8H16+H2O	2.500E+12	0	0.000E+00
HMNO2-6+OH =  TC4H9CO+IC4H8+PC7H14+H2O	2.500E+12	0	0.000E+00
HMNO2-6+OH =  IC8H16+C2H3CHO+NEOC5H11+H2O	2.500E+12	0	0.000E+00
HMNO2-7+OH =  TC4H9CO+IC4H8+OC7H14+H2O	2.500E+12	0	0.000E+00
HMNO2-7+OH =  IC8H16+C3H6+TC4H9CO+H2O	2.500E+12	0	0.000E+00
HMNO3-3+OH =  DC15H30+HCO+H2O	2.500E+12	0	0.000E+00
HMNO3-3+OH =  IC7H13CHO+DC8H17+H2O	2.500E+12	0	0.000E+00
HMNO3-4+OH =  EC15H30+HCO+H2O	2.500E+12	0	0.000E+00
HMNO3-4+OH =  NEOC5H11+IC10H19CHO+H2O	2.500E+12	0	0.000E+00
HMNO3-5+OH = TC4H9+IC3H5CHO+JC8H16+H2O	2.500E+12	0	0.000E+00
HMNO3-6+OH=NEOC5H11+IC3H5CHO+PC7H14+H2O	2.500E+12	0	0.000E+00
HMNO3-6+OH=JC8H16+C2H3CHO+NEOC5H11+H2O	2.500E+12	0	0.000E+00
HMNO3-7+OH =  JC8H16+C3H6+TC4H9CO+H2O	2.500E+12	0	0.000E+00
HMNO3-7+OH=NEOC5H11+IC3H5CHO+OC7H14+H2O	2.500E+12	0	0.000E+00
HMNO4-5+OH =  CC8H17+IC7H14CO+H2O	2.500E+12	0	0.000E+00
HMNO4-6+OH=NEOC5H11+IC3H6CO+PC7H14+H2O	2.500E+12	0	0.000E+00
HMNO4-6+OH=NEOC5H11+IC4H7+C2H3CHO+TC4H9+H2O	2.500E+12	0	0.000E+00
HMNO4-7+OH=NEOC5H11+IC3H6CO+OC7H14+H2O	2.500E+12	0	0.000E+00
HMNO4-7+OH =  CC11H22+TC4H9CO+H2O	2.500E+12	0	0.000E+00
HMNO4-8+OH=NEOC5H11+IC3H6CO+C3H6+IC4H8+H2O	2.500E+12	0	0.000E+00
HMNO4-8+OH =  CC11H22+TC4H8CHO+H2O	2.500E+12	0	0.000E+00
HMNO5-6+OH =  CC8H17+IC7H13CHO+H2O	2.500E+12	0	0.000E+00
HMNO5-7+OH =  TC4COC3H5+CC8H17+H2O 	2.500E+12	0	0.000E+00
HMNO5-8+OH =  AC12H24+IC3H6CHO+H2O	2.500E+12	0	0.000E+00
HMNO6-7+OH =  DC11H22+TC4H9CO+H2O	2.500E+12	0	0.000E+00
HMNO6-7+OH =  CC9H19+NEC6H11CHO+H2O	2.500E+12	0	0.000E+00
HMNO6-8+OH =  CC9H19+C2H3CHO+IC4H8+H2O	2.500E+12	0	0.000E+00
HMNO6-8+OH =  DC11H22+TC4H8CHO+H2O 	2.500E+12	0	0.000E+00
HMNO7-8+OH =  CC9H19+NFC6H11CHO+H2O	2.500E+12	0	0.000E+00
HMNO7-8+OH =  CC9H19+CH3CHCO+IC4H8+H2O	2.500E+12	0	0.000E+00
HMNO8-8+OH =  FC12H25+IC3H5CHO+H2O	5.000E+12	0	0.000E+00
!
!
!Class31 - O2QOOH = HO2 + EROOH
HMNOOH1-4O2 = C16H31-AD1OOH + HO2	7.000E+10	0.71	3.010E+04
HMNOOH2-4O2 = C16H31-AD2OOH + HO2	7.000E+10	0.71	3.010E+04
HMNOOH2-5O2 = C16H31-AD2OOH + HO2	5.620E+10	0.58	2.960E+04
HMNOOH2-5O2 = C16H31-BD2OOH + HO2	4.080E+09	0.89	2.950E+04
HMNOOH2-5O2 = C16H31-CD2OOH + HO2	5.620E+10	0.58	2.960E+04
HMNOOH2-6O2 = C16H31-BD2OOH + HO2	2.520E+08	1.32	2.790E+04
HMNOOH2-7O2 = C16H31-CD2OOH + HO2	7.000E+10	0.71	3.010E+04
HMNOOH3-4O2 = C16H31-AD3OOH + HO2	7.000E+10	0.71	3.010E+04
HMNOOH3-5O2 = C16H31-AD3OOH + HO2	5.620E+10	0.58	2.960E+04
HMNOOH3-5O2 = C16H31-BD3OOH + HO2	4.080E+09	0.89	2.950E+04
HMNOOH3-5O2 = C16H31-CD3OOH + HO2	5.620E+10	0.58	2.960E+04
HMNOOH3-6O2 = C16H31-BD3OOH + HO2	2.520E+08	1.32	2.790E+04
HMNOOH3-7O2 = C16H31-CD3OOH + HO2	7.000E+10	0.71	3.010E+04
HMNOOH4-5O2 = C16H31-BD4OOH + HO2	4.080E+09	0.89	2.950E+04
HMNOOH4-5O2 = C16H31-CD4OOH + HO2	5.620E+10	0.58	2.960E+04
HMNOOH4-6O2 = C16H31-BD4OOH + HO2	2.520E+08	1.32	2.790E+04
HMNOOH4-7O2 = C16H31-CD4OOH + HO2	7.000E+10	0.71	3.010E+04
HMNOOH6-4O2 = C16H31-AD6OOH + HO2	7.000E+10	0.71	3.010E+04
HMNOOH6-5O2 = C16H31-AD6OOH + HO2	5.620E+10	0.58	2.960E+04
HMNOOH6-5O2 = C16H31-CD6OOH + HO2	5.620E+10	0.58	2.960E+04
HMNOOH7-4O2 = C16H31-AD7OOH + HO2	7.000E+10	0.71	3.010E+04
HMNOOH7-5O2 = C16H31-AD7OOH + HO2	5.620E+10	0.58	2.960E+04
HMNOOH7-5O2 = C16H31-BD7OOH + HO2	4.080E+09	0.89	2.950E+04
HMNOOH8-4O2 = C16H31-AD8OOH + HO2	7.000E+10	0.71	3.010E+04
HMNOOH8-5O2 = C16H31-AD8OOH + HO2	5.620E+10	0.58	2.960E+04
HMNOOH8-5O2 = C16H31-BD8OOH + HO2	4.080E+09	0.89	2.950E+04
HMNOOH8-5O2 = C16H31-CD8OOH + HO2	5.620E+10	0.58	2.960E+04
HMNOOH8-6O2 = C16H31-BD8OOH + HO2	2.520E+08	1.32	2.790E+04
HMNOOH8-7O2 = C16H31-CD8OOH + HO2	7.000E+10	0.71	3.010E+04
!
!
!Class32 - O2QOOH = P(OOH)2
HMNOOH1-1O2 = C16H31Q11-1	3.57E+06	1.6	2.10E+04
HMNOOH1-1O2 = C16H31Q11-2	1.36E+07	1.3	1.82E+04
HMNOOH1-2O2 = C16H31Q12-1	2.88E+07	1.4	2.08E+04
HMNOOH1-2O2 = C16H31Q12-3	2.88E+07	1.4	2.08E+04
HMNOOH1-2O2 = C16H31Q12-4	7.03E+10	0.2	1.85E+04
HMNOOH1-3O2 = C16H31Q13-1	5.88E+05	1.5	1.99E+04
HMNOOH1-3O2 = C16H31Q13-2	1.36E+07	1.3	1.82E+04
HMNOOH1-3O2 = C16H31Q13-3	3.57E+06	1.6	2.10E+04
HMNOOH1-3O2 = C16H31Q13-4	1.36E+07	1.3	1.82E+04
HMNOOH1-3O2 = C16H31Q13-5	1.71E+06	1.2	1.38E+04
HMNOOH1-4O2 = C16H31Q14-1	5.88E+05	1.5	1.99E+04
HMNOOH1-4O2 = C16H31Q14-2	7.03E+10	0.2	1.85E+04
HMNOOH1-4O2 = C16H31Q14-3	2.88E+07	1.4	2.08E+04
HMNOOH1-4O2 = C16H31Q14-5	7.45E+09	0.6	2.73E+04
HMNOOH1-4O2 = C16H31Q14-6	1.44E+07	1.4	2.08E+04
HMNOOH1-4O2 = C16H31Q14-7	7.03E+10	0.2	1.85E+04
HMNOOH2-1O2 = C16H31Q12-1	7.13E+06	1.6	2.10E+04
HMNOOH2-1O2 = C16H31Q12-3	5.88E+05	1.5	1.99E+04
HMNOOH2-1O2 = C16H31Q12-4	2.60E+06	1	1.82E+04
HMNOOH2-3O2 = C16H31Q23-1	8.82E+05	1.5	1.99E+04
HMNOOH2-3O2 = C16H31Q23-3	1.19E+06	1.6	2.10E+04
HMNOOH2-3O2 = C16H31Q23-4	1.36E+07	1.3	1.82E+04
HMNOOH2-3O2 = C16H31Q23-5	1.71E+06	1.2	1.38E+04
HMNOOH2-4O2 = C16H31Q24-1	8.82E+05	1.5	1.99E+04
HMNOOH2-4O2 = C16H31Q24-3	2.88E+07	1.4	2.08E+04
HMNOOH2-4O2 = C16H31Q24-5	7.45E+09	0.6	2.73E+04
HMNOOH2-4O2 = C16H31Q24-6	1.44E+07	1.4	2.08E+04
HMNOOH2-4O2 = C16H31Q24-7	7.03E+10	0.2	1.85E+04
HMNOOH2-5O2 = C16H31Q25-3	2.47E+06	1.5	2.00E+04
HMNOOH2-5O2 = C16H31Q25-4	6.51E+09	0.7	3.01E+04
HMNOOH2-5O2 = C16H31Q25-6	1.51E+09	1.2	3.35E+04
HMNOOH2-5O2 = C16H31Q25-7	6.51E+09	0.7	3.01E+04
HMNOOH2-5O2 = C16H31Q25-8	3.70E+06	1.5	2.00E+04
HMNOOH2-6O2 = C16H31Q26-3	5.88E+05	1.5	1.99E+04
HMNOOH2-6O2 = C16H31Q26-4	1.36E+07	1.3	1.82E+04
HMNOOH2-6O2 = C16H31Q26-5	2.31E+09	0.8	2.71E+04
HMNOOH2-6O2 = C16H31Q26-7	1.36E+07	1.3	1.82E+04
HMNOOH2-7O2 = C16H31Q27-3	5.88E+05	1.5	1.99E+04
HMNOOH2-7O2 = C16H31Q27-4	7.03E+10	0.2	1.85E+04
HMNOOH2-7O2 = C16H31Q27-5	7.45E+09	0.6	2.73E+04
HMNOOH2-7O2 = C16H31Q27-6	1.44E+07	1.4	2.08E+04
HMNOOH2-7O2 = C16H31Q27-8	4.32E+07	1.4	2.08E+04
HMNOOH3-1O2 = C16H31Q13-1	7.13E+06	1.6	2.10E+04
HMNOOH3-1O2 = C16H31Q13-2	1.36E+07	1.3	1.82E+04
HMNOOH3-1O2 = C16H31Q13-3	2.94E+05	1.5	1.99E+04
HMNOOH3-1O2 = C16H31Q13-4	2.60E+06	1	1.82E+04
HMNOOH3-2O2 = C16H31Q23-1	4.32E+07	1.4	2.08E+04
HMNOOH3-2O2 = C16H31Q23-3	1.44E+07	1.4	2.08E+04
HMNOOH3-2O2 = C16H31Q23-4	7.03E+10	0.2	1.85E+04
HMNOOH3-3O2 = C16H31Q33-2	1.36E+07	1.3	1.82E+04
HMNOOH3-3O2 = C16H31Q33-4	1.36E+07	1.3	1.82E+04
HMNOOH3-3O2 = C16H31Q33-5	1.71E+06	1.2	1.38E+04
HMNOOH3-4O2 = C16H31Q34-2	7.03E+10	0.2	1.85E+04
HMNOOH3-4O2 = C16H31Q34-3	1.44E+07	1.4	2.08E+04
HMNOOH3-4O2 = C16H31Q34-5	7.45E+09	0.6	2.73E+04
HMNOOH3-4O2 = C16H31Q34-6	1.44E+07	1.4	2.08E+04
HMNOOH3-4O2 = C16H31Q34-7	7.03E+10	0.2	1.85E+04
HMNOOH3-5O2 = C16H31Q35-3	1.23E+06	1.5	2.00E+04
HMNOOH3-5O2 = C16H31Q35-4	6.51E+09	0.7	3.01E+04
HMNOOH3-5O2 = C16H31Q35-6	1.51E+09	1.2	3.35E+04
HMNOOH3-5O2 = C16H31Q35-7	3.52E+10	0.2	1.85E+04
HMNOOH3-5O2 = C16H31Q35-8	3.70E+06	1.5	2.00E+04
HMNOOH3-6O2 = C16H31Q36-2	2.60E+06	1	1.82E+04
HMNOOH3-6O2 = C16H31Q36-3	2.94E+05	1.5	1.99E+04
HMNOOH3-6O2 = C16H31Q36-4	1.36E+07	1.3	1.82E+04
HMNOOH3-6O2 = C16H31Q36-5	6.93E+09	0.8	2.71E+04
HMNOOH3-6O2 = C16H31Q36-7	1.36E+07	1.3	1.82E+04
HMNOOH3-7O2 = C16H31Q37-3	2.94E+05	1.5	1.99E+04
HMNOOH3-7O2 = C16H31Q37-4	7.03E+10	0.2	1.85E+04
HMNOOH3-7O2 = C16H31Q37-5	7.45E+09	0.6	2.73E+04
HMNOOH3-7O2 = C16H31Q37-6	1.44E+07	1.4	2.08E+04
HMNOOH3-7O2 = C16H31Q37-8	4.32E+07	1.4	2.08E+04
HMNOOH4-1O2 = C16H31Q14-1	7.13E+06	1.6	2.10E+04
HMNOOH4-1O2 = C16H31Q14-2	1.36E+07	1.3	1.82E+04
HMNOOH4-1O2 = C16H31Q14-3	5.88E+05	1.5	1.99E+04
HMNOOH4-2O2 = C16H31Q24-1	4.32E+07	1.4	2.08E+04
HMNOOH4-2O2 = C16H31Q24-3	2.88E+07	1.4	2.08E+04
HMNOOH4-2O2 = C16H31Q24-6	2.94E+05	1.5	1.99E+04
HMNOOH4-3O2 = C16H31Q34-2	1.36E+07	1.3	1.82E+04
HMNOOH4-3O2 = C16H31Q34-3	3.57E+06	1.6	2.10E+04
HMNOOH4-3O2 = C16H31Q34-5	1.71E+06	1.2	1.38E+04
HMNOOH4-3O2 = C16H31Q34-6	2.94E+05	1.5	1.99E+04
HMNOOH4-3O2 = C16H31Q34-7	2.60E+06	1	1.82E+04
HMNOOH4-5O2 = C16H31Q45-3	2.47E+06	1.5	2.00E+04
HMNOOH4-5O2 = C16H31Q45-6	1.51E+09	1.2	3.35E+04
HMNOOH4-5O2 = C16H31Q45-7	6.51E+09	0.7	3.01E+04
HMNOOH4-5O2 = C16H31Q45-8	3.70E+06	1.5	2.00E+04
HMNOOH4-6O2 = C16H31Q46-2	2.60E+06	1	1.82E+04
HMNOOH4-6O2 = C16H31Q46-3	5.88E+05	1.5	1.99E+04
HMNOOH4-6O2 = C16H31Q46-5	2.31E+09	0.8	2.71E+04
HMNOOH4-6O2 = C16H31Q46-7	1.36E+07	1.3	1.82E+04
HMNOOH4-7O2 = C16H31Q47-3	5.88E+05	1.5	1.99E+04
HMNOOH4-7O2 = C16H31Q47-5	7.45E+09	0.6	2.73E+04
HMNOOH4-7O2 = C16H31Q47-6	1.44E+07	1.4	2.08E+04
HMNOOH4-7O2 = C16H31Q47-8	4.32E+07	1.4	2.08E+04
HMNOOH4-8O2 = C16H31Q48-5	1.71E+06	1.2	1.38E+04
HMNOOH4-8O2 = C16H31Q48-6	2.94E+05	1.5	1.99E+04
HMNOOH4-8O2 = C16H31Q48-7	1.36E+07	1.3	1.82E+04
HMNOOH4-8O2 = C16H31Q48-8	7.13E+06	1.6	2.10E+04
HMNOOH5-2O2 = C16H31Q25-1	4.32E+07	1.4	2.08E+04
HMNOOH5-2O2 = C16H31Q25-3	2.88E+07	1.4	2.08E+04
HMNOOH5-2O2 = C16H31Q25-4	7.03E+10	0.2	1.85E+04
HMNOOH5-2O2 = C16H31Q25-6	2.94E+05	1.5	1.99E+04
HMNOOH5-3O2 = C16H31Q35-2	1.36E+07	1.3	1.82E+04
HMNOOH5-3O2 = C16H31Q35-3	3.57E+06	1.6	2.10E+04
HMNOOH5-3O2 = C16H31Q35-4	1.36E+07	1.3	1.82E+04
HMNOOH5-3O2 = C16H31Q35-6	2.94E+05	1.5	1.99E+04
HMNOOH5-3O2 = C16H31Q35-7	2.60E+06	1	1.82E+04
HMNOOH5-4O2 = C16H31Q45-2	7.03E+10	0.2	1.85E+04
HMNOOH5-4O2 = C16H31Q45-3	2.88E+07	1.4	2.08E+04
HMNOOH5-4O2 = C16H31Q45-6	1.44E+07	1.4	2.08E+04
HMNOOH5-4O2 = C16H31Q45-7	7.03E+10	0.2	1.85E+04
HMNOOH5-4O2 = C16H31Q45-8	8.82E+05	1.5	1.99E+04
HMNOOH5-6O2 = C16H31Q56-2	2.60E+06	1	1.82E+04
HMNOOH5-6O2 = C16H31Q56-3	5.88E+05	1.5	1.99E+04
HMNOOH5-6O2 = C16H31Q56-4	1.36E+07	1.3	1.82E+04
HMNOOH5-6O2 = C16H31Q56-7	1.36E+07	1.3	1.82E+04
HMNOOH5-6O2 = C16H31Q56-8	8.82E+05	1.5	1.99E+04
HMNOOH5-7O2 = C16H31Q57-3	5.88E+05	1.5	1.99E+04
HMNOOH5-7O2 = C16H31Q57-4	7.03E+10	0.2	1.85E+04
HMNOOH5-7O2 = C16H31Q57-6	1.44E+07	1.4	2.08E+04
HMNOOH5-7O2 = C16H31Q57-8	4.32E+07	1.4	2.08E+04
HMNOOH5-8O2 = C16H31Q58-4	2.60E+06	1	1.82E+04
HMNOOH5-8O2 = C16H31Q58-6	2.94E+05	1.5	1.99E+04
HMNOOH5-8O2 = C16H31Q58-7	1.36E+07	1.3	1.82E+04
HMNOOH5-8O2 = C16H31Q58-8	7.13E+06	1.6	2.10E+04
HMNOOH6-2O2 = C16H31Q26-1	4.32E+07	1.4	2.08E+04
HMNOOH6-2O2 = C16H31Q26-3	2.88E+07	1.4	2.08E+04
HMNOOH6-2O2 = C16H31Q26-4	7.03E+10	0.2	1.85E+04
HMNOOH6-3O2 = C16H31Q36-2	1.36E+07	1.3	1.82E+04
HMNOOH6-3O2 = C16H31Q36-3	3.57E+06	1.6	2.10E+04
HMNOOH6-3O2 = C16H31Q36-4	1.36E+07	1.3	1.82E+04
HMNOOH6-3O2 = C16H31Q36-5	1.71E+06	1.2	1.38E+04
HMNOOH6-3O2 = C16H31Q36-7	2.60E+06	1	1.82E+04
HMNOOH6-4O2 = C16H31Q46-2	7.03E+10	0.2	1.85E+04
HMNOOH6-4O2 = C16H31Q46-3	2.88E+07	1.4	2.08E+04
HMNOOH6-4O2 = C16H31Q46-5	7.45E+09	0.6	2.73E+04
HMNOOH6-4O2 = C16H31Q46-7	7.03E+10	0.2	1.85E+04
HMNOOH6-5O2 = C16H31Q56-3	2.47E+06	1.5	2.00E+04
HMNOOH6-5O2 = C16H31Q56-4	6.51E+09	0.7	3.01E+04
HMNOOH6-5O2 = C16H31Q56-7	6.51E+09	0.7	3.01E+04
HMNOOH6-5O2 = C16H31Q56-8	3.70E+06	1.5	2.00E+04
HMNOOH6-7O2 = C16H31Q67-4	7.03E+10	0.2	1.85E+04
HMNOOH6-7O2 = C16H31Q67-5	7.45E+09	0.6	2.73E+04
HMNOOH6-7O2 = C16H31Q67-8	4.32E+07	1.4	2.08E+04
HMNOOH6-8O2 = C16H31Q68-4	2.60E+06	1	1.82E+04
HMNOOH6-8O2 = C16H31Q68-5	1.71E+06	1.2	1.38E+04
HMNOOH6-8O2 = C16H31Q68-7	1.36E+07	1.3	1.82E+04
HMNOOH6-8O2 = C16H31Q68-8	7.13E+06	1.6	2.10E+04
HMNOOH7-2O2 = C16H31Q27-1	4.32E+07	1.4	2.08E+04
HMNOOH7-2O2 = C16H31Q27-3	2.88E+07	1.4	2.08E+04
HMNOOH7-2O2 = C16H31Q27-4	7.03E+10	0.2	1.85E+04
HMNOOH7-2O2 = C16H31Q27-6	2.94E+05	1.5	1.99E+04
HMNOOH7-3O2 = C16H31Q37-2	1.36E+07	1.3	1.82E+04
HMNOOH7-3O2 = C16H31Q37-3	3.57E+06	1.6	2.10E+04
HMNOOH7-3O2 = C16H31Q37-4	1.36E+07	1.3	1.82E+04
HMNOOH7-3O2 = C16H31Q37-5	1.71E+06	1.2	1.38E+04
HMNOOH7-3O2 = C16H31Q37-6	2.94E+05	1.5	1.99E+04
HMNOOH7-4O2 = C16H31Q47-2	7.03E+10	0.2	1.85E+04
HMNOOH7-4O2 = C16H31Q47-3	2.88E+07	1.4	2.08E+04
HMNOOH7-4O2 = C16H31Q47-5	7.45E+09	0.6	2.73E+04
HMNOOH7-4O2 = C16H31Q47-6	1.44E+07	1.4	2.08E+04
HMNOOH7-4O2 = C16H31Q47-8	8.82E+05	1.5	1.99E+04
HMNOOH7-5O2 = C16H31Q57-3	2.47E+06	1.5	2.00E+04
HMNOOH7-5O2 = C16H31Q57-4	6.51E+09	0.7	3.01E+04
HMNOOH7-5O2 = C16H31Q57-6	1.51E+09	1.2	3.35E+04
HMNOOH7-5O2 = C16H31Q57-8	3.70E+06	1.5	2.00E+04
HMNOOH7-6O2 = C16H31Q67-4	1.36E+07	1.3	1.82E+04
HMNOOH7-6O2 = C16H31Q67-5	2.31E+09	0.8	2.71E+04
HMNOOH7-6O2 = C16H31Q67-8	8.82E+05	1.5	1.99E+04
HMNOOH7-8O2 = C16H31Q78-4	2.60E+06	1	1.82E+04
HMNOOH7-8O2 = C16H31Q78-5	1.71E+06	1.2	1.38E+04
HMNOOH7-8O2 = C16H31Q78-6	2.94E+05	1.5	1.99E+04
HMNOOH7-8O2 = C16H31Q78-8	7.13E+06	1.6	2.10E+04
HMNOOH8-4O2 = C16H31Q48-2	7.03E+10	0.2	1.85E+04
HMNOOH8-4O2 = C16H31Q48-3	2.88E+07	1.4	2.08E+04
HMNOOH8-4O2 = C16H31Q48-5	7.45E+09	0.6	2.73E+04
HMNOOH8-4O2 = C16H31Q48-6	1.44E+07	1.4	2.08E+04
HMNOOH8-4O2 = C16H31Q48-7	7.03E+10	0.2	1.85E+04
HMNOOH8-4O2 = C16H31Q48-8	5.88E+05	1.5	1.99E+04
HMNOOH8-5O2 = C16H31Q58-3	2.47E+06	1.5	2.00E+04
HMNOOH8-5O2 = C16H31Q58-4	6.51E+09	0.7	3.01E+04
HMNOOH8-5O2 = C16H31Q58-6	1.51E+09	1.2	3.35E+04
HMNOOH8-5O2 = C16H31Q58-7	6.51E+09	0.7	3.01E+04
HMNOOH8-5O2 = C16H31Q58-8	2.47E+06	1.5	2.00E+04
HMNOOH8-6O2 = C16H31Q68-4	1.36E+07	1.3	1.82E+04
HMNOOH8-6O2 = C16H31Q68-5	2.31E+09	0.8	2.71E+04
HMNOOH8-6O2 = C16H31Q68-7	1.36E+07	1.3	1.82E+04
HMNOOH8-6O2 = C16H31Q68-8	5.88E+05	1.5	1.99E+04
HMNOOH8-7O2 = C16H31Q78-4	7.03E+10	0.2	1.85E+04
HMNOOH8-7O2 = C16H31Q78-5	7.45E+09	0.6	2.73E+04
HMNOOH8-7O2 = C16H31Q78-6	1.44E+07	1.4	2.08E+04
HMNOOH8-7O2 = C16H31Q78-8	2.88E+07	1.4	2.08E+04
HMNOOH8-8O2 = C16H31Q88-5	1.71E+06	1.2	1.38E+04
HMNOOH8-8O2 = C16H31Q88-7	1.36E+07	1.3	1.82E+04
HMNOOH8-8O2 = C16H31Q88-8	3.57E+06	1.6	2.10E+04
!
!
!Class - 33 P(OOH)2 decomposition 
C16H31Q14-5 = C16H31-AD1OOH + HO2	3.910E+09	9.00E-01	1.490E+04
C16H31Q24-5 = C16H31-AD2OOH + HO2	3.910E+09	9.00E-01	1.490E+04
C16H31Q25-4 = C16H31-AD2OOH + HO2	1.550E+11	3.50E-01	1.520E+04
C16H31Q25-6 = C16H31-BD2OOH + HO2	1.945E+13	-1.50E-01	1.550E+04
C16H31Q25-7 = C16H31-CD2OOH + HO2	1.550E+11	3.50E-01	1.520E+04
C16H31Q26-5 = C16H31-BD2OOH + HO2	4.190E+09	9.20E-01	1.450E+04
C16H31Q27-5 = C16H31-CD2OOH + HO2	3.910E+09	9.00E-01	1.490E+04
C16H31Q34-5 = C16H31-AD3OOH + HO2	3.910E+09	9.00E-01	1.490E+04
C16H31Q35-4 = C16H31-AD3OOH + HO2	1.550E+11	3.50E-01	1.520E+04
C16H31Q35-6 = C16H31-BD3OOH + HO2	1.945E+13	-1.50E-01	1.550E+04
C16H31Q35-7 = C16H31-CD3OOH + HO2	1.550E+11	3.50E-01	1.520E+04
C16H31Q36-5 = C16H31-BD3OOH + HO2	4.190E+09	9.20E-01	1.450E+04
C16H31Q37-5 = C16H31-CD3OOH + HO2	3.910E+09	9.00E-01	1.490E+04
C16H31Q45-6 = C16H31-BD4OOH + HO2	1.945E+13	-1.50E-01	1.550E+04
C16H31Q45-7 = C16H31-CD4OOH + HO2	1.550E+11	3.50E-01	1.520E+04
C16H31Q46-5 = C16H31-BD4OOH + HO2	4.190E+09	9.20E-01	1.450E+04
C16H31Q47-5 = C16H31-AD7OOH + HO2	3.910E+09	9.00E-01	1.490E+04
C16H31Q47-5 = C16H31-CD4OOH + HO2	3.910E+09	9.00E-01	1.490E+04
C16H31Q56-4 = C16H31-AD6OOH + HO2	1.550E+11	3.50E-01	1.520E+04
C16H31Q56-7 = C16H31-CD6OOH + HO2	1.550E+11	3.50E-01	1.520E+04
C16H31Q67-5 = C16H31-CD6OOH + HO2	3.910E+09	9.00E-01	1.490E+04
C16H31Q57-4 = C16H31-AD7OOH + HO2	1.550E+11	3.50E-01	1.520E+04
C16H31Q57-6 = C16H31-BD7OOH + HO2	1.945E+13	-1.50E-01	1.550E+04
C16H31Q67-5 = C16H31-BD7OOH + HO2	4.190E+09	9.20E-01	1.450E+04
C16H31Q48-5 = C16H31-AD8OOH + HO2	3.910E+09	9.00E-01	1.490E+04
C16H31Q58-4 = C16H31-AD8OOH + HO2	1.550E+11	3.50E-01	1.520E+04
C16H31Q58-6 = C16H31-BD8OOH + HO2	1.945E+13	-1.50E-01	1.550E+04
C16H31Q58-7 = C16H31-CD8OOH + HO2	1.550E+11	3.50E-01	1.520E+04
C16H31Q68-5 = C16H31-BD8OOH + HO2	4.190E+09	9.20E-01	1.450E+04
C16H31Q78-5 = C16H31-CD8OOH + HO2	3.910E+09	9.00E-01	1.490E+04
!
C16H31Q11-1 = CH2O + C15H29AD2OOH + OH		3.08E+13	0	18480
C16H31Q11-2 = CH2O + C15H29BD2OOH + OH		3.08E+13	0	25700
C16H31Q12-1 = CH2O + C15H29AD3OOH + OH		3.08E+13	0	19970
C16H31Q12-3 = IC5KETAB + AC11H22 + OH		3.08E+13	0	9200
C16H31Q12-4 = IC5KETAB + BC11H22 + OH		3.08E+13	0	14570
C16H31Q13-2 = CH2O + C15H29CD2OOH + OH		3.08E+13	0	24230
C16H31Q13-2 = CH2O + AC15H29BD4OOH + OH		3.08E+13	0	25340
C16H31Q13-3 = CH2O + C15H29CD1OOH + OH		3.08E+13	0	18500
C16H31Q13-4 = CH2O + C15H29DD1OOH + OH		3.08E+13	0	21170
C16H31Q14-2 = CH2O + C15H29BD5OOH + OH		3.08E+13	0	25340
C16H31Q14-3 = DC7H15CHO + C8H15DD1OOH + OH		3.08E+13	0	12520
C16H31Q14-6 = C9KET1-4 + PC7H14 + OH		3.08E+13	0	15130
C16H31Q14-7 = C9KET1-4 + OC7H14 + OH		3.08E+13	0	16940
C16H31Q23-3 = TC4H9CHO + C11H21AD2OOH + OH		3.08E+13	0	11780
C16H31Q23-3 = CH2O + C15H29CDA2OOH + OH		3.08E+13	0	19470
C16H31Q23-4 = CH2O + C15H29CDB2OOH + OH		3.08E+13	0	21410
C16H31Q24-3 = DC7H15CHO + C8H15CDA2OOH + OH		3.08E+13	0	13460
C16H31Q24-3 = TC4H9CHO + C11H21AD3OOH + OH		3.08E+13	0	12240
C16H31Q24-6 = C9KET1-3 + PC7H14 + OH		3.08E+13	0	10240
C16H31Q24-7 = C9KET1-3 + OC7H14 + OH		3.08E+13	0	12050
C16H31Q26-4 = CH2O + C15H29DD2OOH + OH		3.08E+13	0	24430
C16H31Q26-7 = CH2O + C15H29ED2OOH + OH		3.08E+13	0	23900
C16H31Q27-4 = TC4H9CHO + C11H21DD2OOH + OH		3.08E+13	0	18020
C16H31Q27-6 = TC4H9CHO + C11H21ED2OOH + OH		3.08E+13	0	12780
C16H31Q27-8 = IC12KET1-5 + IC4H8 + OH		3.08E+13	0	9620
C16H31Q13-1 = CH2O + C15H29AD4OOH + OH		3.08E+13	0	19110
C16H31Q23-1 = IC12KET1-2 + IC4H8 + OH		3.08E+13	0	16370
C16H31Q33-2 = CH2O + C15H29CD4OOH + OH		3.08E+13	0	24010
C16H31Q33-4 = CH2O + C15H29CDB4OOH + OH		3.08E+13	0	20950
C16H31Q34-2 = CH2O + C15H29BD4OOH + OH		3.08E+13	0	24470
C16H31Q34-3 = DC7H15CHO + C8H15CD3OOH + OH		3.08E+13	0	13000
C16H31Q34-3 = CH2O + C15H29CDA4OOH + OH		3.08E+13	0	19470
C16H31Q34-6 = C9KET1-2 + PC7H14 + OH		3.08E+13	0	14530
C16H31Q34-7 = C9KET1-2 +OC7H14 + OH		3.08E+13	0	16340
C16H31Q36-4 = CH2O + C15H29CD6OOH + OH		3.08E+13	0	11010
C16H31Q36-7 = CH2O + C15H29ED3OOH + OH		3.08E+13	0	18850
C16H31Q37-4 = TC4H9CHO + C11H21DD3OOH + OH		3.08E+13	0	18020
C16H31Q37-4 = CH2O + C15H29CDB7OOH + OH		3.08E+13	0	21170
C16H31Q37-6 = TC4H9CHO + C11H21ED3OOH + OH		3.08E+13	0	12780
C16H31Q37-8 = IC12KET1-4 + IC4H8 + OH		3.08E+13	0	15400
C16H31Q14-1 = CH2O + C15H29AD5OOH + OH		3.08E+13	0	19110
C16H31Q14-2 = DC7H15CHO + C8H15BD1OOH + OH		3.08E+13	0	8060
C16H31Q24-1 = IC12KET1-3 + IC4H8 + OH		3.08E+13	0	16860
C16H31Q46-7 = IC8H17CHO + C7H13BD1OOH + OH		3.08E+13	0	18510
C16H31Q46-7 = CH2O + C15H29ED4OOH + OH		3.08E+13	0	24260
C16H31Q47-6 = IC8H17CHO + C7H13AD3OOH + OH		3.08E+13	0	16600
C16H31Q47-6 = TC4H9CHO + C11H21ED4OOH + OH		3.08E+13	0	14830
C16H31Q47-8 = IC12KET1-3 + IC4H8 + OH		3.08E+13	0	17510
C16H31Q48-7 = IC8H17CHO + C7H13BD4OOH + OH		3.08E+13	0	19260
C16H31Q48-7 = CH2O + C15H29GD4OOH + OH		3.08E+13	0	21750
C16H31Q48-8 = CH2O + C15H29HD4OOH + OH		3.08E+13	0	19110
C16H31Q25-1 = IC12KET1-3 + IC4H8 + OH		3.08E+13	0	19360
C16H31Q25-3 = TC4H9CHO + C11H21AD4OOH + OH		3.08E+13	0	10850
C16H31Q25-4 = TC4H9CHO + C11H21BD3OOH + OH		3.08E+13	0	25140
C16H31Q35-2 = CH2O + C15H29BD5OOH + OH		3.08E+13	0	27090
C16H31Q35-3 = CH2O + C15H29CDA5OOH + OH		3.08E+13	0	18080
C16H31Q35-4 = CH2O + C15H29CDB5OOH + OH		3.08E+13	0	21370
C16H31Q45-2 = IC8KETAB + IC8H16 + OH		3.08E+13	0	24140
C16H31Q45-3 = IC8KETAB + JC8H16 + OH		3.08E+13	0	18650
C16H31Q57-8 = IC12KET1-2 + IC4H8 + OH		3.08E+13	0	19970
C16H31Q58-8 = CH2O + C15H29HD5OOH + OH		3.08E+13	0	18690
C16H31Q26-1 = IC12KET1-4 + IC4H8 + OH		3.08E+13	0	15400
C16H31Q26-3 = TC4H9CHO + C11H21AD5OOH + OH		3.08E+13	0	11300
C16H31Q26-4 = TC4H9CHO + C11H21BD5OOH + OH		3.08E+13	0	12120
C16H31Q36-2 = CH2O + C15H29BD6OOH + OH		3.08E+13	0	24230
C16H31Q36-3 = CH2O + C15H29CDA6OOH + OH		3.08E+13	0	18530
C16H31Q46-2 = C9KET1-3 + PC7H14 + OH		3.08E+13	0	12860
C16H31Q46-3 = C9KET1-3+ PC7H14 + OH		3.08E+13	0	8130
C16H31Q67-4 = CH2O + C15H29DD6OOH + OH		3.08E+13	0	24790
C16H31Q67-4 = TC4H9CHO + C11H21DD6OOH + OH		3.08E+13	0	17270
C16H31Q67-8 = IC12KET1-3+ IC4H8 + OH		3.08E+13	0	15450
C16H31Q68-7 = CH2O + C15H29ED7OOH + OH		3.08E+13	0	24050
C16H31Q68-7 = CH2O + C15H29GD6OOH + OH		3.08E+13	0	21900
C16H31Q68-8 = CH2O + C15H29HD6OOH + OH		3.08E+13	0	19260
C16H31Q27-1 = IC12KET1-5 + IC4H8 + OH		3.08E+13	0	9620
C16H31Q27-3 = TC4H9CHO + C11H21AD6OOH + OH		3.08E+13	0	11300
C16H31Q37-2 = CH2O + C15H29BD7OOH + OH		3.08E+13	0	24230
C16H31Q37-3 = CH2O + C15H29CDA7OOH + OH		3.08E+13	0	18530
C16H31Q47-2 = IC8KETAC + IC8H16 + OH		3.08E+13	0	20440
C16H31Q47-3 = IC8KETAC + JC8H16 + OH		3.08E+13	0	14950
C16H31Q78-8 = CH2O + C15H29HD7OOH + OH		3.08E+13	0	20380
C16H31Q78-8 = IC11H23CHO + IC4H7OOH + OH		3.08E+13	0	7760
C16H31Q48-2 = IC8KETAD + IC8H16 + OH		3.08E+13	0	18330
C16H31Q48-3 = IC8KETAD + JC8H16 + OH		3.08E+13	0	12840
C16H31Q48-6 = IC8H17CHO + C7H13AD4OOH + OH		3.08E+13	0	14550
C16H31Q68-4 = CH2O + C15H29DD7OOH + OH		3.08E+13	0	24020
C16H31Q78-4 = IC5KETAB + CC11H22 + OH		3.08E+13	0	20600
C16H31Q78-6 = IC5KETAB + DC11H22 + OH		3.08E+13	0	18260
C16H31Q88-7 = CH2O + C15H29GD8OOH + OH		3.08E+13	0	21830
C16H31Q88-8 = CH2O + C15H29HD8OOH + OH		3.08E+13	0	19890
!
C16H31Q12-5 = C8H15Q12-3 + JC8H16		1.39E+14	0	24646.8
C16H31Q13-5 = C8H15Q14-3 + JC8H16		1.39E+14	0	23614.5
C16H31Q23-5 = C8H15Q24-3 + JC8H16		1.39E+14	0	27204.3
C16H31Q25-8 = C12H23Q25-7 + IC4H8		1.39E+14	0	22470.6
C16H31Q33-5 = C8H15Q45-3 + JC8H16		1.39E+14	0	26916
C16H31Q35-8 = C12H23Q35-7 + IC4H8		1.39E+14	0	21856.8
C16H31Q45-8 = C12H23Q45-7 + IC4H8		1.39E+14	0	23400.6
C16H31Q56-2 = C8H15Q23-1 + IC8H16		1.39E+14	0	26832.3
C16H31Q56-3 = C8H15Q23-1 + JC8H16		1.39E+14	0	21726.6
C16H31Q56-8 = C12H23Q56-7 + IC4H8		1.39E+14	0	22145.1
C16H31Q57-2 = C8H15Q24-1 + IC8H16		1.39E+14	0	26720.7
C16H31Q57-3 = C8H15Q24-1 + JC8H16		1.39E+14	0	21615
C16H31Q58-2 = C8H15Q25-1 + IC8H16		1.39E+14	0	26692.8
C16H31Q58-3 = C8H15Q25-1 + JC8H16		1.39E+14	0	21587.1
C16H31Q88-5 = IC4H7Q13-2 + AC12H24		1.39E+14	0	28413.3
!!
!Class - 34 EROOH Decomposition
C16H31-AD1OOH = OH + CH2O + AC15H29	1.50E+16	0	4.080E+04
C16H31-AD2OOH = OH + TC4H9CHO + AC11H21	1.05E+16	0	4.180E+04
C16H31-AD3OOH = OH + CH2O + AC15H29	1.50E+16	0	4.080E+04
C16H31-AD6OOH = OH + CH2O + AC15H29	1.50E+16	0	4.080E+04
C16H31-AD7OOH = OH + TC4H9CHO + AC11H21	1.05E+16	0	4.180E+04
C16H31-AD8OOH = OH + CH2O + AC15H29	1.50E+16	0	4.080E+04
C16H31-BD2OOH = OH + TC4H9CHO + AC11H21	1.05E+16	0	4.180E+04
C16H31-BD3OOH = OH + CH2O + AC15H29	1.50E+16	0	4.080E+04
C16H31-BD4OOH = OH + IC8H17CHO + PC7H13	1.05E+16	0	4.180E+04
C16H31-BD7OOH = OH + TC4H9CHO + AC11H21	1.05E+16	0	4.180E+04
C16H31-BD8OOH = OH + CH2O + AC15H29	1.50E+16	0	4.080E+04
C16H31-CD2OOH = OH + TC4H9CHO + AC11H21	1.05E+16	0	4.180E+04
C16H31-CD3OOH = OH + CH2O + AC15H29	1.50E+16	0	4.080E+04
C16H31-CD4OOH = OH + IC8H17CHO + PC7H13	1.05E+16	0	4.180E+04
C16H31-CD6OOH = OH + CH2O + AC15H29	1.50E+16	0	4.080E+04
C16H31-CD8OOH = OH + CH2O + AC15H29	1.50E+16	0	4.080E+04
!
!!Class - 35 OTHER
C15H29AD2OOH = CH2O + OH + C14H27	1.05E+16	0	4.16E+04
C15H29BD2OOH = CH2O + OH + C14H27	1.05E+16	0	4.16E+04
C15H29AD3OOH = AC3H5CHO + OH + AC11H23	1.05E+16	0	4.16E+04
C15H29CD2OOH = CH2O + OH + C14H27	1.05E+16	0	4.16E+04
AC15H29BD4OOH = CH2O + OH + C14H27	1.05E+16	0	4.16E+04
C15H29CD1OOH = CH2O + OH + C14H27	1.05E+16	0	4.16E+04
C15H29DD1OOH = CH2O + OH + C14H27	1.05E+16	0	4.16E+04
C15H29BD5OOH = IC8H17CHO + OH + AC6H11-C	1.05E+16	0	4.16E+04
C8H15DD1OOH = CH2O + OH + PC7H13	1.05E+16	0	4.16E+04
C11H21AD2OOH = CH2O + OH + AC10H19	1.05E+16	0	4.16E+04
C15H29CDA2OOH = TC4H9CHO + OH + AC10H19	1.05E+16	0	4.16E+04
C15H29CDB2OOH = TC4H9CHO + OH + AC10H19	1.05E+16	0	4.16E+04
C8H15CDA2OOH = TC4H9CHO + OH + C3H5-A	1.05E+16	0	4.16E+04
C11H21AD3OOH = IC8H17CHO + OH + C2H3	1.05E+16	0	4.16E+04
C15H29DD2OOH = TC4H9CHO + OH + AC10H19	1.05E+16	0	4.16E+04
C15H29ED2OOH = TC4H9CHO + OH + AC10H19	1.05E+16	0	4.16E+04
C11H21DD2OOH = TC4H9CHO + OH + AC6H11-D	1.05E+16	0	4.16E+04
C11H21ED2OOH = TC4H9CHO + OH + AC6H11-E	1.05E+16	0	4.16E+04
C15H29AD4OOH = CH2O + OH + C14H27	1.05E+16	0	4.16E+04
C15H29CD4OOH  = CH2O + OH + C14H27	1.05E+16	0	4.16E+04
C15H29CDB4OOH = CH2O + OH + C14H27	1.05E+16	0	4.16E+04
C15H29CDA4OOH = IC8H17CHO + OH + AC6H11-C	1.05E+16	0	4.16E+04
C8H15CD3OOH = CH2O + OH + PC7H13	1.05E+16	0	4.16E+04
C15H29CD6OOH = CH2O + OH + C14H27	1.05E+16	0	4.16E+04
C15H29ED3OOH = CH2O + OH + C14H27	1.05E+16	0	4.16E+04
C11H21DD3OOH = CH2O + OH + AC10H19	1.05E+16	0	4.16E+04
C15H29CDB7OOH = TC4H9CHO + OH + AC10H19	1.05E+16	0	4.16E+04
C11H21ED3OOH = CH2O + OH + AC10H19	1.05E+16	0	4.16E+04
C15H29AD5OOH = IC8H17CHO + OH + AC6H11-A2	1.05E+16	0	4.16E+04
C8H15BD1OOH = CH2O + OH + PC7H13	1.05E+16	0	4.16E+04
C7H13BD1OOH = CH2O + OH + AC6H11-A2	1.05E+16	0	4.16E+04
C15H29ED4OOH = IC8H17CHO + AC6H11-A2 + OH	1.05E+16	0	4.16E+04
C7H13AD3OOH = TC4H9CHO + OH + C2H3	1.05E+16	0	4.16E+04
C11H21ED4OOH = IC8H17CHO + OH + C2H3	1.05E+16	0	4.16E+04
C7H13BD4OOH = CH2O + OH + AC6H11-C	1.05E+16	0	4.16E+04
C15H29GD4OOH = IC8H17CHO + OH + AC6H11-A2	1.05E+16	0	4.16E+04
C15H29HD4OOH = IC8H17CHO + OH + AC6H11-C	1.05E+16	0	4.16E+04
C11H21AD4OOH  = IC7H15CHO + OH + C3H5-S	1.05E+16	0	4.16E+04
C11H21BD3OOH = IC7H15CHO + OH + C3H5-A	1.05E+16	0	4.16E+04
C15H29BD5OOH = IC7H15CHO + OH + PC7H13	1.05E+16	0	4.16E+04
C15H29CDA5OOH = IC7H15CHO + OH + PC7H13	1.05E+16	0	4.16E+04
C15H29CDB5OOH = IC7H15CHO + OH + PC7H13	1.05E+16	0	4.16E+04
C15H29HD5OOH = IC11H23CHO + OH + C3H5-S	1.05E+16	0	4.16E+04
C11H21AD5OOH = CH2O + OH + AC10H19	1.05E+16	0	4.16E+04
C11H21BD5OOH = CH2O + OH + AC10H19	1.05E+16	0	4.16E+04
C15H29BD6OOH = CH2O + OH + C14H27	1.05E+16	0	4.16E+04
C15H29CDA6OOH = CH2O + OH + C14H27	1.05E+16	0	4.16E+04
C15H29DD6OOH = TC4H9CHO + OH + AC10H19	1.05E+16	0	4.16E+04
C11H21DD6OOH = CH2O + OH + AC10H19	1.05E+16	0	4.16E+04
C15H29ED7OOH = CH2O + OH + C14H27	1.05E+16	0	4.16E+04
C15H29GD6OOH = CH2O + OH + C14H27	1.05E+16	0	4.16E+04
C15H29HD6OOH = CH2O + OH + C14H27	1.05E+16	0	4.16E+04
C11H21AD6OOH = TC4H9CHO + OH + AC6H11-A2	1.05E+16	0	4.16E+04
C15H29BD7OOH = TC4H9CHO + OH + AC10H19	1.05E+16	0	4.16E+04
C15H29CDA7OOH = TC4H9CHO + OH + AC10H19	1.05E+16	0	4.16E+04
C15H29HD7OOH = IC11H23CHO + OH + C3H5-A	1.05E+16	0	4.16E+04
C7H13AD4OOH = CH2O + OH + AC6H11-A2	1.05E+16	0	4.16E+04
C15H29DD7OOH = CH2O + OH + C14H27	1.05E+16	0	4.16E+04
C15H29GD8OOH = CH2O + OH + C14H27	1.05E+16	0	4.16E+04
C15H29HD8OOH = CH2O + OH + C14H27	1.05E+16	0	4.16E+04
!
C8H15Q12-3 = C8H15BD1OOH + HO2	7.82E+09	0.9	14900
C8H15Q14-3 = C8H15-CD1OOH + HO2	8.38E+09	0.92	14500
C8H15Q24-3 = C8H15-CD2OOH + HO2	8.38E+09	0.92	14500
C12H23Q25-7 = C12H23-ED2OOH + HO2	3.89E+13	-0.15	15500
C8H15Q45-3 = C8H15-CD4OOH + HO2	8.38E+09	0.92	14500
C12H23Q35-7 = C12H23-ED3OOH + HO2	3.89E+13	-0.15	15500
C12H23Q45-7 = C12H23-ED4OOH + HO2	3.89E+13	-0.15	15500
C8H15Q23-1 = C8H15-AD2OOH + HO2	3.89E+13	-0.15	15500
C12H23Q56-7 = C12H23-ED6OOH + HO2	3.89E+13	-0.15	15500
C8H15Q24-1 = C8H15-AD3OOH + HO2	3.89E+13	-0.15	15500
C8H15Q25-1 = C8H15-AD4OOH + HO2	3.89E+13	-0.15	15500
IC4H7Q13-2 = IC4H7-AD2OOH + HO2	8.38E+09	0.92	14500
!
C8H15-CD1OOH = OH + CH2O + PC7H13	1.05E+16	0	4.16E+04
C8H15-CD2OOH = OH + TC4H9CHO + C3H5-A	1.05E+16	0	4.16E+04
C12H23-ED2OOH = OH + TC4H9CHO + PC7H13	1.05E+16	0	4.16E+04
C8H15-CD4OOH = OH + CH2O + PC7H13	1.05E+16	0	4.16E+04
C12H23-ED3OOH = OH + CH2O + AC11H21	1.05E+16	0	4.16E+04
C12H23-ED4OOH = OH + IC8H17CHO + C3H5-A	1.05E+16	0	4.16E+04
C8H15-AD2OOH = OH + CH2O + PC7H13	1.05E+16	0	4.16E+04
C12H23-ED6OOH = OH + CH2O + AC11H21	1.05E+16	0	4.16E+04
C8H15-AD3OOH = OH + TC4H9CHO + C3H5-A	1.05E+16	0	4.16E+04
C8H15-AD4OOH = OH + CH2O + PC7H13	1.05E+16	0	4.16E+04
IC4H7-AD2OOH = OH + CH2O + C3H5-A	1.05E+16	0	4.16E+04
!
C4H6+C10H21-1 = C14H27    	1.00E+11	0	7.80E+03
C5H81-3+C9H19-1 = C14H27	1.00E+11	0	7.80E+03
C6H10D13+C8H17-1 = C14H27 	1.00E+11	0	7.80E+03
C7H121-3+C7H15-1 = C14H27	1.00E+11	0	7.80E+03
C8H141-3+C6H13-1 = C14H27	1.00E+11	0	7.80E+03
C9H161-3+C5H11-1 = C14H27 	1.00E+11	0	7.80E+03
!
!Class  - 35 Miscellaneous reactions
!
  BC8H16OH-C  =  TC4H9+IC4H7OH-I1  6.835E+23  -4.36  3.180E+04
           REV /  1.000E+11  0.00  9.200E+03 /
!  PC7H14O-QO2H  =  NEOC5H11CHO+CH2O+OH  5.870E+16  -0.80  2.088E+04
!           REV /  0.000E+00  0.00  0.000E+00 /

  PC7H14OH-QO2  =  PC7H14O-QO2H  1.200E+12  0.00  1.890E+04
           REV /  1.905E+15  -0.97  3.630E+03 /
  PC7H14OH-QO2  =  PC7H14OH-Q+O2  1.391E+19  -1.62  3.447E+04
           REV /  1.000E+12  0.00  0.000E+00 /
!  QC7H14O-PO2H  =  NEOC5H11CHO+CH2O+OH  3.104E+18  -1.60  1.861E+04
!           REV /  0.000E+00  0.00  0.000E+00 /
  QC7H14OH-PO2  =  QC7H14O-PO2H  1.200E+12  0.00  1.890E+04
           REV /  1.420E+15  -0.93  3.580E+03 /
  QC7H14OH-PO2  =  QC7H14OH-P+O2  5.552E+20  -1.96  3.547E+04
           REV /  1.500E+12  0.00  0.000E+00 /
  PC7H14O-OO2H  =  TC4H9CHO+CH3CHO+OH  1.778E+21  -2.35  1.651E+04
           REV /  0.000E+00  0.00  0.000E+00 /
  PC7H14OH-OO2  =  PC7H14O-OO2H  1.200E+12  0.00  1.890E+04
           REV /  1.936E+15  -0.97  3.620E+03 /
  PC7H14OH-OO2  =  PC7H14OH-O+O2  1.354E+21  -2.08  3.556E+04
           REV /  1.500E+12  0.00  0.000E+00 /
  OC7H14O-PO2H  =  TC4H9CHO+CH3CHO+OH  1.242E+21  -2.45  1.764E+04
           REV /  0.000E+00  0.00  0.000E+00 /
  OC7H14OH-PO2  =  OC7H14O-PO2H  1.200E+12  0.00  1.890E+04
           REV /  1.936E+15  -0.97  3.620E+03 /
  OC7H14OH-PO2  =  OC7H14OH-P+O2  1.354E+21  -2.08  3.556E+04
           REV /  1.500E+12  0.00  0.000E+00 /
  YC7H14O-ZO2H  =  IC3H7CHO+CH3COCH3+OH  9.875E+22  -3.05  1.391E+04
           REV /  0.000E+00  0.00  0.000E+00 /
  YC7H14OH-ZO2  =  YC7H14O-ZO2H  1.200E+12  0.00  1.890E+04
           REV /  1.417E+15  -0.93  3.580E+03 /
  YC7H14OH-ZO2  =  YC7H14OH-Z+O2  8.199E+20  -2.01  3.552E+04
           REV /  1.500E+12  0.00  0.000E+00 /
  ZC7H14O-YO2H  =  IC3H7CHO+CH3COCH3+OH  1.893E+23  -2.89  1.434E+04
           REV /  0.000E+00  0.00  0.000E+00 /
  ZC7H14OH-YO2  =  ZC7H14O-YO2H  1.200E+12  0.00  1.890E+04
           REV /  1.867E+15  -0.97  3.630E+03 /
  ZC7H14OH-YO2  =  ZC7H14OH-Y+O2  3.488E+21  -2.13  3.470E+04
           REV /  2.000E+12  0.00  0.000E+00 /
!  YC7H14O-XO2H  =  IC4H9COCH3+CH2O+OH  2.826E+18  -1.47  1.791E+04
!           REV /  0.000E+00  0.00  0.000E+00 /
  YC7H14OH-XO2  =  YC7H14O-XO2H  1.200E+12  0.00  1.890E+04
           REV /  1.416E+15  -0.93  3.580E+03 /
  YC7H14OH-XO2  =  YC7H14OH-X+O2  1.871E+18  -1.44  3.430E+04
           REV /  1.000E+12  0.00  0.000E+00 /
!  XC7H14O-YO2H  =  IC4H9COCH3+CH2O+OH  8.295E+20  -2.15  1.449E+04
!           REV /  0.000E+00  0.00  0.000E+00 /
!  XC7H14OH-YO2  =  XC7H14O-YO2H  1.200E+12  0.00  1.890E+04
!           REV /  1.418E+15  -0.93  3.580E+03 /
  XC7H14OH-YO2  =  XC7H14OH-Y+O2  1.632E+22  -2.16  3.473E+04
           REV /  2.000E+12  0.00  0.000E+00 /
  PC7H14OH-Q  =  CH3CHO+NEOC5H11  2.303E+20  -2.27  2.079E+04
           REV /  1.000E+11  0.00  9.200E+03 /
  PC7H14OH-Q  =  PC7H14+OH  7.601E+16  -1.16  2.969E+04
           REV /  1.000E+12  0.00 -1.042E+03 /
  QC7H14OH-P  =  C3H5OH+TC4H9  1.888E+23  -2.81  3.203E+04
           REV /  1.000E+11  0.00  9.200E+03 /
  QC7H14OH-P  =  PC7H14+OH  6.108E+14  -0.54  2.770E+04
           REV /  1.000E+12  0.00 -1.042E+03 /
  OC7H14OH-P  =  C3H5OH+TC4H9  1.521E+24  -3.08  3.653E+04
           REV /  1.000E+11  0.00  9.200E+03 /
  PC7H14OH-O  =  OC7H14+OH  1.073E+16  -1.00  3.035E+04
           REV /  1.000E+12  0.00 -1.042E+03 /
  OC7H14OH-P  =  OC7H14+OH  1.073E+16  -1.00  3.035E+04
           REV /  1.000E+12  0.00 -1.042E+03 /
  ZC7H14OH-Y  =  IC4H7OH-I1+IC3H7  3.870E+16  -2.24  3.101E+04
           REV /  1.000E+11  0.00  9.200E+03 /
  YC7H14OH-Z  =  YC7H14+OH  3.608E+16  -0.94  3.067E+04
           REV /  1.000E+12  0.00 -1.042E+03 /
  ZC7H14OH-Y  =  YC7H14+OH  1.906E+16  -0.86  3.026E+04
           REV /  1.000E+12  0.00 -1.042E+03 /
  YC7H14OH-X  =  IC3H5OH+IC4H9  3.869E+21  -2.32  3.086E+04
           REV /  1.000E+11  0.00  9.200E+03 /
  YC7H14OH-X  =  XC7H14+OH  5.746E+17  -1.21  3.089E+04
           REV /  1.000E+12  0.00 -1.042E+03 /
  XC7H14OH-Y  =  IC4H7OH+IC3H7  4.324E+14  -0.40  3.040E+04
           REV /  1.000E+11  0.00  7.800E+03 /
  XC7H14OH-Y  =  XC7H14+OH  6.818E+15  -0.81  2.934E+04
           REV /  1.000E+14  -0.50  0.000E+00 /
  XC7H13+HO2  =  XC7H13O-Z+OH  1.000E+13  0.00  0.000E+00
           REV /  4.566E+15  -1.11  1.069E+04 /
  IC8ETERDD+HO2  =  CH2O+PC7H13+H2O2  2.500E+12  0.00  1.770E+04
           REV /  0.000E+00  0.00  0.000E+00 /
  IC8ETERCD+HO2  =  CH2O+PC7H13+H2O2  2.500E+12  0.00  1.770E+04
           REV /  0.000E+00  0.00  0.000E+00 /
  IC8ETERAC+HO2  =  CH2O+XC7H13+H2O2  2.500E+12  0.00  1.770E+04
           REV /  0.000E+00  0.00  0.000E+00 /
  IC8ETERDD+OH  =  CH2O+PC7H13+H2O  1.250E+12  0.00  0.000E+00
           REV /  0.000E+00  0.00  0.000E+00 /
  IC8ETERCD+OH  =  CH2O+PC7H13+H2O  1.250E+12  0.00  0.000E+00
           REV /  0.000E+00  0.00  0.000E+00 /
  IC8ETERAC+OH  =  CH2O+XC7H13+H2O  1.250E+12  0.00  0.000E+00
           REV /  0.000E+00  0.00  0.000E+00 /
  PC7H13  =  TC4H9+C3H4-A  2.000E+13  0.00  4.500E+04!A*2
           REV /  1.000E+13  0.00  9.600E+03 /
  PC7H14+O  =  PC7H13+OH  1.000E+12  0.00  4.000E+03
           REV /  0.000E+00  0.00  0.000E+00 /
  OC7H14+O  =  PC7H13+OH  1.000E+12  0.00  4.000E+03
           REV /  0.000E+00  0.00  0.000E+00 /
  PC7H14+OH  =  PC7H13+H2O  1.000E+12  0.00  1.230E+03
           REV /  1.000E+10  0.00  2.000E+04 /
  OC7H14+OH  =  PC7H13+H2O  1.000E+12  0.00  1.230E+03
           REV /  1.000E+10  0.00  2.000E+04 /
  OC7H14+CH3  =  PC7H13+CH4  2.000E+11  0.00  7.300E+03
           REV /  6.000E+11  0.00  1.790E+04 /
  PC7H14+CH3  =  PC7H13+CH4  2.000E+11  0.00  7.300E+03
           REV /  6.000E+11  0.00  1.790E+04 /
  OC7H14+H  =  PC7H13+H2  1.000E+12  0.00  3.900E+03
           REV /  1.000E+12  0.00  1.400E+04 /
  PC7H14+H  =  PC7H13+H2  1.000E+12  0.00  3.900E+03
           REV /  1.000E+12  0.00  1.400E+04 /
  C7H162-4+O2CHO  =  ZC7H15+HO2CHO  5.600E+12  0.00  1.769E+04
           REV /  2.592E+01  2.64  2.829E+03 /
  C7H162-4+O2CHO  =  YC7H15+HO2CHO  5.600E+12  0.00  1.601E+04
           REV /  9.781E+00  2.82  3.173E+03 /
  C7H162-4+O2CHO  =  XC7H15+HO2CHO  3.360E+13  0.00  2.044E+04
           REV /  2.293E+03  2.30  3.057E+03 /
  Y-YC7H14O+HO2  =  CH3COCH3+C4H7+H2O2  5.000E+12  0.00  1.770E+04
           REV /  0.000E+00  0.00  0.000E+00 /
  Y-YC7H14O+OH  =  CH3COCH3+C4H7+H2O  2.500E+12  0.00  0.000E+00
           REV /  0.000E+00  0.00  0.000E+00 /
  XC7H13  =  C3H6+IC4H7  8.682E-13  -0.96  3.834E+04
           REV /  1.000E-19  0.00  9.200E+03 /
  YC7H14+O  =  XC7H13+OH  1.000E+12  0.00  4.000E+03
           REV /  3.000E+12  0.00  1.000E+04 /
  XC7H14+O  =  XC7H13+OH  1.000E+12  0.00  4.000E+03
           REV /  3.000E+12  0.00  1.000E+04 /
  YC7H14+OH  =  XC7H13+H2O  3.070E+02  3.20 -3.500E+03
           REV /  4.600E+03  3.14  3.390E+04 /
  XC7H14+OH  =  XC7H13+H2O  1.382E+04  2.64 -1.919E+03!A/2
           REV /  1.924E+05  2.76  3.808E+04 /
  YC7H14+CH3  =  XC7H13+CH4  4.613E+00  3.10  2.330E+03
           REV /  4.171E+02  3.04  2.506E+04 /
  XC7H14+CH3  =  XC7H13+CH4  3.690E+00  3.31  4.002E+03
           REV /  1.549E+02  3.43  2.933E+04 /
  YC7H14+H  =  XC7H13+H2  5.300E+06  2.20  0.000E+00
           REV /  1.834E+07  2.14  2.225E+04 /
  XC7H14+H  =  XC7H13+H2  3.376E+05  2.36  2.070E+02
           REV /  5.426E+05  2.48  2.505E+04 /
  C7H162-4+YC7H15  =  ZC7H15+C7H162-4  5.600E+12  0.00  1.040E+04
           REV /  3.300E+11  0.00  7.900E+03 /
  C7H162-4+XC7H15  =  ZC7H15+C7H162-4  5.600E+12  0.00  1.040E+04
           REV /  1.600E+11  0.00  1.230E+04 /
  C7H162-4+XC7H15  =  YC7H15+C7H162-4  3.360E+13  0.00  7.900E+03
           REV /  5.000E+12  0.00  1.230E+04 /
  C7H162-4+ZC7H15O2  =  ZC7H15+ZC7H15O2H  5.600E+12  0.00  1.770E+04
           REV /  1.440E+10  0.00  1.500E+04 /
  C7H162-4+YC7H15O2  =  ZC7H15+YC7H15O2H  5.600E+12  0.00  1.770E+04
           REV /  1.440E+10  0.00  1.500E+04 /
  C7H162-4+XC7H15O2  =  ZC7H15+XC7H15O2H  5.600E+12  0.00  1.770E+04
           REV /  1.440E+10  0.00  1.500E+04 /
  C7H162-4+ZC7H15O2  =  YC7H15+ZC7H15O2H  5.600E+12  0.00  1.600E+04
           REV /  1.440E+10  0.00  1.500E+04 /
  C7H162-4+YC7H15O2  =  YC7H15+YC7H15O2H  5.600E+12  0.00  1.600E+04
           REV /  1.440E+10  0.00  1.500E+04 /
  C7H162-4+XC7H15O2  =  YC7H15+XC7H15O2H  5.600E+12  0.00  1.600E+04
           REV /  1.440E+10  0.00  1.500E+04 /
  C7H162-4+ZC7H15O2  =  XC7H15+ZC7H15O2H  3.360E+13  0.00  2.043E+04
           REV /  1.440E+10  0.00  1.500E+04 /
  C7H162-4+YC7H15O2  =  XC7H15+YC7H15O2H  3.360E+13  0.00  2.043E+04
           REV /  1.440E+10  0.00  1.500E+04 /
  C7H162-4+XC7H15O2  =  XC7H15+XC7H15O2H  3.360E+13  0.00  2.043E+04
           REV /  8.052E+13  -0.51  4.962E+03 /
  C7H162-4+CH3O2  =  ZC7H15+CH3O2H  5.600E+12  0.00  1.769E+04
           REV /  9.458E+11  -0.17  5.155E+03 /
  C7H162-4+CH3O2  =  YC7H15+CH3O2H  2.800E+12  0.00  1.601E+04
           REV /  1.784E+11  0.01  5.492E+03 /
  C7H162-4+CH3O2  =  XC7H15+CH3O2H  3.360E+13  0.00  2.044E+04
           REV /  8.366E+13  -0.51  5.387E+03 /
  C7H162-4+C2H3  =  ZC7H15+C2H4  4.000E+11  0.00  1.680E+04
           REV /  2.000E+12  0.00  2.420E+04 /
  C7H162-4+C2H3  =  YC7H15+C2H4  4.000E+11  0.00  1.430E+04
           REV /  2.400E+12  0.00  2.300E+04 /
  C7H162-4+C2H3  =  XC7H15+C2H4  2.000E+12  0.00  1.800E+04
           REV /  2.600E+12  0.00  2.540E+04 /
  C7H162-4+O2  =  ZC7H15+HO2  1.400E+13  0.00  5.016E+04
           REV /  8.026E+08  0.66 -5.340E+02 /
  C7H162-4+O2  =  YC7H15+HO2  1.400E+13  0.00  4.801E+04
           REV /  3.029E+08  0.84 -6.670E+02 /
  C7H162-4+O2  =  XC7H15+HO2  8.400E+13  0.00  5.281E+04
           REV /  7.099E+10  0.32 -4.050E+02 /
  C7H162-4+CH3O  =  ZC7H15+CH3OH  1.100E+11  0.00  5.000E+03
           REV /  8.900E+09  0.00  7.200E+03 /
  C7H162-4+CH3O  =  YC7H15+CH3OH  3.800E+10  0.00  2.800E+03
           REV /  1.000E+10  0.00  5.200E+03 /
  C7H162-4+CH3O  =  XC7H15+CH3OH  6.400E+11  0.00  7.000E+03
           REV /  1.200E+10  0.00  9.200E+03 /
  C7H162-4+HO2  =  ZC7H15+H2O2  5.600E+12  0.00  1.769E+04
           REV /  4.542E+11  0.01  8.175E+03 /
  C7H162-4+HO2  =  YC7H15+H2O2  5.600E+12  0.00  1.601E+04
           REV /  1.714E+11  0.19  8.512E+03 /
  C7H162-4+HO2  =  XC7H15+H2O2  3.360E+13  0.00  2.044E+04
           REV /  4.017E+13  -0.33  8.407E+03 /
  C7H162-4+OH  =  ZC7H15+H2O  4.680E+07  1.61 -3.500E+01
           REV /  6.395E+05  1.94  2.191E+04 /
  C7H162-4+OH  =  YC7H15+H2O  1.146E+10  0.51  6.300E+01
           REV /  1.170E+11  0.51  2.160E+04 /
  C7H162-4+OH  =  XC7H15+H2O  2.108E+10  0.97  1.586E+03
           REV /  4.246E+09  0.96  2.101E+04 /
  C7H162-4+O  =  ZC7H15+OH  5.946E+05  2.44  2.846E+03
           REV /  8.242E+02  2.77  7.544E+03 /
  C7H162-4+O  =  YC7H15+OH  7.936E+05  2.40  1.150E+03
           REV /  4.151E+02  2.92  7.865E+03 /
  C7H162-4+O  =  XC7H15+OH  5.394E+07  2.03  5.136E+03
           REV /  1.102E+06  2.03  7.313E+03 /
  C7H162-4+C2H5  =  ZC7H15+C2H6  5.000E+10  0.00  1.040E+04
           REV /  1.000E+11  0.00  1.290E+04 /
  C7H162-4+C2H5  =  YC7H15+C2H6  2.000E+11  0.00  7.900E+03
           REV /  3.000E+11  0.00  2.100E+04 /
  C7H162-4+C2H5  =  XC7H15+C2H6  2.000E+11  0.00  1.340E+04
           REV /  3.200E+11  0.00  1.230E+04 /
  C7H162-4+CH3  =  ZC7H15+CH4  8.400E+04  2.13  7.574E+03
           REV /  6.925E+03  2.47  1.485E+04 /
  C7H162-4+CH3  =  YC7H15+CH4  1.202E-09  6.36  8.930E+02
           REV /  3.739E-11  6.88  1.018E+04 /
  C7H162-4+CH3  =  XC7H15+CH4  1.814E+00  3.65  7.154E+03
           REV /  2.205E+00  3.65  1.191E+04 /
  C7H162-4+H  =  ZC7H15+H2  1.300E+06  2.40  4.471E+03
           REV /  4.103E+03  2.73  1.126E+04 /
  C7H162-4+H  =  YC7H15+H2  1.204E+06  2.40  2.583E+03
           REV /  1.434E+03  2.92  1.139E+04 /
  C7H162-4+H  =  XC7H15+H2  3.760E+05  2.75  6.280E+03
           REV /  1.749E+04  2.75  1.055E+04 /
  C7H162-4  =  IC3H7+IC4H9  4.075E+20  -1.04  8.579E+04
           REV /  4.000E+12  0.00 -5.960E+02 /
  C7H162-4  =  DC6H13+CH3  8.740E+20  -1.31  8.634E+04
           REV /  4.000E+12  0.00 -5.960E+02 /
  C7H162-4  =  ZC7H15+H  2.157E+20  -1.33  1.006E+05
           REV /  3.610E+13  0.00  0.000E+00 /
  C7H162-4  =  YC7H15+H  5.717E+20  -1.52  9.863E+04
           REV /  3.610E+13  0.00  0.000E+00 /
  C7H162-4  =  XC7H15+H  1.463E+19  -0.99  1.032E+05
           REV /  3.610E+13  0.00  0.000E+00 /
  C4H7CO2-2  =  C4H7+CO  8.971E+10  -0.92  2.095E+04
           REV /  1.500E+11  0.00  4.810E+03 /
  C4H7CO1-2  =  C4H7+CO  1.151E+13  -0.22  1.398E+04
           REV /  1.500E+11  0.00  4.810E+03 /
  C4H7CO2-1  =  C4H7+CO  2.943E+09  0.54  1.710E+03
           REV /  1.500E+11  0.00  4.810E+03 /
  C4H7CO1-4  =  C4H7+CO  2.787E+09  0.46 -1.600E+02
           REV /  1.500E+11  0.00  4.810E+03 /
  A-BC6H12O+HO2  =  C5H9+CH2O+H2O2  5.000E+12  0.00  1.770E+04
           REV /  0.000E+00  0.00  0.000E+00 /
  A-AC6H12O+HO2  =  C5H9+CH2O+H2O2  5.000E+12  0.00  1.770E+04
           REV /  0.000E+00  0.00  0.000E+00 /
  A-BC6H12O+OH  =  C5H9+CH2O+H2O  2.500E+12  0.00  0.000E+00
           REV /  0.000E+00  0.00  0.000E+00 /
  A-AC6H12O+OH  =  C5H9+CH2O+H2O  2.500E+12  0.00  0.000E+00
           REV /  0.000E+00  0.00  0.000E+00 /
  SC3H5COCH2  =  CH2CO+C3H5-S  1.777E+19  -1.65  5.940E+04
           REV /  1.000E+11  0.00  1.190E+04 /
  IC3H5COCH3+CH3O2  =  SC3H5COCH2+CH3O2H  3.010E+12  0.00  1.938E+04
           REV /  2.523E+15  -1.07  1.459E+04 /
  IC3H5COCH3+HO2  =  SC3H5COCH2+H2O2  8.500E+12  0.00  2.046E+04
           REV /  1.734E+15  -0.90  1.639E+04 /
  IC3H5COCH3+OH  =  SC3H5COCH2+H2O  5.100E+11  0.00  1.192E+03
           REV /  1.753E+13  -0.57  2.859E+04 /
  C5H10O1-5+HO2  =  CH2O+C4H7+H2O2  5.000E+12  0.00  1.770E+04
           REV /  0.000E+00  0.00  0.000E+00 /
  C5H10O1-5+OH  =  CH2O+C4H7+H2O  2.500E+12  0.00  0.000E+00
           REV /  0.000E+00  0.00  0.000E+00 /
  A-BC5H10O+HO2  =  CH2O+C4H7+H2O2  5.000E+12  0.00  1.770E+04
           REV /  0.000E+00  0.00  0.000E+00 /
  A-AC5H10O+HO2  =  CH2O+C4H7+H2O2  5.000E+12  0.00  1.770E+04
           REV /  0.000E+00  0.00  0.000E+00 /
  A-BC5H10O+OH  =  CH2O+C4H7+H2O  2.500E+12  0.00  0.000E+00
           REV /  0.000E+00  0.00  0.000E+00 /
  A-AC5H10O+OH  =  CH2O+C4H7+H2O  2.500E+12  0.00  0.000E+00
           REV /  0.000E+00  0.00  0.000E+00 /
  C2H5CHO+C4H7  =  C2H5CO+C4H8-2  1.700E+12  0.00  8.440E+03
           REV /  1.000E+13  0.00  2.800E+04 /
  C2H5CHO+C4H7  =  C2H5CO+C4H8-1  1.700E+12  0.00  8.440E+03
           REV /  1.000E+13  0.00  2.800E+04 /
  TC4H9O2+C4H7  =  TC4H9O+C4H7O  7.000E+12  0.00 -1.000E+03
           REV /  2.625E+08  0.80  2.060E+04 /
  IC4H9O2+C4H7  =  IC4H9O+C4H7O  7.000E+12  0.00 -1.000E+03
           REV /  5.852E+08  0.81  1.958E+04 /
  TC4H9O2+C4H8-1  =  TC4H9O2H+C4H7  1.400E+12  0.00  1.490E+04
           REV /  3.160E+11  0.00  1.300E+04 /
  IC4H9O2+C4H8-1  =  IC4H9O2H+C4H7  1.400E+12  0.00  1.490E+04
           REV /  3.160E+11  0.00  1.300E+04 /
  C4H8-1+SC4H9O2  =  C4H7+SC4H9O2H  1.400E+12  0.00  1.490E+04
           REV /  3.160E+11  0.00  1.300E+04 /
  C4H8-1+PC4H9O2  =  C4H7+PC4H9O2H  1.400E+12  0.00  1.490E+04
           REV /  3.160E+11  0.00  1.300E+04 /
  C4H8-1+IC3H7O2  =  C4H7+IC3H7O2H  1.400E+12  0.00  1.490E+04
           REV /  3.160E+11  0.00  1.300E+04 /
  C4H8-1+NC3H7O2  =  C4H7+NC3H7O2H  1.400E+12  0.00  1.490E+04
           REV /  3.160E+11  0.00  1.300E+04 /
  C4H8-1+C2H5O2  =  C4H7+C2H5O2H  1.400E+12  0.00  1.490E+04
           REV /  3.160E+11  0.00  1.300E+04 /
  C4H8-1+CH3O2  =  C4H7+CH3O2H  1.400E+12  0.00  1.490E+04
           REV /  3.160E+11  0.00  1.300E+04 /
  C4H8OH-1 =  C4H8-1+OH  1.500E+13  0.00  2.583E+04
           REV /  4.750E+12  0.00 -7.820E+02 /
  C4H8-1+CH3CO3  =  C4H7+CH3CO3H  1.000E+11  0.00  8.000E+03
           REV /  2.000E+10  0.00  1.000E+04 /
  TC4H9O2+C4H8-2  =  TC4H9O2H+C4H7  1.400E+12  0.00  1.490E+04
           REV /  3.160E+11  0.00  1.300E+04 /
  IC4H9O2+C4H8-2  =  IC4H9O2H+C4H7  1.400E+12  0.00  1.490E+04
           REV /  3.160E+11  0.00  1.300E+04 /
  C4H8-2+SC4H9O2  =  C4H7+SC4H9O2H  3.200E+12  0.00  1.490E+04
           REV /  1.585E+11  0.00  1.470E+04 /
  C4H8-2+PC4H9O2  =  C4H7+PC4H9O2H  3.200E+12  0.00  1.490E+04
           REV /  1.585E+11  0.00  1.470E+04 /
  C4H8-2+IC3H7O2  =  C4H7+IC3H7O2H  3.200E+12  0.00  1.490E+04
           REV /  1.585E+11  0.00  1.470E+04 /
  C4H8-2+NC3H7O2  =  C4H7+NC3H7O2H  3.200E+12  0.00  1.490E+04
           REV /  1.585E+11  0.00  1.470E+04 /
  C4H8-2+C2H5O2  =  C4H7+C2H5O2H  3.200E+12  0.00  1.490E+04
           REV /  1.585E+11  0.00  1.470E+04 /
  C4H8-2+CH3O2  =  C4H7+CH3O2H  3.200E+12  0.00  1.490E+04
           REV /  1.585E+11  0.00  1.470E+04 /
  C4H8OH-2  =  C4H8-2+OH  1.500E+13  0.00  2.583E+04
           REV /  4.750E+12  0.00 -7.820E+02 /
  C4H8-2+CH3CO3  =  C4H7+CH3CO3H  1.000E+11  0.00  8.000E+03
           REV /  2.000E+10  0.00  1.000E+04 /
  C4H8OH-2O2  =  C4H8OH-2+O2  4.092E+19  -0.18  5.198E+04
           REV /  2.000E+12  0.00  0.000E+00 /
  C4H8OH-1O2  =  C4H8OH-1+O2  1.829E+18  0.15  4.747E+04
           REV /  2.000E+12  0.00  0.000E+00 /
  C4H7+SC4H9O2  =  C4H7O+SC4H9O  7.000E+12  0.00 -1.000E+03
           REV /  6.763E+08  0.78  1.951E+04 /
  C4H7+PC4H9O2  =  C4H7O+PC4H9O  7.000E+12  0.00 -1.000E+03
           REV /  5.779E+08  0.81  1.978E+04 /
  C4H7+C2H5O2  =  C4H7O+C2H5O  7.000E+12  0.00 -1.000E+03
           REV /  6.954E+08  0.78  1.981E+04 /
  C4H7+CH3O2  =  C4H7O+CH3O  7.000E+12  0.00 -1.000E+03
           REV /  9.844E+12  -0.32  2.165E+04 /
  C4H7+HO2  =  C4H7O+OH  7.000E+12  0.00 -1.000E+03
           REV /  1.008E+11  0.26  1.689E+04 /
  NC3H7O2+C4H7  =  NC3H7O+C4H7O  7.000E+12  0.00 -1.000E+03
           REV /  6.133E+08  0.80  1.979E+04 /
  IC3H7O2+C4H7  =  IC3H7O+C4H7O  7.000E+12  0.00 -1.000E+03
           REV /  7.631E+08  0.77  1.953E+04 /
  C5H10-2+CH3  =  C5H9+CH4  1.000E+11  0.00  8.200E+03
           REV /  6.000E+11  0.00  1.880E+04 /
  C5H10-2+OH  =  C5H9+H2O  4.300E+13  0.00  3.060E+03
           REV /  5.000E+12  0.00  2.650E+04 /
  C5H10-2+O  =  C5H9+OH  2.430E+05  2.56 -1.130E+03
           REV /  7.000E+11  0.00  2.990E+04 /
  C5H10-2+H  =  C5H9+H2  2.900E+13  0.00  4.000E+03
           REV /  1.000E+12  0.00  1.400E+04 /
  C5H10-2  =  CH3+C4H7  1.000E+16  0.00  7.100E+04
           REV /  1.000E+13  0.00  0.000E+00 /
  C5H10-1+CH3  =  C5H9+CH4  1.000E+11  0.00  7.300E+03
           REV /  6.000E+11  0.00  1.790E+04 /
  C5H10-1+OH  =  C5H9+H2O  5.120E+06  2.00 -2.980E+02
           REV /  2.060E+07  2.16  3.497E+04 /
  C5H10-1+O  =  C5H9+OH  2.540E+05  2.56 -1.130E+03
           REV /  7.000E+11  0.00  2.990E+04 /
  C5H10-1+H  =  C5H9+H2  2.800E+13  0.00  4.000E+03
           REV /  1.000E+12  0.00  1.400E+04 /
  C4H8-1+O2  =  C4H7+HO2  2.700E+13  0.00  3.320E+04
           REV /  3.000E+11  0.00  0.000E+00 /
  C4H8-1+HO2  =  C4H7+H2O2  1.400E+12  0.00  1.490E+04
           REV /  3.160E+11  0.00  1.300E+04 /
  C4H8-1+C3H5-A  =  C4H7+C3H6  7.900E+10  0.00  1.240E+04
           REV /  1.000E+11  0.00  1.750E+04 /
  C4H8-1+OH  =  C4H7+H2O  2.250E+13  0.00  2.217E+03
           REV /  4.772E+12  0.00  2.647E+04 /
  C4H8-1+H  =  C4H7+H2  5.000E+13  0.00  3.900E+03
           REV /  4.000E+13  0.00  2.520E+04 /
  C4H8-1+CH3  =  C4H7+CH4  1.000E+11  0.00  7.300E+03
           REV /  6.000E+11  0.00  1.786E+04 /
  C4H8-1  =  H+C4H7  4.107E+18  -1.00  9.735E+04
           REV /  5.000E+13  0.00  0.000E+00 /
  C4H8-2+O2  =  C4H7+HO2  8.000E+13  0.00  3.540E+04
           REV /  3.000E+11  0.00  0.000E+00 /
  C4H8-2+HO2  =  C4H7+H2O2  3.200E+12  0.00  1.490E+04
           REV /  1.585E+11  0.00  1.470E+04 /
  C4H8-2+OH  =  C4H7+H2O  3.900E+13  0.00  2.217E+03
           REV /  4.772E+12  0.00  2.647E+04 /
  C4H8-2+H  =  C4H7+H2  5.000E+13  0.00  3.800E+03
           REV /  3.160E+13  0.00  2.230E+04 /
  C4H8-2+CH3  =  C4H7+CH4  1.000E+11  0.00  8.200E+03
           REV /  6.000E+11  0.00  1.876E+04 /
  C4H8-2  =  H+C4H7  4.107E+18  -1.00  9.735E+04
           REV /  5.000E+13  0.00  0.000E+00 /
  C2H3+C4H7  =  C2H4+C4H6  3.980E+12  0.00  0.000E+00
           REV /  1.157E+13  0.00  5.771E+04 /
  C2H5+C4H7  =  C2H4+C4H8-2  5.000E+11  0.00  0.000E+00
           REV /  8.478E+11  0.00  5.633E+04 /
  C2H5+C4H7  =  C2H4+C4H8-1  9.240E+06  1.50 -9.620E+02
           REV /  7.807E+02  2.91  5.096E+04 /
  C2H5+C4H7  =  C4H6+C2H6  3.980E+12  0.00  0.000E+00
           REV /  3.211E+12  0.00  4.984E+04 /
  H+C4H7  =  C4H6+H2  3.160E+13  0.00  0.000E+00
           REV /  1.066E+13  0.00  5.681E+04 /
  C4H7+O2  =  C4H6+HO2  1.000E+09  0.00  0.000E+00
           REV /  1.000E+11  0.00  1.700E+04 /
  C4H7+CH3  =  C4H6+CH4  8.000E+12  0.00  0.000E+00
           REV /  7.050E+13  0.00  5.728E+04 /
  C4H8-2+C4H6  =  C4H7+C4H7  2.350E+12  0.00  4.672E+04
           REV /  1.600E+12  0.00  0.000E+00 /
  C4H8-1+C4H6  =  C4H7+C4H7  2.350E+12  0.00  4.672E+04
           REV /  1.600E+12  0.00  0.000E+00 /
  C4H7+C3H6  =  C4H8-2+C3H5-A  1.000E+11  0.00  1.590E+04
           REV /  1.000E+11  0.00  1.500E+04 /
  C4H7  =  C2H4+C2H3  1.000E+11  0.00  3.700E+04
           REV /  5.000E+10  0.00  7.000E+03 /
  C4H7  =  C4H6+H  1.200E+14  0.00  4.930E+04
           REV /  4.000E+13  0.00  1.300E+03 /
  C5H9  =  C4H6+CH3  1.339E+15  -0.52  3.832E+04
           REV /  1.750E+11  0.00  7.600E+03 /
  C5H9  =  C3H5-A+C2H4  2.500E+13  0.00  4.500E+04
           REV /  0.000E+00  0.00  0.000E+00 /
  CC5H10  =  CH3+C4H7  1.000E+16  0.00  7.100E+04
           REV /  1.000E+13  0.00  0.000E+00 /
  BC5H10  =  CH3+C4H7  1.000E+16  0.00  7.100E+04
           REV /  1.000E+13  0.00  0.000E+00 /
HC11H23CO = CC9H19+CH3CHCO      1.834E+15  -0.73  1.291E+04
    REV /  1.510E+11  0.00  4.810E+03 /
!
!
HC11H23CHO+CH3  =HC11H23CO+CH4   2.608E+06  1.78  5.911E+03
    REV /  1.066E+07  1.77  2.278E+04 /
HC11H23CHO+HO2  =HC11H23CO+H2O2  3.010E+12  0.00  1.192E+04
    REV /  1.210E+13  -0.34  1.201E+04 /
HC11H23CHO+O  =HC11H23CO+OH      5.940E+12  0.00  1.868E+03
    REV /  4.080E+11  -0.01  1.617E+04 /
HC11H23CHO+H  =HC11H23CO+H2      1.340E+13  0.00  3.300E+03
    REV /  2.096E+12  -0.01  1.969E+04 /
HC11H23CHO+OH=HC11H23CO+H2O      2.000E+06  1.80  1.300E+03
    REV /  1.354E+06  1.79  3.285E+04 /
NFC6H11CO = IC3H6CO+C3H5-T      1.834E+15  -0.73  1.291E+04
    REV /  1.510E+11  0.00  4.810E+03 /
!
NFC6H11CHO+CH3  =NFC6H11CO+CH4   2.608E+06  1.78  5.911E+03
    REV /  1.066E+07  1.77  2.278E+04 /
NFC6H11CHO+HO2  =NFC6H11CO+H2O2  3.010E+12  0.00  1.192E+04
    REV /  1.210E+13  -0.34  1.201E+04 /
NFC6H11CHO+O  =NFC6H11CO+OH      5.940E+12  0.00  1.868E+03
    REV /  4.080E+11  -0.01  1.617E+04 /
NFC6H11CHO+H  =NFC6H11CO+H2      1.340E+13  0.00  3.300E+03
    REV /  2.096E+12  -0.01  1.969E+04 /
NFC6H11CHO+OH=NFC6H11CO+H2O      2.000E+06  1.80  1.300E+03
    REV /  1.354E+06  1.79  3.285E+04 /
NEC6H11CO = IC3H6CO+C3H5-T      1.834E+15  -0.73  1.291E+04
    REV /  1.510E+11  0.00  4.810E+03 /
!
!
NEC6H11CHO+CH3  =NEC6H11CO+CH4   2.608E+06  1.78  5.911E+03
    REV /  1.066E+07  1.77  2.278E+04 /
NEC6H11CHO+HO2  =NEC6H11CO+H2O2  3.010E+12  0.00  1.192E+04
    REV /  1.210E+13  -0.34  1.201E+04 /
NEC6H11CHO+O  =NEC6H11CO+OH      5.940E+12  0.00  1.868E+03
    REV /  4.080E+11  -0.01  1.617E+04 /
NEC6H11CHO+H  =NEC6H11CO+H2      1.340E+13  0.00  3.300E+03
    REV /  2.096E+12  -0.01  1.969E+04 /
NEC6H11CHO+OH=NEC6H11CO+H2O      2.000E+06  1.80  1.300E+03
    REV /  1.354E+06  1.79  3.285E+04 /
DC7H15CO = C3H6+TC4H9+CO      1.834E+15  -0.73  1.291E+04
    REV /  1.510E+11  0.00  4.810E+03 /
!
!
DC7H15CHO+CH3  =DC7H15CO+CH4   2.608E+06  1.78  5.911E+03
    REV /  1.066E+07  1.77  2.278E+04 /
DC7H15CHO+HO2  =DC7H15CO+H2O2  3.010E+12  0.00  1.192E+04
    REV /  1.210E+13  -0.34  1.201E+04 /
DC7H15CHO+O  =DC7H15CO+OH      5.940E+12  0.00  1.868E+03
    REV /  4.080E+11  -0.01  1.617E+04 /
DC7H15CHO+H  =DC7H15CO+H2      1.340E+13  0.00  3.300E+03
    REV /  2.096E+12  -0.01  1.969E+04 /
DC7H15CHO+OH=DC7H15CO+H2O      2.000E+06  1.80  1.300E+03
    REV /  1.354E+06  1.79  3.285E+04 /
IC7H13CO = C3H4-A+TC4H9+CO    1.834E+15  -0.73  1.291E+04
    REV /  1.510E+11  0.00  4.810E+03 /
!
!
IC7H13CHO+CH3  =IC7H13CO+CH4   2.608E+06  1.78  5.911E+03
    REV /  1.066E+07  1.77  2.278E+04 /
IC7H13CHO+HO2  =IC7H13CO+H2O2  3.010E+12  0.00  1.192E+04
    REV /  1.210E+13  -0.34  1.201E+04 /
IC7H13CHO+O  =IC7H13CO+OH      5.940E+12  0.00  1.868E+03
    REV /  4.080E+11  -0.01  1.617E+04 /
IC7H13CHO+H  =IC7H13CO+H2      1.340E+13  0.00  3.300E+03
    REV /  2.096E+12  -0.01  1.969E+04 /
IC7H13CHO+OH=IC7H13CO+H2O      2.000E+06  1.80  1.300E+03
    REV /  1.354E+06  1.79  3.285E+04 /
IC7CO = C3H4-P+TC4H9+CO    1.834E+15  -0.73  1.291E+04
    REV /  1.510E+11  0.00  4.810E+03 /
!
!
IC7CHO+CH3  =IC7CO+CH4   2.608E+06  1.78  5.911E+03
    REV /  1.066E+07  1.77  2.278E+04 /
IC7CHO+HO2  =IC7CO+H2O2  3.010E+12  0.00  1.192E+04
    REV /  1.210E+13  -0.34  1.201E+04 /
IC7CHO+O  =IC7CO+OH      5.940E+12  0.00  1.868E+03
    REV /  4.080E+11  -0.01  1.617E+04 /
IC7CHO+H  =IC7CO+H2      1.340E+13  0.00  3.300E+03
    REV /  2.096E+12  -0.01  1.969E+04 /
IC7CHO+OH=IC7CO+H2O      2.000E+06  1.80  1.300E+03
    REV /  1.354E+06  1.79  3.285E+04 /
IC10H19CO = OC7H15+C3H4-P+CO    1.834E+15  -0.73  1.291E+04
    REV /  1.510E+11  0.00  4.810E+03 /
!
!
IC10H19CHO+CH3  =IC10H19CO+CH4   2.608E+06  1.78  5.911E+03
    REV /  1.066E+07  1.77  2.278E+04 /
IC10H19CHO+HO2  =IC10H19CO+H2O2  3.010E+12  0.00  1.192E+04
    REV /  1.210E+13  -0.34  1.201E+04 /
IC10H19CHO+O  =IC10H19CO+OH      5.940E+12  0.00  1.868E+03
    REV /  4.080E+11  -0.01  1.617E+04 /
IC10H19CHO+H  =IC10H19CO+H2      1.340E+13  0.00  3.300E+03
    REV /  2.096E+12  -0.01  1.969E+04 /
IC10H19CHO+OH=IC10H19CO+H2O      2.000E+06  1.80  1.300E+03
    REV /  1.354E+06  1.79  3.285E+04 /
IC11H22CHO=NEOC5H11+C3H6+IC3H5CHO 5.374E+21 -2.32 3.278E+04
           REV /  1.500E+11  0.00  1.060E+04 /
!
AC11H23CO=NEOC5H11+C3H6+IC3H6CO 1.834E+15  -0.73  1.291E+04
    REV /  1.510E+11  0.00  4.810E+03 /
!
!
AC11H23CHO+CH3  =AC11H23CO+CH4  2.608E+06  1.78  5.911E+03
    REV /  1.066E+07  1.77  2.278E+04 /
AC11H23CHO+HO2  =AC11H23CO+H2O2  3.010E+12  0.00  1.192E+04
    REV /  1.210E+13  -0.34  1.201E+04 /
AC11H23CHO+O  =AC11H23CO+OH  5.940E+12  0.00  1.868E+03
    REV /  4.080E+11  -0.01  1.617E+04 /
AC11H23CHO+H  =AC11H23CO+H2  1.340E+13  0.00  3.300E+03
    REV /  2.096E+12  -0.01  1.969E+04 /
AC11H23CHO+OH=AC11H23CO+H2O  2.000E+06  1.80  1.300E+03
    REV /  1.354E+06  1.79  3.285E+04 /
TC4COC3H4=C3H4-A+TC4H9CO     1.000E+14  0.00  3.100E+04
    REV /  0.00  0.00  0.00 /
!
!
!   ALDEHYDES
!
TC4XCOC3H5=IC3H5CO+IC4H8      1.000E+14  0.00  3.100E+04
    REV /  0.00  0.00  0.00 /
TC4COC3H5+HO2=TC4COC3H4+H2O2 1.700E+13 0.00 2.046E+04
    REV /  2.272E+10  0.54  1.143E+04 /
TC4COC3H5+CH3=TC4COC3H4+CH4 3.960E+11 0.00  9.784E+03
    REV /  5.378E+08  0.86  1.754E+04 /
TC4COC3H5+O=TC4COC3H4+OH   5.130E+11  0.21  4.890E+03
    REV /  1.171E+07  1.08  1.007E+04 /
TC4COC3H5+H=TC4COC3H4+H2   2.300E+05  2.72  6.260E+03
    REV /  1.196E+01  3.58  1.354E+04 /
TC4COC3H5+OH=TC4COC3H4+H2O 3.380E+07  1.74  8.300E+02
    REV /  7.608E+03  2.60  2.326E+04 /
TC4COC3H5+CH3=TC4XCOC3H5+CH4  5.680E-14 8.06 4.150E+03
    REV /  1.850E-13  7.89  1.005E+04 /
TC4COC3H5+HO2=TC4XCOC3H5+H2O2  3.360E+13 0.0 2.043E+04
    REV /  1.077E+14  -0.50  9.541E+03 /
TC4COC3H5+OH=TC4XCOC3H5+H2O  3.162E+07 1.80  2.981E+02
    REV /  1.707E+07  1.63  2.087E+04 /
TC4COC3H5+O=TC4XCOC3H5+OH   1.140E+04  3.05  3.123E+03
    REV /  6.243E+02  2.88  6.447E+03 /
TC4COC3H5+H=TC4XCOC3H5+H2   9.788E+05  2.77  8.147E+03
    REV /  1.220E+05  2.60  1.357E+04 /
NC9H18COCH3=CH2CO+IC4H8+NEOC5H11 1.000E+14 0.00  3.100E+04
    REV /  0.00  0.00  0.00 /
!
!
NC9H19COCH2=CH2CO+IC4H8+AC5H11  1.000E+14  0.00  3.100E+04
    REV /  0.00  0.00  0.00 /
NC9H19COCH3+HO2=NC9H19COCH2+H2O2 1.700E+13 0.00 2.046E+04
    REV /  2.272E+10  0.54  1.143E+04 /
NC9H19COCH3+CH3=NC9H19COCH2+CH4 3.960E+11 0.00  9.784E+03
    REV /  5.378E+08  0.86  1.754E+04 /
NC9H19COCH3+O=NC9H19COCH2+OH  5.130E+11  0.21  4.890E+03
    REV /  1.171E+07  1.08  1.007E+04 /
NC9H19COCH3+H=NC9H19COCH2+H2 2.300E+05  2.72  6.260E+03
    REV /  1.196E+01  3.58  1.354E+04 /
NC9H19COCH3+OH=NC9H19COCH2+H2O 3.380E+07  1.74  8.300E+02
    REV /  7.608E+03  2.60  2.326E+04 /
NC9H19COCH3+CH3=NC9H18COCH3+CH4 5.680E-14 8.06 4.150E+03
    REV /  1.850E-13  7.89  1.005E+04 /
NC9H19COCH3+HO2=NC9H18COCH3+H2O2 3.360E+13 0.0 2.043E+04
    REV /  1.077E+14  -0.50  9.541E+03 /
NC9H19COCH3+OH=NC9H18COCH3+H2O 3.162E+07 1.80  2.981E+02
    REV /  1.707E+07  1.63  2.087E+04 /
NC9H19COCH3+O=NC9H18COCH3+OH  1.140E+04  3.05  3.123E+03
    REV /  6.243E+02  2.88  6.447E+03 /
NC9H19COCH3+H=NC9H18COCH3+H2  9.788E+05  2.77  8.147E+03
    REV /  1.220E+05  2.60  1.357E+04 /
NEC5XCOCH3=CH2CO+IC4H8+CH3  1.000E+14  0.00  3.100E+04
    REV /  0.00  0.00  0.00 /
!
!
NEC5COCH2=CH2CO+IC4H8+CH3  1.000E+14  0.00  3.100E+04
    REV /  0.00  0.00  0.00 /
NEC5COCH3+HO2=NEC5COCH2+H2O2 1.700E+13 0.00 2.046E+04
    REV /  2.272E+10  0.54  1.143E+04 /
NEC5COCH3+CH3=NEC5COCH2+CH4 3.960E+11 0.00  9.784E+03
    REV /  5.378E+08  0.86  1.754E+04 /
NEC5COCH3+O=NEC5COCH2+OH  5.130E+11  0.21  4.890E+03
    REV /  1.171E+07  1.08  1.007E+04 /
NEC5COCH3+H=NEC5COCH2+H2 2.300E+05  2.72  6.260E+03
    REV /  1.196E+01  3.58  1.354E+04 /
NEC5COCH3+OH=NEC5COCH2+H2O 3.380E+07  1.74  8.300E+02
    REV /  7.608E+03  2.60  2.326E+04 /
NEC5COCH3+CH3=NEC5XCOCH3+CH4 5.680E-14 8.06 4.150E+03
    REV /  1.850E-13  7.89  1.005E+04 /
NEC5COCH3+HO2=NEC5XCOCH3+H2O2 3.360E+13 0.0 2.043E+04
    REV /  1.077E+14  -0.50  9.541E+03 /
NEC5COCH3+OH=NEC5XCOCH3+H2O 3.162E+07 1.80  2.981E+02
    REV /  1.707E+07  1.63  2.087E+04 /
NEC5COCH3+O=NEC5XCOCH3+OH  1.140E+04  3.05  3.123E+03
    REV /  6.243E+02  2.88  6.447E+03 /
NEC5COCH3+H=NEC5XCOCH3+H2  9.788E+05  2.77  8.147E+03
    REV /  1.220E+05  2.60  1.357E+04 /
HC7COC4H8 =NEOC5H11+CH3CHCO+IC4H8 5.374E+21 -2.32 3.278E+04
           REV /  1.500E+11  0.00  1.060E+04 /
!
!
AC9H17 = PC7H13+C2H4       1.000E+13  0.00  45000.
     REV / 0.00  0.00  0.00   /
!
!
AC9H17 = IC6H11+C3H6        1.000E+13  0.00  45000.
     REV / 0.00  0.00  0.00   /
AC9H17 = IC5H9+IC4H8       1.000E+13  0.00  45000.
     REV / 0.00  0.00  0.00   /
AC9H17 = IC4H7+CC5H10      1.000E+13  0.00  45000.
     REV / 0.00  0.00  0.00   /
AC9H17 = C3H5-A+NEOC6H12   1.000E+13  0.00  45000.
     REV / 0.00  0.00  0.00   /
AC10H19 = PC7H13+C3H6       1.000E+13  0.00  45000.
     REV / 0.00  0.00  0.00   /
!
!
AC10H19 = IC6H11+IC4H8       1.000E+13  0.00  45000.
     REV / 0.00  0.00  0.00   /
AC10H19 = IC5H9+CC5H10      1.000E+13  0.00  45000.
     REV / 0.00  0.00  0.00   /
AC10H19 = IC4H7+NEOC6H12    1.000E+13  0.00  45000.
     REV / 0.00  0.00  0.00   /
AC10H19 = C3H5-A+OC7H14     1.000E+13  0.00  45000.
     REV / 0.00  0.00  0.00   /
AC11H21 = PC7H13+IC4H8      2.000E+13  0.00  45000.!A*2
     REV / 0.00  0.00  0.00   /
!
!
AC11H21 = IC6H11+CC5H10      2.000E+13  0.00  45000.!A*2
     REV / 0.00  0.00  0.00   /
AC11H21 = IC5H9+NEOC6H12    5.000E+12  0.00  45000.!A/2
     REV / 0.00  0.00  0.00   /
AC11H21 = IC4H7+OC7H14      5.000E+12  0.00  45000.!A/2
     REV / 0.00  0.00  0.00   /
AC11H21 = C3H5-A+IC8H16     2.000E+13  0.00  45000.!A*2
     REV / 0.00  0.00  0.00   /
AC12H23 = PC7H13+CC5H10     1.000E+13  0.00  45000.
     REV / 0.00  0.00  0.00   /
!
!
AC12H23 = IC6H11+NEOC6H12    1.000E+13  0.00  45000.
     REV / 0.00  0.00  0.00   /
AC12H23 = IC5H9+OC7H14      1.000E+13  0.00  45000.
     REV / 0.00  0.00  0.00   /
AC12H23 = IC4H7+JC8H16      1.000E+13  0.00  45000.
     REV / 0.00  0.00  0.00   /
AC12H23 = C3H5-A+AC9H18     1.000E+13  0.00  45000.
     REV / 0.00  0.00  0.00   /
AC15H29 = PC7H13+IC8H16      2.000E+13  0.00  45000.!A*2
     REV / 0.00  0.00  0.00   /
!
!
!
AC15H29 = IC6H11+AC9H18      1.000E+13  0.00  45000.
     REV / 0.00  0.00  0.00   /
AC15H29 = IC5H9+AC10H20      5.000E+12  0.00  45000.!A/2
     REV / 0.00  0.00  0.00   /
AC15H29 = IC4H7+AC11H22      2.000E+13  0.00  45000.!A*2
     REV / 0.00  0.00  0.00   /
AC15H29 = C3H5-A+AC12H24     2.000E+13  0.00  45000.!A*2
     REV / 0.00  0.00  0.00   /
IC7H14CO+O = IC7H13CO+OH     1.000E+12  0.00  4000.
    REV / 7.000E+11  0.00   29900.  /
!
!
!
!    ADDITION REACTIONS OF OLEFINS
!    THERMAL DECOMPOSITION REACTIONS OF OLEFINS
!
!    ALKENYL DECOMPOSITIONS
!
IC7H14CO+CH3 = IC7H13CO+CH4  1.000E+12  0.00  7300.
    REV / 3.226E+14  -0.63  25000.  /
IC7H14CO+H = IC7H13CO+H2     3.700E+13  0.00  3900.
    REV / 2.255E+14  -0.46  23990.  /
IC7H14CO+OH = IC7H13CO+H2O   3.000E+13  0.00  1200.
    REV / 7.917E+14  -0.46  36480.  /
AC9H18+O = AC9H17+OH     1.000E+12  0.00  4000.
    REV / 7.000E+11  0.00   29900.  /
!
!
AC9H18+CH3 = AC9H17+CH4  1.000E+12  0.00  7300.
    REV / 3.226E+14  -0.63  25000.  /
AC9H18+H = AC9H17+H2     3.700E+13  0.00  3900.
    REV / 2.255E+14  -0.46  23990.  /
AC9H18+OH = AC9H17+H2O   3.000E+13  0.00  1200.
    REV / 7.917E+14  -0.46  36480.  /
AC10H20+O = AC10H19+OH     1.000E+12  0.00  4000.
    REV / 7.000E+11  0.00   29900.  /
AC10H20+CH3 = AC10H19+CH4  1.000E+12  0.00  7300.
    REV / 3.226E+14  -0.63  25000.  /
AC10H20+H = AC10H19+H2     3.700E+13  0.00  3900.
    REV / 2.255E+14  -0.46  23990.  /
AC10H20+OH = AC10H19+H2O   3.000E+13  0.00  1200.
    REV / 7.917E+14  -0.46  36480.  /
DC11H22+O = AC11H21+OH     1.000E+12  0.00  4000.
    REV / 7.000E+11  0.00   29900.  /
DC11H22+CH3 = AC11H21+CH4  1.000E+12  0.00  7300.
    REV / 3.226E+14  -0.63  25000.  /
DC11H22+H = AC11H21+H2     3.700E+13  0.00  3900.
    REV / 2.255E+14  -0.46  23990.  /
DC11H22+OH = AC11H21+H2O   3.000E+13  0.00  1200.
    REV / 7.917E+14  -0.46  36480.  /
CC11H22+O = AC11H21+OH     1.000E+12  0.00  4000.
    REV / 7.000E+11  0.00   29900.  /
CC11H22+CH3 = AC11H21+CH4  1.000E+12  0.00  7300.
    REV / 3.226E+14  -0.63  25000.  /
CC11H22+H = AC11H21+H2     3.700E+13  0.00  3900.
    REV / 2.255E+14  -0.46  23990.  /
CC11H22+OH = AC11H21+H2O   1.500E+13  0.00  1200.!A/2
    REV / 7.917E+14  -0.46  36480.  /
BC11H22+O = AC11H21+OH     1.000E+12  0.00  4000.
    REV / 7.000E+11  0.00   29900.  /
BC11H22+CH3 = AC11H21+CH4  1.000E+12  0.00  7300.
    REV / 3.226E+14  -0.63  25000.  /
BC11H22+H = AC11H21+H2     3.700E+13  0.00  3900.
    REV / 2.255E+14  -0.46  23990.  /
BC11H22+OH = AC11H21+H2O   1.500E+13  0.00  1200.!A/2
    REV / 7.917E+14  -0.46  36480.  /
AC11H22+O = AC11H21+OH     1.000E+12  0.00  4000.
    REV / 7.000E+11  0.00   29900.  /
AC11H22+CH3 = AC11H21+CH4  1.000E+12  0.00  7300.
    REV / 3.226E+14  -0.63  25000.  /
AC11H22+H = AC11H21+H2     3.700E+13  0.00  3900.
    REV / 2.255E+14  -0.46  23990.  /
AC11H22+OH = AC11H21+H2O   1.500E+13  0.00  1200.!A/2
    REV / 7.917E+14  -0.46  36480.  /
AC12H24+O = AC12H23+OH     1.000E+12  0.00  4000.
    REV / 7.000E+11  0.00   29900.  /
AC12H24+CH3 = AC12H23+CH4  1.000E+12  0.00  7300.
    REV / 3.226E+14  -0.63  25000.  /
AC12H24+H = AC12H23+H2     3.700E+13  0.00  3900.
    REV / 2.255E+14  -0.46  23990.  /
AC12H24+OH = AC12H23+H2O   3.000E+13  0.00  1200.
    REV / 7.917E+14  -0.46  36480.  /
IC15H30+O = AC15H29+OH     1.000E+12  0.00  4000.
    REV / 7.000E+11  0.00   29900.  /
IC15H30+CH3 = AC15H29+CH4  1.000E+12  0.00  7300.
    REV / 3.226E+14  -0.63  25000.  /
IC15H30+H = AC15H29+H2     3.700E+13  0.00  3900.
    REV / 2.255E+14  -0.46  23990.  /
IC15H30+OH = AC15H29+H2O   3.000E+13  0.00  1200.
    REV / 7.917E+14  -0.46  36480.  /
HC15H30+O = AC15H29+OH     1.000E+12  0.00  4000.
    REV / 7.000E+11  0.00   29900.  /
HC15H30+CH3 = AC15H29+CH4  1.000E+12  0.00  7300.
    REV / 3.226E+14  -0.63  25000.  /
HC15H30+H = AC15H29+H2     3.700E+13  0.00  3900.
    REV / 2.255E+14  -0.46  23990.  /
HC15H30+OH = AC15H29+H2O   1.500E+13  0.00  1200.!A/2
    REV / 7.917E+14  -0.46  36480.  /
GC15H30+O = AC15H29+OH     1.000E+12  0.00  4000.
    REV / 7.000E+11  0.00   29900.  /
GC15H30+CH3 = AC15H29+CH4  1.000E+12  0.00  7300.
    REV / 3.226E+14  -0.63  25000.  /
GC15H30+H = AC15H29+H2     3.700E+13  0.00  3900.
    REV / 2.255E+14  -0.46  23990.  /
GC15H30+OH = AC15H29+H2O   3.000E+13  0.00  1200.
    REV / 7.917E+14  -0.46  36480.  /
FC15H30+O = AC15H29+OH     1.000E+12  0.00  4000.
    REV / 7.000E+11  0.00   29900.  /
FC15H30+CH3 = AC15H29+CH4  1.000E+12  0.00  7300.
    REV / 3.226E+14  -0.63  25000.  /
FC15H30+H = AC15H29+H2     3.700E+13  0.00  3900.
    REV / 2.255E+14  -0.46  23990.  /
FC15H30+OH = AC15H29+H2O   3.000E+13  0.00  1200.
    REV / 7.917E+14  -0.46  36480.  /
EC15H30+O = AC15H29+OH     1.000E+12  0.00  4000.
    REV / 7.000E+11  0.00   29900.  /
EC15H30+CH3 = AC15H29+CH4  1.000E+12  0.00  7300.
    REV / 3.226E+14  -0.63  25000.  /
EC15H30+H = AC15H29+H2     3.700E+13  0.00  3900.
    REV / 2.255E+14  -0.46  23990.  /
EC15H30+OH = AC15H29+H2O   3.000E+13  0.00  1200.
    REV / 7.917E+14  -0.46  36480.  /
DC15H30+O = AC15H29+OH     1.000E+12  0.00  4000.
    REV / 7.000E+11  0.00   29900.  /
DC15H30+CH3 = AC15H29+CH4  1.000E+12  0.00  7300.
    REV / 3.226E+14  -0.63  25000.  /
DC15H30+H = AC15H29+H2     3.700E+13  0.00  3900.
    REV / 2.255E+14  -0.46  23990.  /
DC15H30+OH = AC15H29+H2O   3.000E+13  0.00  1200.
    REV / 7.917E+14  -0.46  36480.  /
CC15H30+O = AC15H29+OH     1.000E+12  0.00  4000.
    REV / 7.000E+11  0.00   29900.  /
CC15H30+CH3 = AC15H29+CH4  1.000E+12  0.00  7300.
    REV / 3.226E+14  -0.63  25000.  /
CC15H30+H = AC15H29+H2     3.700E+13  0.00  3900.
    REV / 2.255E+14  -0.46  23990.  /
CC15H30+OH = AC15H29+H2O   1.500E+13  0.00  1200.!A/2
    REV / 7.917E+14  -0.46  36480.  /
BC15H30+O = AC15H29+OH     1.000E+12  0.00  4000.
    REV / 7.000E+11  0.00   29900.  /
BC15H30+CH3 = AC15H29+CH4  1.000E+12  0.00  7300.
    REV / 3.226E+14  -0.63  25000.  /
BC15H30+H = AC15H29+H2     3.700E+13  0.00  3900.
    REV / 2.255E+14  -0.46  23990.  /
BC15H30+OH = AC15H29+H2O   3.000E+13  0.00  1200.
    REV / 7.917E+14  -0.46  36480.  /
AC15H30+O = AC15H29+OH     1.000E+12  0.00  4000.
    REV / 7.000E+11  0.00   29900.  /
AC15H30+CH3 = AC15H29+CH4  1.000E+12  0.00  7300.
    REV / 3.226E+14  -0.63  25000.  /
AC15H30+H = AC15H29+H2     3.700E+13  0.00  3900.
    REV / 2.255E+14  -0.46  23990.  /
AC15H30+OH = AC15H29+H2O   3.000E+13  0.00  1200.
    REV / 7.917E+14  -0.46  36480.  /
CC9H19 = NEOC5H11+IC4H8       5.00E+12  0.00  28000.
   REV /  0.00  0.00  0.00 /
!
!
!
SC11H23 = C3H6+CC8H17         5.00E+12  0.00  28000.
   REV /  0.00  0.00  0.00 /
AC11H23 = IC4H8+PC7H15        5.00E+12  0.00  28000.
   REV /  0.00  0.00  0.00 /
FC12H25 = C3H6+CC9H19         5.00E+12  0.00  28000.
   REV /  0.00  0.00  0.00 /
AC12H25 = IC4H8+DC8H17        5.00E+12  0.00  28000.
   REV /  0.00  0.00  0.00 /
DC15H31 = IC4H8+C3H6+CC8H17   5.00E+12  0.00  28000.
   REV /  0.00  0.00  0.00 /
CC15H31 = PC7H14+CC8H17       5.00E+12  0.00  28000.
   REV /  0.00  0.00  0.00 /
BC15H31 = PC7H15+JC8H16       5.00E+12  0.00  28000.
   REV /  0.00  0.00  0.00 /
AC15H31 = IC4H8+IC4H8+PC7H15  5.00E+12  0.00  28000.
   REV /  0.00  0.00  0.00 /
END
