Development of Abraham Model Correlations for Solute Transfer into the tert-Butyl Acetate Mono-Solvent and Updated Equations for Both Ethyl Acetate and Butyl Acetate
Abstract
:1. Introduction
(N = 106, SD = 0.165, R2 = 0.996, F = 4475.1)
(N = 106, SD = 0.148, R2 = 0.998, F = 15,635.1)
(N = 73, SD = 0.160, R2 = 0.998, F = 7380)
(N = 73, SD = 0.157, R2 = 0.998, F = 6174.7)
2. Experimental Methodology
3. Results and Discussion
(with N = 34, SD = 0.100, R2 = 0.994, F = 990.6)
(with N = 34, SD = 0.103, R2 = 0.999, F = 5319),
(with N = 170, SD = 0.144, R2 = 0.996, F = 7548)
(with N = 170, SD = 0.131, R2 = 0.999, F = 42942)
(with N = 108, SD = 0.140, R2 = 0.998, F = 11519)
(with N = 108, SD = 0.148, R2 = 0.999, F = 17169)
4. Conclusions
Author Contributions
Funding
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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Chemical | Supplier | Purification Method | Purity (Mass Fraction) |
---|---|---|---|
tert-Butyl acetate | TCI America, Portland, OR, USA | Stored over activated molecular sieves and distilled | 0.997 |
1-Chloroanthraquinone | Aldrich Chemical Company, Milwaukee, WI, USA | Recrystallized from anhydrous methanol | 0.997 |
2-Ethylanthraquinone | Aldrich Chemical Company | Recrystallized from anhydrous methanol | 0.996 |
Acenaphthene | Aldrich Chemical Company | Recrystallized from anhydrous methanol | 0.997 |
Benzil | Aldrich Chemical Company | Recrystallized from anhydrous methanol | 0.997 |
Anthracene | Aldrich Chemical Company | Recrystallized from anhydrous acetone | 0.997 |
Acetylsalicylic acid | Aldrich Chemical Company | Dried for two days at 333 K | 0.998 |
Diphenyl sulfone | Aldrich Chemical Company | Recrystallized from anhydrous methanol | 0.996 |
Salicylamide | Aldrich Chemical Company | Recrystallized from anhydrous methanol | 0.997 |
Benzoin | Aldrich Chemical Company | Recrystallized from anhydrous methanol | 0.997 |
Xanthene | Aldrich Chemical Company | Recrystallized from anhydrous methanol | 0.996 |
Benzoic acid | Aldrich Chemical Company | Dried for two days at 333 K | 0.998 |
4-tert-Butylbenzoic acid | TCI America Chemical Company | Dried for two days at 333 K | 0.998 |
3-Chlorobenzoic acid | Aldrich Chemical Company | Dried for two days at 333 K | 0.997 |
4-Chlorobenzoic acid | Acros Organics, Morris Plains, NJ, USA | Dried for two days at 333 K | 0.996 |
2-Chloro-5-nitrobenzoic acid | Acros Organics | Dried for two days at 333 K | 0.998 |
4-Chloro-3-nitrobenzoic acid | Acros Organics | Dried for two days at 333 K | 0.998 |
3,4-Dichlorobenzoic acid | Aldrich Chemical Company | Dried for two days at 333 K | 0.998 |
Hippuric acid | TCI America | Dried for two days at 333 K | 0.997 |
2-Hydroxybenzoic acid | Aldrich Chemical Company | Dried for two days at 333 K | 0.997 |
2-Methoxybenzoic acid | Aldrich Chemical Company | Dried for two days at 333 K | 0.998 |
4-Methoxybenzoic acid | Aldrich Chemical Company | Dried for two days at 333 K | 0.998 |
3,4-Dimethoxybenzoic acid | Acros Organics | Dried for two days at 333 K | 0.998 |
3,4,5-Trimethoxybenzoic acid | Aldrich Chemical Company | Dried for two days at 333 K | 0.998 |
2-Methylbenzoic acid | Aldrich Chemical Company | Dried for two days at 333 K | 0.998 |
3-Methylbenzoic acid | Aldrich Chemical Company | Dried for two days at 333 K | 0.998 |
2-Methyl-3-nitrobenzoic acid | Aldrich Chemical Company | Dried for two days at 333 K | 0.997 |
3-Methyl-4-nitrobenzoic acid | Aldrich Chemical Company | Dried for two days at 333 K | 0.997 |
4-Methyl-3-nitrobenzoic acid | Aldrich Chemical Company | Dried for two days at 333 K | 0.998 |
3-Nitrobenzoic acid | Aldrich Chemical Company | Dried for two days at 333 K | 0.996 |
4-Nitrobenzoic acid | Acros Organics | Dried for two days at 333 K | 0.998 |
3,5-Dinitrobenzoic acid | Aldrich Chemical Company | Dried for two days at 333 K | 0.997 |
Toluene | Aldrich Chemical Company | None | 0.998, anhydrous |
Sodium methoxide, 25 mass % solution in methanol | Aldrich Chemical Company | None | |
2-Propanol | Aldrich Chemical Company | None | 0.99 |
Chemical | Analysis Wavelength | Molar Concentration Range |
---|---|---|
1-Chloroanthraquinone | 337 (nm) | 8.79 × 10−5 to 2.93 × 10−4 |
2-Ethylanthraquinone | 325 (nm) | 1.21 × 10−4 to 4.04 × 10−4 |
Acenaphthene | 289 (nm) | 8.05 × 10−5 to 2.68 × 10−4 |
Benzil | 390 (nm) | 5.49 × 10−3 to 1.83 × 10−2 |
Anthracene | 356 (nm) | 6.76 × 10−5 to 2.25 × 10−4 |
Acetylsalicylic acid | 272 (nm) | 4.19 × 10−4 to 1.40 × 10−3 |
Diphenyl sulfone | 267 (nm) | 2.71 × 10−4 to 9.03 × 10−4 |
Salicylamide | 300 (nm) | 1.06 × 10−4 to 3.55 × 10−4 |
Benzoin | 313 (nm) | 1.11 × 10−3 to 3.71 × 10−3 |
Xanthene | 280 (nm) | 1.79 × 10−4 to 5.95 × 10−4 |
Benzoic acid | 275 (nm) | 4.88 × 10−4 to 1.63 × 10−3 |
4-tert-Butylbenzoic acid | 275 (nm) | 2.86 × 10−4 to 9.54 × 10−4 |
3-Chlorobenzoic acid | 280 (nm) | 4.99 × 10−4 to 1.66 × 10−3 |
4-Chlorobenzoic acid | 272 (nm) | 4.60 × 10−4 to 1.53 × 10−3 |
2-Chloro-5-nitrobenzoic acid | 280 (nm) | 8.79 × 10−5 to 2.93 × 10−4 |
4-Chloro-3-nitrobenzoic acid | 292 (nm) | 3.72 × 10−4 to 1.34 × 10−3 |
3,4-Dichlorobenzoic acid | 280 (nm) | 4.60 × 10−4 to 1.53 × 10−3 |
Hippuric acid | 269 (nm) | 6.74 × 10−4 to 2.25 × 10−3 |
2-Methoxybenzoic acid | 295 (nm) | 1.61 × 10−4 to 5.37 × 10−4 |
4-Methoxybenzoic acid | 273 (nm) | 9.72 × 10−5 to 3.24 × 10−4 |
3,4-Dimethoxybenzoic acid | 286 (nm) | 9.23 × 10−5 to 3.08 × 10−4 |
3,4,5-Trimethoxybenzoic acid | 289 (nm) | 1.35 × 10−4 to 4.49 × 10−4 |
2-Methylbenzoic acid | 279 (nm) | 4.49 × 10−4 to 1.50 × 10−3 |
3-Methylbenzoic acid | 280 (nm) | 3.97 × 10−4 to 1.32 × 10−3 |
3-Methyl-4-nitrobenzoic acid | 295 (nm) | 1.73 × 10−4 to 5.78 × 10−4 |
4-Methyl-3-nitrobenzoic acid | 295 (nm) | 3.29 × 10−4 to 1.10 × 10−3 |
3-Nitrobenzoic acid | 280 (nm) | 1.51 × 10−4 to 5.06 × 10−4 |
4-Nitrobenzoic acid | 272 (nm) | 4.51 × 10−5 to 1.50 × 10−4 |
3,5-Dinitrobenzoic acid | 267 (nm) | 6.35 × 10−5 to 2.12 × 10−4 |
Solute | Tmp,initial/K | Tmp,equilibrated/K |
---|---|---|
Benzil | 368.5 ± 0.5 | 368.2 ± 0.4 |
Anthracene | 490.3 ± 0.4 | 490.0 ± 0.5 |
Acenaphthene | 367.0 ± 0.4 | 367.2 ± 0.5 |
Xanthene | 374.6 ± 0.5 | 374.3 ± 0.5 |
1-Chloroanthraquinone | 435.4 ± 0.5 | 435.2 ± 0.4 |
Benzoic acid | 395.6 ± 0.4 | 395.8 ± 0.4 |
4-tert-Butylbenzoic acid | 441.7 ± 0.6 | 441.6 ± 0.4 |
3-Chlorobenzoic acid | 427.9 ± 0.4 | 428.1 ± 0.3 |
4-Chlorobenzoic acid | 512.5 ± 0.3 | 512.8 ± 0.4 |
3,4-Dichlorobenzoic acid | 479.2 ± 0.5 | 479.1 ± 0.4 |
3,4-Dimethoxybenzoic acid | 454.3 ± 0.4 | 454.5 ± 0.5 |
3,4,5-Trimethoxybenzoic acid | 445.6 ± 0.6 | 445.8 ± 0.5 |
2-Hydroxybenzoic acid | 432.7 ± 0.5 | 432.9 ± 0.5 |
2-Methoxybenzoic acid | 374.7 ± 0.5 | 374.8 ± 0.4 |
4-Methoxybenzoic acid | 456.6 ± 0.5 | 456.3 ± 0.4 |
2-Methylbenzoic acid | 376.5 ± 0.4 | 376.7 ± 0.4 |
3-Methylbenzoic acid | 382.4 ± 0.4 | 382.5 ± 0.4 |
2-Methyl-3-nitrobenzoic acid | 455.5 ± 0.4 | 455.2 ± 0.5 |
3-Methyl-4-nitrobenzoic acid | 490.7 ± 0.5 | 491.0 ± 0.5 |
4-Methyl-3-nitrobenzoic acid | 461.2 ± 0.6 | 461.6 ± 0.6 |
3-Nitrobenzoic acid | 414.7 ± 0.4 | 414.4 ± 0.5 |
4-Nitrobenzoic acid | 512.6 ± 0.5 | 512.5 ± 0.4 |
3,5-Dinitrobenzoic acid | 481.4 ± 0.5 | 481.3 ± 0.4 |
2-Chloro-5-nitrobenzoic acid | 440.1 ± 0.5 | 440.4 ± 0.5 |
4-Chloro-3-nitrobenzoic acid | 456.3 ± 0.5 | 456.5 ± 0.5 |
2-Ethylanthraquinone | 383.9 ± 0.5 | 384.2 ± 0.5 |
Diphenyl sulfone | 398.2 ± 0.4 | 397.9 ± 0.5 |
Acetylsalicylic acid | 413.7 ± 0.5 | 413.3 ± 0.6 |
Salicylamide | 413.2 ± 0.5 | 413.4 ± 0.4 |
Benzoin | 410.4 ± 0.4 | 410.7 ± 0.5 |
Hippuric acid | 463.2 ± 0.5 | 462.8 ± 0.5 |
Chemical Name | XS,organic | Chemical Name | XS,organic |
---|---|---|---|
1-Chloroanthraquinone | 0.003494 | 3,4-Dichlorobenzoic acid | 0.01216 |
2-Ethylanthraquinone | 0.02086 | 2-Hydroxybenzoic acid | 0.1187 |
Acenaphthene | 0.09654 | Hippuric acid | 0.0005241 |
Benzil | 0.09184 | 2-Methoxybenzoic acid | 0.02938 |
Anthracene | 0.003755 | 4-Methoxybenzoic acid | 0.006635 |
Acetylsalicylic acid | 0.02041 | 3,4-Dimethoxybenzoic acid | 0.003625 |
Diphenyl sulfone | 0.02108 | 3,4,5-Trimethoxybenzoic acid | 0.007172 |
Salicylamide | 0.04114 | 2-Methylbenzoic acid | 0.1170 |
Benzoin | 0.006353 | 3-Methylbenzoic acid | 0.1114 |
Xanthene | 0.08530 | 2-Methyl-3-nitrobenzoic acid | 0.02141 |
Benzoic acid | 0.1295 | 3-Methyl-4-nitrobenzoic acid | 0.008034 |
4-tert-Butylbenzoic acid | 0.06369 | 4-Methyl-3-nitrobenzoic acid | 0.01549 |
3-Chlorobenzoic acid | 0.04934 | 3-Nitrobenzoic acid | 0.07749 |
4-Chlorobenzoic acid | 0.007404 | 4-Nitrobenzoic acid | 0.006436 |
2-Chloro-5-nitrobenzoic acid | 0.03879 | 3,5-Dinitrobenzoic acid | 0.02331 |
4-Chloro-3-nitrobenzoic acid | 0.01991 |
Solute | Log K a | Log P b |
---|---|---|
tert-Butyl acetate | 3.53 c | 2.09 |
Benzil | 8.74 | 3.87 |
Anthracene | 7.90 | 4.87 |
Acenaphthene | 6.75 | 4.39 |
Xanthene | 7.51 | 5.01 |
1-Chloroanthraquinone | 9.99 | 3.95 |
Benzoic acid | 6.68 | 1.54 |
4-tert-Butylbenzoic acid | 8.79 | 3.56 |
3-Chlorobenzoic acid | 7.36 | 2.22 |
4-Chlorobenzoic acid | 7.10 | 2.30 |
3,4-Dichlorobenzoic acid | 7.67 | 2.93 |
3,4-Dimethoxybenzoic acid | 9.37 | 0.92 |
3,4,5-Trimethoxybenzoic acid | 10.53 | 1.27 |
2-Hydroxybenzoic acid | 7.23 | 1.87 |
2-Methoxybenzoic acid | 7.69 | 0.89 |
4-Methoxybenzoic acid | 8.19 | 1.49 |
2-Methylbenzoic acid | 6.30 | 2.00 |
3-Methylbenzoic acid | 7.04 | 2.06 |
2-Methyl-3-nitrobenzoic acid | 8.65 | 1.91 |
3-Methyl-4-nitrobenzoic acid | 8.37 | 2.00 |
4-Methyl-3-nitrobenzoic acid | 9.03 | 1.72 |
3-Nitrobenzoic acid | 8.37 | 1.44 |
4-Nitrobenzoic acid | 8.56 | 1.66 |
3,5-Dinitrobenzoic acid | 9.95 | 1.65 |
2-Chloro-5-nitrobenzoic acid | 9.00 | 2.05 |
4-Chloro-3-nitrobenzoic acid | 9.38 | 2.17 |
2-Ethylanthraquinone | 9.53 | 4.71 |
Diphenyl sulfone | 10.22 | 2.83 |
Acetylsalicylic acid | 9.36 | 0.86 |
Salicylamide | 8.92 | 1.24 |
Benzoin | 11.07 | 2.34 |
Hippuric acid | 11.72 | −0.55 |
Lovastatin | 18.10 | 4.09 |
Simvastatin | 18.17 | 4.23 |
Solute | E | S | A | B | L | V |
---|---|---|---|---|---|---|
Radon | 0.000 | 0.000 | 0.000 | 0.000 | 0.877 | 0.3840 |
Hydrogen | 0.000 | 0.000 | 0.000 | 0.000 | −1.200 | 0.1086 |
Oxygen | 0.000 | 0.000 | 0.000 | 0.000 | −0.723 | 0.1830 |
Nitrogen | 0.000 | 0.000 | 0.000 | 0.000 | −0.978 | 0.2222 |
Carbon monoxide | 0.000 | 0.000 | 0.000 | 0.040 | −0.836 | 0.2220 |
Sulfur dioxide | 0.370 | 0.660 | 0.240 | 0.190 | 0.778 | 0.3465 |
Ethane | 0.000 | 0.000 | 0.000 | 0.000 | 0.492 | 0.3904 |
2-Methylpropane | 0.000 | 0.000 | 0.000 | 0.000 | 1.409 | 0.6722 |
Pentane | 0.000 | 0.000 | 0.000 | 0.000 | 2.162 | 0.8131 |
Hexane | 0.000 | 0.000 | 0.000 | 0.000 | 2.668 | 0.9540 |
Heptane | 0.000 | 0.000 | 0.000 | 0.000 | 3.173 | 1.0949 |
Octane | 0.000 | 0.000 | 0.000 | 0.000 | 3.677 | 1.2358 |
Nonane | 0.000 | 0.000 | 0.000 | 0.000 | 4.182 | 1.3767 |
Octadecane | 0.000 | 0.000 | 0.000 | 0.000 | 8.722 | 2.6448 |
Nonadecane | 0.000 | 0.000 | 0.000 | 0.000 | 9.226 | 2.7857 |
Eicosane | 0.000 | 0.000 | 0.000 | 0.000 | 9.731 | 2.9266 |
Docosane | 0.000 | 0.000 | 0.000 | 0.000 | 10.740 | 3.2084 |
Tricosane | 0.000 | 0.000 | 0.000 | 0.000 | 11.252 | 3.3493 |
Tetracosane | 0.000 | 0.000 | 0.000 | 0.000 | 11.758 | 3.4902 |
Octacosane | 0.000 | 0.000 | 0.000 | 0.000 | 13.780 | 4.0538 |
2-Methylpentane | 0.000 | 0.000 | 0.000 | 0.000 | 2.503 | 0.9540 |
2,4-Dimethylpentane | 0.000 | 0.000 | 0.000 | 0.000 | 2.809 | 1.0949 |
2,5-Dimethyhexane | 0.000 | 0.000 | 0.000 | 0.000 | 3.308 | 1.2358 |
2,3,4-Trimethylpentane | 0.000 | 0.000 | 0.000 | 0.000 | 3.481 | 1.2358 |
Cyclohexane | 0.305 | 0.100 | 0.000 | 0.000 | 2.964 | 0.8454 |
Ethylcyclhexane | 0.263 | 0.100 | 0.000 | 0.000 | 3.877 | 1.1272 |
Propene | 0.103 | 0.080 | 0.000 | 0.070 | 0.946 | 0.4883 |
trans-But-2-ene | 0.126 | 0.080 | 0.000 | 0.050 | 1.664 | 0.6292 |
Pent-1-ene | 0.093 | 0.080 | 0.000 | 0.070 | 2.047 | 0.7701 |
2-Methylprop-1-ene | 0.120 | 0.080 | 0.000 | 0.080 | 1.579 | 0.6292 |
3-Methylbut-1-ene | 0.063 | 0.060 | 0.000 | 0.050 | 1.933 | 0.7701 |
Hept-1-ene | 0.092 | 0.080 | 0.000 | 0.070 | 3.063 | 1.0519 |
Buta-1,2-diene | 0.320 | 0.230 | 0.000 | 0.100 | 1.543 | 0.5862 |
2-Methylbuta-1,3-diene | 0.313 | 0.230 | 0.000 | 0.100 | 2.101 | 0.7271 |
Hepta-1,6-diene | 0.189 | 0.200 | 0.000 | 0.100 | 3.028 | 1.0089 |
Dichloromethane | 0.387 | 0.570 | 0.100 | 0.050 | 2.019 | 0.4943 |
Trichloromethane | 0.425 | 0.490 | 0.150 | 0.020 | 2.480 | 0.6167 |
Tetrachloromethane | 0.458 | 0.380 | 0.000 | 0.000 | 2.823 | 0.7391 |
1,2-Dichloroethane | 0.416 | 0.640 | 0.100 | 0.110 | 2.573 | 0.6352 |
1-Chloropropane | 0.216 | 0.400 | 0.000 | 0.100 | 2.202 | 0.6537 |
1-Chlorobutane | 0.210 | 0.400 | 0.000 | 0.100 | 2.722 | 0.7946 |
2-Chloro-2-methylpropane | 0.142 | 0.300 | 0.000 | 0.030 | 2.273 | 0.7946 |
Bromoethane | 0.366 | 0.400 | 0.000 | 0.120 | 2.120 | 0.5654 |
2-Bromo-2-methylpropane | 0.305 | 0.290 | 0.000 | 0.070 | 2.609 | 0.8472 |
Iodomethane | 0.676 | 0.430 | 0.000 | 0.120 | 2.106 | 0.5077 |
Iodoethane | 0.640 | 0.400 | 0.000 | 0.140 | 2.573 | 0.6486 |
1,1,2-Triflurotrichlroethane | 0.010 | 0.130 | 0.000 | 0.000 | 2.210 | 0.8107 |
1,2-Difluorotetrachlroethane | 0.227 | 0.330 | 0.000 | 0.020 | 3.034 | 0.9154 |
Tetrahydrofuran | 0.289 | 0.520 | 0.000 | 0.480 | 2.636 | 0.6223 |
1,4-Dioxane | 0.329 | 0.750 | 0.000 | 0.640 | 2.892 | 0.6810 |
2-Methylpropionaldehyde | 0.144 | 0.620 | 0.000 | 0.450 | 2.120 | 0.6879 |
Propanone | 0.179 | 0.700 | 0.040 | 0.490 | 1.696 | 0.5470 |
Butanone | 0.166 | 0.700 | 0.000 | 0.510 | 2.287 | 0.6879 |
Ethyl acetate | 0.106 | 0.620 | 0.000 | 0.450 | 2.314 | 0.7466 |
Butyl acetate | 0.071 | 0.600 | 0.000 | 0.450 | 3.353 | 1.0284 |
Acetonitrile | 0.237 | 0.900 | 0.070 | 0.320 | 1.739 | 0.4042 |
Propionitrile | 0.162 | 0.900 | 0.020 | 0.360 | 2.082 | 0.5450 |
Diethylamine | 0.154 | 0.300 | 0.080 | 0.690 | 2.395 | 0.7220 |
Triethylamine | 0.101 | 0.150 | 0.000 | 0.790 | 3.040 | 1.0538 |
Nitromethane | 0.313 | 0.950 | 0.060 | 0.310 | 1.892 | 0.4237 |
N,N-Dimethylformaide | 0.367 | 1.310 | 0.000 | 0.740 | 3.173 | 0.6468 |
Methanol | 0.278 | 0.440 | 0.430 | 0.470 | 0.970 | 0.3082 |
Ethanol | 0.246 | 0.420 | 0.370 | 0.480 | 1.485 | 0.4491 |
1-Propanol | 0.236 | 0.420 | 0.370 | 0.480 | 2.031 | 0.5900 |
1-Pentanol | 0.219 | 0.420 | 0.370 | 0.480 | 3.106 | 0.8718 |
1-Hexanol | 0.210 | 0.420 | 0.370 | 0.480 | 3.610 | 1.0127 |
2-Propanol | 0.212 | 0.360 | 0.330 | 0.560 | 1.764 | 0.5900 |
2-Butanol | 0.217 | 0.360 | 0.330 | 0.560 | 2.338 | 0.7309 |
2-Methyl-1-propanol | 0.217 | 0.390 | 0.370 | 0.480 | 2.413 | 0.7309 |
3-Methyl-1-butanol | 0.192 | 0.390 | 0.370 | 0.480 | 3.011 | 0.8718 |
Cyclohexanol | 0.460 | 0.540 | 0.320 | 0.570 | 3.758 | 0.9040 |
1,3-Dichloro-2-propanol | 0.546 | 0.930 | 0.420 | 0.540 | 3.650 | 0.8348 |
Dimethyl sulfoxide | 0.522 | 1.720 | 0.000 | 0.970 | 3.401 | 0.6126 |
Carbon disulfide | 0.876 | 0.260 | 0.000 | 0.030 | 2.370 | 0.4905 |
Tetramethyltin | 0.324 | 0.110 | 0.000 | 0.100 | 2.651 | 1.0431 |
Benzene | 0.610 | 0.520 | 0.000 | 0.140 | 2.786 | 0.7164 |
Toluene | 0.601 | 0.520 | 0.000 | 0.140 | 3.325 | 0.8573 |
o-Xylene | 0.663 | 0.560 | 0.000 | 0.160 | 3.939 | 0.9982 |
m-Xylene | 0.623 | 0.520 | 0.000 | 0.160 | 3.839 | 0.9982 |
p-Xylene | 0.613 | 0.520 | 0.000 | 0.160 | 3.839 | 0.9982 |
trans-Stilbene | 1.350 | 1.210 | 0.000 | 0.230 | 7.456 | 1.5630 |
Acenaphthene | 1.604 | 1.050 | 0.000 | 0.220 | 6.469 | 1.2586 |
Anthracene | 2.290 | 1.340 | 0.000 | 0.280 | 7.568 | 1.4544 |
Phenanthrene | 2.055 | 1.290 | 0.000 | 0.290 | 7.632 | 1.4544 |
Fluoranthene | 2.377 | 1.550 | 0.000 | 0.240 | 8.827 | 1.5846 |
Pyrene | 2.808 | 1.710 | 0.000 | 0.280 | 8.833 | 1.5846 |
Chlorobenzene | 0.718 | 0.650 | 0.000 | 0.070 | 3.657 | 0.8388 |
Aniline | 0.955 | 0.960 | 0.260 | 0.410 | 3.934 | 0.8162 |
Benzoic acid | 0.730 | 0.900 | 0.590 | 0.400 | 4.657 | 0.9317 |
2-Hydroxybenzoic acid | 0.900 | 0.850 | 0.730 | 0.370 | 4.732 | 0.9904 |
4-Hydroxybenzoic acid | 0.930 | 0.900 | 0.810 | 0.560 | 4.867 | 0.9904 |
Methyl 4-hydroxybenzoate | 0.900 | 1.370 | 0.690 | 0.450 | 5.665 | 1.1313 |
2-Methylpyridine | 0.598 | 0.750 | 0.000 | 0.580 | 3.422 | 0.8162 |
2-Furaldehyde | 0.690 | 1.130 | 0.000 | 0.450 | 3.318 | 0.6929 |
Phenylacetic acid | 0.730 | 1.080 | 0.660 | 0.570 | 4.962 | 1.0726 |
4-Hydroxyphenylacetic acid | 1.030 | 1.450 | 0.940 | 0.740 | 5.902 | 1.1313 |
4-Ethoxyacetanilide | 0.940 | 1.480 | 0.480 | 0.860 | 6.893 | 1.4542 |
Betulin | 1.790 | 2.120 | 0.700 | 1.140 | 17.470 | 3.8670 |
3-Nitrophthalic acid | 1.360 | 2.010 | 1.200 | 0.890 | 7.780 | 1.3212 |
Acetylsalicylic acid | 0.781 | 1.690 | 0.710 | 0.670 | 6.279 | 1.2879 |
3-Chlorobenzoic acid | 0.840 | 0.950 | 0.630 | 0.320 | 5.197 | 1.0541 |
4-Chlorobenzoic acid | 0.840 | 1.020 | 0.630 | 0.270 | 4.947 | 1.0541 |
3-Nitrobenzoic acid | 0.990 | 1.180 | 0.730 | 0.520 | 5.601 | 1.1059 |
4-Nitrobenzoic acid | 0.990 | 1.520 | 0.680 | 0.400 | 5.770 | 1.1059 |
3,5-Dinitrobenzoic acid | 1.250 | 1.630 | 0.700 | 0.590 | 6.984 | 1.2801 |
4-Chloro-3-nitrobenzoic acid | 1.250 | 1.470 | 0.700 | 0.440 | 6.685 | 1.2283 |
2-Chloro-5-nitrobenzoic acid | 1.250 | 1.400 | 0.670 | 0.460 | 6.513 | 1.2283 |
2-Methoxybenzoic acid | 0.899 | 1.410 | 0.450 | 0.620 | 5.636 | 1.1313 |
4-Methoxybenzoic acid | 0.899 | 1.250 | 0.620 | 0.520 | 5.741 | 1.1313 |
2-Methylbenzoic acid | 0.730 | 0.840 | 0.420 | 0.440 | 4.677 | 1.0726 |
3-Methylbenzoic acid | 0.730 | 0.890 | 0.600 | 0.400 | 4.819 | 1.0726 |
Ketoprofen | 1.650 | 2.260 | 0.550 | 0.890 | 10.527 | 1.9779 |
Naproxen | 1.510 | 2.020 | 0.600 | 0.670 | 9.207 | 1.7821 |
Haloperidol | 1.900 | 1.390 | 0.400 | 1.760 | 12.819 | 2.7980 |
Paracetamol | 1.060 | 1.630 | 1.040 | 0.860 | 6.430 | 1.1724 |
4-Nitrobenzyl chloride | 1.080 | 1.350 | 0.000 | 0.350 | 5.806 | 1.1539 |
Salicylamide | 1.160 | 1.580 | 0.610 | 0.510 | 5.818 | 1.0315 |
Benzil | 1.445 | 1.590 | 0.000 | 0.620 | 7.611 | 1.6374 |
1-Chloroanthraquinone | 1.900 | 1.790 | 0.000 | 0.570 | 9.171 | 1.6512 |
Monuron | 1.140 | 1.500 | 0.470 | 0.780 | 7.180 | 1.4768 |
Diuron | 1.280 | 1.600 | 0.570 | 0.700 | 8.060 | 1.5992 |
Ferrocene | 1.350 | 0.850 | 0.000 | 0.200 | 5.622 | 1.1209 |
Diphenyl sulfone | 1.570 | 2.150 | 0.000 | 0.700 | 8.902 | 1.6051 |
Hexachlorobenzene | 1.490 | 0.990 | 0.000 | 0.000 | 7.390 | 1.4508 |
Hydroquinone | 1.063 | 1.270 | 1.060 | 0.570 | 4.827 | 0.8338 |
1,3-Dicyanobenzene | 0.890 | 1.639 | 0.000 | 0.561 | 5.372 | 1.0258 |
1,4-Dicyanobenzene | 0.870 | 1.602 | 0.000 | 0.470 | 5.330 | 1.0258 |
Benzenesulfonamide | 1.130 | 2.137 | 0.651 | 0.647 | 6.524 | 1.0971 |
2-Chlorobenzenesulfonamide | 1.220 | 2.310 | 0.660 | 0.623 | 7.291 | 1.2195 |
o-Toluenesulfonamide | 1.130 | 2.157 | 0.692 | 0.595 | 7.076 | 1.2380 |
p-Toluenesulfonamide | 1.130 | 2.203 | 0.680 | 0.679 | 7.108 | 1.2380 |
Methyl 2-Sulfamoylbenzoate | 1.170 | 2.813 | 0.664 | 0.928 | 8.476 | 1.4533 |
2-Chlorothioxanthone | 2.226 | 1.394 | 0.000 | 0.556 | 9.319 | 1.6581 |
2-Mercapto-1,3,4-thiadizole | 1.166 | 1.066 | 0.365 | 0.457 | 4.285 | 0.7224 |
Dapsone | 2.210 | 3.370 | 0.800 | 1.080 | 11.716 | 1.8047 |
Salicylanilide | 1.868 | 2.161 | 0.895 | 0.361 | 8.915 | 1.4436 |
Dimethyl terephthalate | 0.788 | 1.426 | 0.000 | 0.567 | 6.519 | 1.4288 |
5,6-Dimethoxy-1-indanone | 1.037 | 1.211 | 0.000 | 0.785 | 6.703 | 1.4454 |
Pyrazinamide | 1.030 | 1.458 | 0.331 | 0.856 | 4.976 | 0.8106 |
3-Methyl-4-nitrophenol | 1.070 | 1.300 | 0.740 | 0.320 | 5.731 | 1.0902 |
2-Ethoxybenzamide | 0.910 | 1.406 | 0.377 | 0.952 | 6.297 | 1.3133 |
Chlorpropanamide | 1.224 | 2.234 | 0.734 | 0.988 | 9.712 | 1.8986 |
Thioxanthen-9-one | 1.940 | 1.441 | 0.000 | 0.557 | 8.436 | 1.5357 |
2-Iodoaniline | 1.530 | 1.096 | 0.130 | 0.426 | 5.818 | 1.0744 |
4-Iodoaniline | 1.530 | 1.342 | 0.225 | 0.400 | 6.031 | 1.0744 |
Nicotinamide | 1.010 | 1.277 | 0.621 | 0.958 | 5.067 | 0.9317 |
2-Phenylindole | 1.990 | 1.880 | 0.420 | 0.360 | 9.051 | 1.5542 |
Syringic acid | 1.070 | 1.790 | 0.820 | 0.900 | 7.269 | 1.3896 |
Kojic acid | 1.130 | 1.589 | 0.706 | 0.939 | 5.594 | 0.9512 |
Pyrimethamine | 2.230 | 1.863 | 0.392 | 1.101 | 10.508 | 1.8458 |
2-Bromodibenzofuran | 2.340 | 1.778 | 0.000 | 0.612 | 10.781 | 1.9218 |
p-Coumaric acid | 1.330 | 1.453 | 0.841 | 0.674 | 6.795 | 1.2292 |
2,4-Dinitroaniline | 1.430 | 2.197 | 0.554 | 0.310 | 7.259 | 1.1646 |
Terephthaldehyde | 1.030 | 1.235 | 0.000 | 0.566 | 5.235 | 1.0296 |
2-Methoxy-4-nitroaniline | 1.220 | 1.680 | 0.170 | 0.460 | 6.474 | 1.1900 |
2-Chloro-5-nitroaniline | 1.290 | 1.564 | 0.268 | 0.358 | 6.238 | 1.1128 |
1-Methyl-4-(methylsulfonyl)benzene | 0.792 | 1.573 | 0.000 | 0.788 | 6.034 | 1.2791 |
1,3-Diphenylguanidine | 1.540 | 1.974 | 0.585 | 0.767 | 9.216 | 1.7215 |
Tinidazole | 1.400 | 2.768 | 0.000 | 1.348 | 9.402 | 1.6959 |
Sorafenib | 2.460 | 2.913 | 0.574 | 1.494 | 15.998 | 3.0195 |
3,4-Dichlorobenzoic acid | 0.950 | 0.920 | 0.670 | 0.260 | 5.623 | 1.1766 |
3,4-Dimethoxybenzoic acid | 0.950 | 1.646 | 0.570 | 0.755 | 6.746 | 1.3309 |
3,4,5-Trimethoxybenzoic acid | 1.001 | 1.760 | 0.603 | 0.850 | 7.711 | 1.5309 |
4-tert-Butylbenzoic acid | 0.730 | 1.111 | 0.551 | 0.443 | 6.547 | 1.4953 |
Vanillin | 0.990 | 1.336 | 0.321 | 0.662 | 5.703 | 1.1313 |
Isovanillin | 1.040 | 1.477 | 0.308 | 0.681 | 5.868 | 1.1313 |
2-Ethylanthraquinone | 1.410 | 1.545 | 0.000 | 0.557 | 8.781 | 1.8106 |
Benzoin | 1.587 | 2.115 | 0.196 | 0.847 | 9.159 | 1.6804 |
Hippuric acid | 1.170 | 1.839 | 1.207 | 0.918 | 7.375 | 1.3290 |
2-Methyl-3-nitrobenzoic acid | 1.040 | 1.396 | 0.541 | 0.532 | 6.332 | 1.2468 |
3-Methyl-4-nitrobenzoic acid | 1.040 | 1.336 | 0.525 | 0.500 | 6.266 | 1.2468 |
4-Methyl-3-nitrobenzoic acid | 1.040 | 1.461 | 0.659 | 0.521 | 6.434 | 1.2468 |
Sorbic acid | 0.480 | 0.904 | 0.528 | 0.432 | 4.047 | 0.9424 |
Maltol | 0.888 | 1.152 | 0.212 | 0.763 | 4.510 | 0.8925 |
o-Acetoacetanisidide | 1.190 | 2.333 | 0.264 | 1.025 | 8.563 | 1.6108 |
Isophthalic acid | 1.100 | 1.210 | 0.960 | 0.590 | 5.988 | 1.1470 |
Vanillyl alcohol | 1.053 | 1.817 | 0.755 | 0.890 | 6.464 | 1.1743 |
Ethyl vanillin | 1.040 | 1.587 | 0.411 | 0.664 | 6.544 | 1.2722 |
Vanillic acid | 1.144 | 1.476 | 0.826 | 0.639 | 6.407 | 1.1900 |
3,4-Dichloro-1-nitrobenzene | 1.100 | 1.333 | 0.000 | 0.141 | 5.782 | 1.1354 |
2,3-Dichloro-1-nitrobenzene | 1.100 | 1.563 | 0.000 | 0.098 | 6.001 | 1.1354 |
3,5-Dinitro-2-methylbenzoic acid | 1.310 | 2.120 | 0.750 | 0.650 | 8.040 | 1.4210 |
Xanthone | 1.640 | 1.173 | 0.000 | 0.563 | 7.466 | 1.4309 |
Lovastatin | 1.230 | 2.730 | 0.310 | 1.760 | 15.459 | 3.2853 |
Simvastatin | 1.350 | 2.550 | 0.320 | 1.860 | 15.551 | 3.4268 |
2-Bromo-9-fluorenone | 1.840 | 1.425 | 0.000 | 0.399 | 8.415 | 1.5472 |
Benorilate | 1.897 | 2.916 | 0.484 | 1.364 | 12.564 | 2.2930 |
Probenecid | 1.206 | 1.951 | 0.701 | 1.080 | 10.369 | 2.1578 |
3-Methylflavone-8-carboxylic acid | 2.050 | 1.929 | 0.485 | 1.034 | 10.969 | 2.0259 |
Metamitron | 1.650 | 2.248 | 0.395 | 1.032 | 6.777 | 1.5003 |
Solute | Log K a | Log P b | Ref. |
---|---|---|---|
Radon | 0.810 | 1.460 | [19] |
Hydrogen | −1.070 | 0.650 | [19] |
Oxygen | −0.660 | 0.850 | [19] |
Nitrogen | −0.760 | 1.040 | [19] |
Carbon monoxide | −0.600 | 1.020 | [19] |
Sulfur dioxide | 2.360 | 0.830 | [19] |
Ethane | 0.490 | 1.830 | [19] |
2-Methylpropane | 1.580 | 3.280 | [19] |
Pentane | 2.090 | 3.790 | [19] |
Hexane | 2.540 | 4.360 | [19] |
Heptane | 2.980 | 4.940 | [19] |
Octane | 3.450 | 5.560 | [19] |
Nonane | 3.910 | 6.060 | [19] |
2-Methylpentane | 2.410 | 4.250 | [19] |
2,4-Dimethylpentane | 2.700 | 4.780 | [19] |
2,5-Dimethyhexane | 3.160 | 5.180 | [19] |
2,3,4-Trimethylpentane | 3.230 | 5.110 | [19] |
Cyclohexane | 2.760 | 3.660 | [19] |
Ethylcyclhexane | 3.540 | 5.120 | [19] |
Propene | 1.110 | 2.080 | [19] |
trans-But-2-ene | 2.030 | 3.140 | [19] |
Pent-1-ene | 2.170 | 3.400 | [19] |
2-Methylprop-1-ene | 1.870 | 2.730 | [19] |
3-Methylbut-1-ene | 2.010 | 3.350 | [19] |
Hept-1-ene | 2.980 | 4.300 | [19] |
Buta-1,2-diene | 2.080 | 2.530 | [19] |
2-Methylbuta-1,3-diene | 2.410 | 2.910 | [19] |
Hepta-1,6-diene | 3.370 | 4.220 | [19] |
Dichloromethane | 2.960 | 2.000 | [19] |
Trichloromethane | 3.380 | 2.590 | [19] |
Tetrachloromethane | 3.100 | 3.290 | [19] |
1,2-Dichloroethane | 3.460 | 2.190 | [19] |
1-Chloropropane | 2.700 | 2.460 | [19] |
1-Chlorobutane | 3.160 | 3.040 | [19] |
2-Chloro-2-methylpropane | 2.610 | 3.410 | [19] |
Bromoethane | 2.590 | 2.050 | [19] |
2-Bromo-2-methylpropane | 2.970 | 3.570 | [19] |
Iodomethane | 2.540 | 1.890 | [19] |
Iodoethane | 2.960 | 2.420 | [19] |
1,1,2-Triflurotrichlroethane | 2.490 | 3.790 | [19] |
1,2-Difluorotetrachlroethane | 3.390 | 4.030 | [19] |
Tetrahydrofuran | 3.010 | 0.460 | [19] |
1,4-Dioxane | 3.670 | −0.040 | [19] |
2-Methylpropionaldehyde | 2.970 | 0.870 | [19] |
Propanone | 2.860 | 0.030 | [19] |
Butanone | 3.260 | 0.540 | [19] |
Ethyl acetate | 3.300 | 1.140 | [19] |
Acetonitrile | 3.070 | 0.220 | [19] |
Propionitrile | 3.430 | 0.610 | [19] |
Diethylamine | 2.750 | −0.240 | [19] |
Triethylamine | 3.130 | 0.770 | [19] |
Nitromethane | 3.610 | 0.660 | [19] |
N,N-Dimethylformaide | 4.470 | −1.260 | [19] |
Methanol | 2.700 | −1.040 | [19] |
Ethanol | 3.020 | −0.650 | [19] |
2-Propanol | 3.030 | −0.450 | [19] |
Dimethyl sulfoxide | 4.880 | −2.980 | [19] |
Carbon disulfide | 2.290 | 2.440 | [19] |
Tetramethyltin | 2.640 | 4.170 | [19] |
Benzene | 3.240 | 2.610 | [19] |
Toluene | 3.690 | 3.040 | [19] |
trans-Stilbene | 8.240 | 5.720 | [85] |
Acenaphthene | 6.920 | 4.560 | [19] |
Anthracene | 8.150 | 5.120 | [19] |
Phenanthrene | 8.120 | 5.320 | [19] |
Fluoranthene | 9.280 | 5.840 | [19] |
Pyrene | 9.280 | 5.780 | [19] |
Chlorobenzene | 4.150 | 3.330 | [19] |
Aniline | 5.490 | 1.190 | [19] |
Benzoic acid | 6.910 | 1.790 | [19] |
2-Hydroxybenzoic acid | 7.410 | 2.020 | [19] |
4-Hydroxybenzoic acid | 8.110 | 1.330 | [19] |
Methyl 4-hydroxybenzoate | 8.750 | 1.900 | [19] |
2-Methylpyridine | 4.160 | 0.760 | [19] |
2-Furaldehyde | 4.620 | 0.790 | [19] |
Phenylacetic acid | 8.140 | 1.670 | [19] |
4-Hydroxyphenylacetic acid | 9.950 | 0.440 | [19] |
4-Ethoxyacetanilide | 9.420 | 1.420 | [19] |
Betulin | 20.410 | 10.020 | [19] |
3-Nitrophthalic acid | 12.680 | 0.010 | [19] |
Acetylsalicylic acid | 9.900 | 1.330 | [19] |
3-Chlorobenzoic acid | 7.610 | 2.460 | [19] |
4-Chlorobenzoic acid | 7.410 | 2.610 | [19] |
3-Nitrobenzoic acid | 8.750 | 1.820 | [19] |
4-Nitrobenzoic acid | 8.980 | 2.080 | [19] |
3,5-Dinitrobenzoic acid | 10.410 | 2.110 | [19] |
4-Chloro-3-nitrobenzoic acid | 9.760 | 2.550 | [19] |
2-Chloro-5-nitrobenzoic acid | 9.410 | 2.460 | [19] |
2-Methoxybenzoic acid | 8.180 | 1.370 | [19] |
4-Methoxybenzoic acid | 8.620 | 1.920 | [19] |
2-Methylbenzoic acid | 6.530 | 2.230 | [19] |
3-Methylbenzoic acid | 7.260 | 2.280 | [19] |
Ketoprofen | 13.760 | 3.300 | [19] |
Naproxen | 12.500 | 3.700 | [19] |
Salicylamide | 9.230 | 1.630 | [19] |
Benzil | 9.040 | 4.170 | [19] |
1-Chloroanthraquinone | 10.410 | 4.380 | [19] |
Monuron | 9.580 | 1.950 | [19] |
Diuron | 10.700 | 2.700 | [19] |
Ferrocene | 6.020 | 4.100 | [19] |
Diphenyl sulfone | 10.670 | 3.280 | [19] |
Hexachlorobenzene | 7.510 | 6.100 | [19] |
Docosane | 10.010 | 13.580 | [19] |
Tricosane | 10.540 | 14.260 | [19] |
Hydroquinone | 9.050 | 0.180 | [19] |
1,3-Dicyanobenzene | 7.209 | 1.670 | [39] |
1,4-Dicyanobenzene | 7.062 | 2.055 | [34] |
Benzenesulfonamide | 10.581 | 0.811 | [78] |
2-Chlorobenzenesulfonamide | 11.478 | 1.368 | [33] |
o-Toluenesulfonamide | 11.189 | 1.574 | [28] |
p-Toluenesulfonamide | 11.252 | 1.163 | [74] |
Methyl 2-Sulfamoylbenzoate | 13.433 | 0.757 | [77] |
2-Chlorothioxanthone | 9.878 | 4.789 | [35] |
2-Mercapto-1,3,4-thiadizole | 6.127 | 0.780 | [37] |
Dapsone | 16.998 | 1.408 | [68] |
Salicylanilide | 13.001 | 3.502 | [31] |
Dimethyl terephthalate | 8.015 | 3.373 | [29] |
5,6-Dimethoxy-1-indanone | 7.722 | 2.487 | [48] |
Pyrazinamide | 7.348 | −0.569 | [65] |
3-Methyl-4-nitrophenol | 8.881 | 2.550 | [81] |
2-Ethoxybenzamide | 8.405 | 0.409 | [82] |
Chlorpropanamide | 13.734 | 2.351 | [30] |
Thioxanthen-9-one | 9.155 | 4.087 | [58] |
2-Iodoaniline | 6.792 | 2.623 | [46] |
4-Iodoaniline | 7.513 | 2.498 | [46] |
Nicotinamide | 7.874 | −1.148 | [22] |
2-Phenylindole | 11.533 | 4.638 | [44] |
Syringic acid | 11.199 | 0.700 | [80] |
Kojic acid | 8.951 | −1.167 | [64] |
Pyrimethamine | 12.767 | 2.501 | [47] |
2-Bromodibenzofuran | 11.704 | 5.505 | [50] |
p-Coumaric acid | 10.061 | 1.187 | [21] |
2,4-Dinitroaniline | 10.930 | 2.868 | [51] |
Terephthaldehyde | 6.294 | 1.703 | [52] |
2-Methoxy-4-nitroaniline | 8.569 | 2.742 | [25] |
2-Chloro-5-nitroaniline | 8.427 | 2.912 | [20] |
1-Methyl-4-(methylsulfonyl)benzene | 7.731 | 1.549 | [79] |
1,3-Diphenylguanidine | 12.388 | 2.986 | [45] |
Tinidazole | 12.262 | 0.329 | [38] |
Sorafenib | 19.501 | 4.760 | [36] |
3,4-Dichlorobenzoic acid | 7.939 | 3.199 | [40] |
3,4-Dimethoxybenzoic acid | 9.680 | 1.410 | [41] |
3,4,5-Trimethoxybenzoic acid | 11.012 | 1.757 | [42] |
4-tert-Butylbenzoic acid | 8.951 | 3.726 | [53] |
Vanillin | 7.739 | 1.311 | [65] |
Isovanillin | 7.995 | 1.157 | [86] |
2-Ethylanthraquinone | 9.925 | 5.111 | [24] |
Benzoin | 11.512 | 2.781 | [57] |
Hippuric acid | 12.276 | 0.001 | [49] |
2-Methyl-3-nitrobenzoic acid | 8.951 | 2.214 | [54] |
3-Methyl-4-nitrobenzoic acid | 8.743 | 2.379 | [55] |
4-Methyl-3-nitrobenzoic acid | 9.485 | 2.173 | [56] |
Sorbic acid | 6.340 | 1.429 | [60] |
Maltol | 6.129 | −0.045 | [75] |
o-Acetoacetanisidide | 11.661 | 1.427 | [63] |
Isophthalic acid | 9.193 | 0.933 | [69] |
Vanillyl alcohol | 10.308 | −0.114 | [73] |
Ethyl vanillin | 9.075 | 1.734 | [72] |
Vanillic acid | 9.983 | 1.317 | [70] |
3,4-Dichloro-1-nitrobenzene | 6.712 | 4.006 | [61] |
2,3-Dichloro-1-nitrobenzene | 7.280 | 4.187 | [61] |
3,5-Dinitro-2-methylbenzoic acid | 12.058 | 2.102 | [59] |
Xanthone | 8.034 | 3.624 | [43] |
Lovastatin | 18.336 | 4.424 | [23] |
Simvastatin | 18.400 | 4.749 | [88] |
2-Bromo-9-fluorenone | 9.139 | 4.841 | [67] |
Benorilate | 16.329 | 2.278 | [32] |
Probenecid | 13.750 | 2.976 | [76] |
3-Methylflavone-8-carboxylic acid | 13.426 | 3.198 | [84] |
Metamitron | 11.823 | 0.916 | [87] |
Solute | Log K a | Log P b | Ref. |
---|---|---|---|
Hydrogen | −1.100 | 0.620 | [19] |
Nitrogen | −0.800 | 1.000 | [19] |
Nitrous oxide | 0.720 | 0.950 | [19] |
Carbon monoxide | −0.640 | 0.980 | [19] |
Pentane | 2.150 | 3.850 | [19] |
Hexane | 2.630 | 4.450 | [19] |
Heptane | 3.100 | 5.060 | [19] |
Octane | 3.560 | 5.670 | [19] |
Nonane | 4.020 | 6.170 | [19] |
2-Methylpentane | 2.490 | 4.330 | [19] |
2,4-Dimethylpentane | 2.790 | 4.870 | [19] |
2,5-Dimethylhexane | 3.270 | 5.290 | [19] |
2,3,4-Trimethylpentane | 3.340 | 5.220 | [19] |
Cyclohexane | 2.870 | 3.770 | [19] |
Ethylcyclohexane | 3.660 | 5.240 | [19] |
1-Heptene | 3.140 | 4.360 | [19] |
1,6-Heptadiene | 3.240 | 4.090 | [19] |
Carbon tetrachloride | 3.120 | 3.310 | [19] |
Butyl acetate | 4.090 | 2.150 | [19] |
2-Butanol | 3.590 | 0.200 | [19] |
2-Methyl-1-propanol | 3.550 | 0.250 | [19] |
1-Propanol | 3.410 | 0.150 | [19] |
1-Pentanol | 4.600 | 1.250 | [19] |
3-Methyl-1-butanol | 4.240 | 1.000 | [19] |
1-Hexanol | 5.010 | 1.780 | [19] |
Cyclohexanol | 5.180 | 1.170 | [19] |
1,3-Dichloro-2-propanol | 5.560 | 0.380 | [19] |
Benzene | 2.840 | 2.210 | [19] |
Toluene | 4.030 | 3.380 | [19] |
o-Xylene | 4.560 | 3.820 | [19] |
m-Xylene | 4.440 | 3.830 | [19] |
p-Xylene | 4.470 | 3.880 | [19] |
Octadecane | 8.750 | 11.790 | [19] |
Nonadecane | 9.280 | 12.490 | [19] |
Eicosane | 9.470 | 12.780 | [19] |
Docosane | 10.360 | 13.930 | [19] |
Tricosane | 10.930 | 14.650 | [19] |
Tetracosane | 11.260 | 15.100 | [19] |
Octacosane | 13.090 | 17.430 | [19] |
Anthracene | 8.160 | 5.130 | [19] |
Pyrene | 9.290 | 5.790 | [19] |
Fluoranthene | 9.270 | 5.830 | [19] |
Acenaphthene | 6.910 | 4.550 | [19] |
Phenanthrene | 8.090 | 5.290 | [19] |
Methyl 4-hydroxybenzoate | 8.680 | 1.840 | [19] |
Benzoic acid | 6.810 | 1.710 | [19] |
2-Hydroxybenzoic acid | 7.340 | 1.950 | [19] |
4-Hydroxybenzoic acid | 7.890 | 1.110 | [19] |
trans-Stilbene | 8.210 | 5.690 | [85] |
Diuron | 10.610 | 2.610 | [19] |
Monouron | 9.390 | 1.760 | [19] |
Hexachlorobenzene | 7.620 | 6.120 | [19] |
Diphenyl sulfone | 10.440 | 3.050 | [19] |
4-Nitrobenzyl chloride | 7.090 | 3.320 | [19] |
Paracetamol | 10.380 | −0.520 | [19] |
Ferrocene | 6.010 | 4.243 | [27] |
3-Chlorobenzoic acid | 7.500 | 2.350 | [19] |
4-Chlorobenzoic acid | 7.210 | 2.410 | [19] |
3,4-Dichlorobenzoic acid | 7.911 | 3.171 | [40] |
3-Nitrobenzoic acid | 8.530 | 1.600 | [19] |
4-Nitrobenzoic acid | 8.760 | 1.860 | [19] |
3,5-Dinitrobenzoic acid | 10.180 | 1.880 | [19] |
3,5-Dinitro-2-methylbenzoic acid | 11.853 | 1.897 | [59] |
2-Methylbenzoic acid | 6.420 | 2.120 | [19] |
3-Methylbenzoic acid | 7.100 | 2.120 | [19] |
3-Methyl-4-nitrobenoic acid | 8.635 | 2.271 | [55] |
Naproxen | 12.200 | 3.400 | [19] |
Acetylsalicylic acid | 9.580 | 1.080 | [19] |
2-Methoxybenzoic acid | 7.880 | 1.080 | [19] |
4-Methoxybenzoic acid | 8.410 | 1.710 | [19] |
3,4-Dimethoxybenzoic acid | 9.462 | 1.192 | [41] |
3,4,5-Trimethoxybenzoic acid | 10.757 | 1.501 | [42] |
Benzil | 8.930 | 4.060 | [19] |
4-Nitroaniline | 9.290 | 2.100 | [19] |
Haloperidol | 14.320 | 3.020 | [19] |
Hydroquinone | 8.960 | 0.140 | [19] |
1-Chloroanthraquinone | 10.290 | 4.260 | [19] |
Salicylamide | 9.010 | 1.410 | [19] |
4-Chloro-3-nitrobenzoic acid | 9.390 | 2.360 | [20] |
2-Chloro-5-nitrobenzoic acid | 9.130 | 2.180 | [20] |
Lovastatin | 18.279 | 4.267 | [23] |
2-Ethylanthraquinone | 9.865 | 5.042 | [24] |
Simvastatin | 18.677 | 4.678 | [88] |
Thioxanthen-9-one | 9.335 | 4.051 | [58] |
Benzoin | 11.305 | 2.574 | [57] |
Maltol | 6.033 | −0.156 | [75] |
Nicotinamide | 7.727 | −1.295 | [26] |
2-Methyl-3-nitrobenzoic acid | 8.847 | 2.110 | [54] |
4-tert-Butylbenzoic acid | 8.825 | 3.600 | [53] |
o-Acetoacetanisidide | 11.407 | 1.173 | [63] |
Xanthone | 7.940 | 3.530 | [43] |
Vanillyl alcohol | 9.948 | −0.474 | [73] |
Hippuric acid | 12.082 | −0.193 | [49] |
2-Ethoxybenzamide | 8.310 | 0.314 | [83] |
Chlorpropanamide | 13.479 | 2.096 | [30] |
4-Methyl-3-nitrobenzoic acid | 9.342 | 2.063 | [56] |
Dapsone | 16.416 | 0.826 | [68] |
Salicylanilide | 12.785 | 3.286 | [31] |
Dimethyl terephthalate | 7.867 | 3.225 | [29] |
5,6-Dimethoxy-1-indanone | 7.398 | 2.163 | [48] |
Pyrazinamide | 7.108 | −0.809 | [65] |
3-Methyl-4-nitrophenol | 8.746 | 2.415 | [81] |
Tinidazole | 11.922 | −0.011 | [38] |
2-Bromo-9-fluorenone | 9.134 | 4.836 | [67] |
Benorilate | 15.974 | 1.925 | [32] |
Probenecid | 13.554 | 2.780 | [76] |
3-Methylflavone-8-carboxylic acid | 13.151 | 2.923 | [84] |
Metamitron | 11.593 | 0.686 | [87] |
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Longacre, L.; Wu, E.; Yang, C.; Zhang, M.; Sinha, S.; Varadharajan, A.; Acree, W.E., Jr. Development of Abraham Model Correlations for Solute Transfer into the tert-Butyl Acetate Mono-Solvent and Updated Equations for Both Ethyl Acetate and Butyl Acetate. Liquids 2022, 2, 258-288. https://doi.org/10.3390/liquids2040016
Longacre L, Wu E, Yang C, Zhang M, Sinha S, Varadharajan A, Acree WE Jr. Development of Abraham Model Correlations for Solute Transfer into the tert-Butyl Acetate Mono-Solvent and Updated Equations for Both Ethyl Acetate and Butyl Acetate. Liquids. 2022; 2(4):258-288. https://doi.org/10.3390/liquids2040016
Chicago/Turabian StyleLongacre, Laine, Emily Wu, Chelsea Yang, Miles Zhang, Sneha Sinha, Advika Varadharajan, and William E. Acree, Jr. 2022. "Development of Abraham Model Correlations for Solute Transfer into the tert-Butyl Acetate Mono-Solvent and Updated Equations for Both Ethyl Acetate and Butyl Acetate" Liquids 2, no. 4: 258-288. https://doi.org/10.3390/liquids2040016