Measurement and Correlation of the Solubility of Florfenicol in Four Binary Solvent Mixtures from T = (278.15 to 318.15) K
Abstract
:1. Introduction
2. Materials and Methods
2.1. Materials
2.2. Characterization of Florfenicol
2.3. Solubility Measurement
3. Theoretical Basis
3.1. Modified Apelblat Model
3.2. CNIBS/R-K Model
3.3. The Jouyban–Acree Model
3.4. NRTL Model
4. Results and Discussion
4.1. Solid-State Characterization
4.2. Solubility Data
4.3. Data Correlation
5. Conclusions
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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ωA | 102‧xFexp | 102‧xFcal,Apel | 102‧xFcal,RK | 102‧xFcal,JA | 102‧xFcal,NRTL |
---|---|---|---|---|---|
T = 278.15 K | |||||
0.0 | 0.0019 | 0.0019 | 0.0020 | 0.0011 | 0.0012 |
0.1 | 0.0033 | 0.0038 | 0.0034 | 0.0038 | 0.0023 |
0.2 | 0.0059 | 0.0069 | 0.0060 | 0.0066 | 0.0048 |
0.3 | 0.0114 | 0.0132 | 0.0112 | 0.0118 | 0.0102 |
0.4 | 0.0211 | 0.0248 | 0.0211 | 0.0220 | 0.0207 |
0.5 | 0.0399 | 0.0445 | 0.0400 | 0.0410 | 0.0403 |
0.6 | 0.0738 | 0.0764 | 0.0738 | 0.0751 | 0.0742 |
0.7 | 0.1294 | 0.1253 | 0.1294 | 0.1309 | 0.1281 |
0.8 | 0.2096 | 0.1968 | 0.2096 | 0.2120 | 0.2056 |
0.9 | 0.3151 | 0.3010 | 0.3151 | 0.3213 | 0.3049 |
1.0 | 0.4815 | 0.4654 | 0.4815 | 0.5052 | 0.4176 |
T = 283.15 K | |||||
0.0 | 0.0022 | 0.0023 | 0.0021 | 0.0018 | 0.0018 |
0.1 | 0.0041 | 0.0041 | 0.0040 | 0.0032 | 0.0032 |
0.2 | 0.0075 | 0.0074 | 0.0077 | 0.0060 | 0.0066 |
0.3 | 0.0147 | 0.0140 | 0.0148 | 0.0115 | 0.0135 |
0.4 | 0.0282 | 0.0271 | 0.0282 | 0.0228 | 0.0269 |
0.5 | 0.0530 | 0.0509 | 0.0526 | 0.0448 | 0.0517 |
0.6 | 0.0940 | 0.0920 | 0.0943 | 0.0842 | 0.0939 |
0.7 | 0.1597 | 0.1570 | 0.1597 | 0.1450 | 0.1604 |
0.8 | 0.2523 | 0.2490 | 0.2522 | 0.2202 | 0.2553 |
0.9 | 0.3724 | 0.3697 | 0.3724 | 0.2961 | 0.3756 |
1.0 | 0.5408 | 0.5464 | 0.5408 | 0.4018 | 0.5098 |
T = 288.15 K | |||||
0.0 | 0.0028 | 0.0027 | 0.0027 | 0.0028 | 0.0025 |
0.1 | 0.0051 | 0.0047 | 0.0049 | 0.0049 | 0.0044 |
0.2 | 0.0090 | 0.0084 | 0.0090 | 0.0091 | 0.0088 |
0.3 | 0.0166 | 0.0159 | 0.0170 | 0.0174 | 0.0177 |
0.4 | 0.0325 | 0.0312 | 0.0324 | 0.0340 | 0.0347 |
0.5 | 0.0614 | 0.0606 | 0.0614 | 0.0662 | 0.0657 |
0.6 | 0.1122 | 0.1131 | 0.1123 | 0.1232 | 0.1180 |
0.7 | 0.1935 | 0.1978 | 0.1933 | 0.2105 | 0.2001 |
0.8 | 0.3044 | 0.3143 | 0.3046 | 0.3181 | 0.3161 |
0.9 | 0.4400 | 0.4540 | 0.4400 | 0.4267 | 0.4616 |
1.0 | 0.6309 | 0.6453 | 0.6309 | 0.5777 | 0.6229 |
T = 293.15 K | |||||
0.0 | 0.0035 | 0.0034 | 0.0032 | 0.0041 | 0.0034 |
0.1 | 0.0060 | 0.0057 | 0.0058 | 0.0071 | 0.0060 |
0.2 | 0.0110 | 0.0101 | 0.0108 | 0.0129 | 0.0117 |
0.3 | 0.0200 | 0.0191 | 0.0207 | 0.0246 | 0.0230 |
0.4 | 0.0403 | 0.0380 | 0.0400 | 0.0477 | 0.0446 |
0.5 | 0.0763 | 0.0748 | 0.0766 | 0.0920 | 0.0832 |
0.6 | 0.1416 | 0.1420 | 0.1412 | 0.1698 | 0.1482 |
0.7 | 0.2431 | 0.2508 | 0.2433 | 0.2884 | 0.2494 |
0.8 | 0.3809 | 0.3959 | 0.3809 | 0.4343 | 0.3917 |
0.9 | 0.5418 | 0.5573 | 0.5418 | 0.5818 | 0.5685 |
1.0 | 0.7594 | 0.7663 | 0.7594 | 0.7871 | 0.7621 |
T = 298.15 K | |||||
0.0 | 0.0043 | 0.0043 | 0.0038 | 0.0056 | 0.0047 |
0.1 | 0.0074 | 0.0072 | 0.0069 | 0.0096 | 0.0081 |
0.2 | 0.0130 | 0.0129 | 0.0131 | 0.0174 | 0.0154 |
0.3 | 0.0251 | 0.0244 | 0.0255 | 0.0328 | 0.0298 |
0.4 | 0.0503 | 0.0484 | 0.0505 | 0.0631 | 0.0569 |
0.5 | 0.0993 | 0.0956 | 0.0991 | 0.1208 | 0.1051 |
0.6 | 0.1866 | 0.1817 | 0.1865 | 0.2215 | 0.1860 |
0.7 | 0.3246 | 0.3194 | 0.3245 | 0.3743 | 0.3120 |
0.8 | 0.5036 | 0.4975 | 0.5037 | 0.5621 | 0.4882 |
0.9 | 0.6936 | 0.6838 | 0.6935 | 0.7531 | 0.7030 |
1.0 | 0.9242 | 0.9145 | 0.9242 | 1.0196 | 0.9328 |
T = 303.15 K | |||||
0.0 | 0.0056 | 0.0056 | 0.0055 | 0.0072 | 0.0063 |
0.1 | 0.0096 | 0.0095 | 0.0096 | 0.0123 | 0.0107 |
0.2 | 0.0179 | 0.0173 | 0.0177 | 0.0222 | 0.0201 |
0.3 | 0.0337 | 0.0327 | 0.0337 | 0.0415 | 0.0384 |
0.4 | 0.0655 | 0.0644 | 0.0656 | 0.0792 | 0.0722 |
0.5 | 0.1273 | 0.1262 | 0.1272 | 0.1504 | 0.1321 |
0.6 | 0.2366 | 0.2366 | 0.2369 | 0.2742 | 0.2323 |
0.7 | 0.4078 | 0.4087 | 0.4073 | 0.4615 | 0.3882 |
0.8 | 0.6215 | 0.6239 | 0.6218 | 0.6921 | 0.6041 |
0.9 | 0.8370 | 0.8387 | 0.8369 | 0.9286 | 0.8632 |
1.0 | 1.0917 | 1.0963 | 1.0917 | 1.2598 | 1.1367 |
T = 308.15 K | |||||
0.0 | 0.0072 | 0.0075 | 0.0073 | 0.0088 | 0.0085 |
0.1 | 0.0128 | 0.0131 | 0.0128 | 0.0150 | 0.0142 |
0.2 | 0.0237 | 0.0243 | 0.0237 | 0.0268 | 0.0261 |
0.3 | 0.0451 | 0.0461 | 0.0452 | 0.0498 | 0.0491 |
0.4 | 0.0877 | 0.0895 | 0.0877 | 0.0943 | 0.0914 |
0.5 | 0.1689 | 0.1716 | 0.1685 | 0.1781 | 0.1660 |
0.6 | 0.3091 | 0.3131 | 0.3095 | 0.3232 | 0.2907 |
0.7 | 0.5225 | 0.5252 | 0.5224 | 0.5424 | 0.4841 |
0.8 | 0.7803 | 0.7806 | 0.7803 | 0.8133 | 0.7498 |
0.9 | 1.0273 | 1.0280 | 1.0273 | 1.0938 | 1.0627 |
1.0 | 1.3203 | 1.3197 | 1.3203 | 1.4890 | 1.3893 |
T = 313.15 K | |||||
0.0 | 0.0104 | 0.0102 | 0.0102 | 0.0102 | 0.0113 |
0.1 | 0.0185 | 0.0188 | 0.0185 | 0.0173 | 0.0186 |
0.2 | 0.0347 | 0.0356 | 0.0346 | 0.0308 | 0.0337 |
0.3 | 0.0663 | 0.0679 | 0.0661 | 0.0569 | 0.0628 |
0.4 | 0.1260 | 0.1292 | 0.1264 | 0.1072 | 0.1158 |
0.5 | 0.2366 | 0.2400 | 0.2367 | 0.2013 | 0.2094 |
0.6 | 0.4209 | 0.4206 | 0.4205 | 0.3639 | 0.3659 |
0.7 | 0.6845 | 0.6773 | 0.6847 | 0.6096 | 0.6073 |
0.8 | 0.9904 | 0.9747 | 0.9904 | 0.9147 | 0.9346 |
0.9 | 1.2745 | 1.2593 | 1.2745 | 1.2344 | 1.3127 |
1.0 | 1.6084 | 1.5947 | 1.6084 | 1.6881 | 1.7014 |
T = 318.15 K | |||||
0.0 | 0.0142 | 0.0142 | 0.0142 | 0.0113 | 0.0149 |
0.1 | 0.0281 | 0.0279 | 0.0280 | 0.0191 | 0.0242 |
0.2 | 0.0549 | 0.0544 | 0.0547 | 0.0338 | 0.0435 |
0.3 | 0.1053 | 0.1044 | 0.1052 | 0.0621 | 0.0803 |
0.4 | 0.1953 | 0.1935 | 0.1956 | 0.1165 | 0.1477 |
0.5 | 0.3465 | 0.3444 | 0.3465 | 0.2178 | 0.2664 |
0.6 | 0.5738 | 0.5731 | 0.5738 | 0.3925 | 0.4630 |
0.7 | 0.8731 | 0.8765 | 0.8728 | 0.6568 | 0.7612 |
0.8 | 1.2054 | 1.2144 | 1.2057 | 0.9871 | 1.1579 |
0.9 | 1.5324 | 1.5415 | 1.5323 | 1.3382 | 1.6139 |
1.0 | 1.9252 | 1.9337 | 1.9252 | 1.8405 | 2.0787 |
ωA | 102‧xFexp | 102‧xFcal,Apel | 102‧xFcal,RK | 102‧xFcal,JA | 102‧xFcal,NRTL |
---|---|---|---|---|---|
T = 278.15 K | |||||
0.0 | 0.0019 | 0.0019 | 0.0019 | 0.0009 | 0.0013 |
0.1 | 0.0037 | 0.0036 | 0.0036 | 0.0042 | 0.0032 |
0.2 | 0.0072 | 0.0070 | 0.0071 | 0.0080 | 0.0072 |
0.3 | 0.0139 | 0.0133 | 0.0139 | 0.0152 | 0.0151 |
0.4 | 0.0271 | 0.0255 | 0.0271 | 0.0286 | 0.0300 |
0.5 | 0.0517 | 0.0493 | 0.0518 | 0.0528 | 0.0563 |
0.6 | 0.0942 | 0.0916 | 0.0942 | 0.0929 | 0.0987 |
0.7 | 0.1572 | 0.1566 | 0.1570 | 0.1514 | 0.1575 |
0.8 | 0.2294 | 0.2321 | 0.2295 | 0.2205 | 0.2190 |
0.9 | 0.2828 | 0.2863 | 0.2828 | 0.2822 | 0.2536 |
1.0 | 0.2991 | 0.2986 | 0.2991 | 0.3410 | 0.2396 |
T = 283.15 K | |||||
0.0 | 0.0022 | 0.0023 | 0.0021 | 0.0016 | 0.0018 |
0.1 | 0.0043 | 0.0044 | 0.0043 | 0.0034 | 0.0043 |
0.2 | 0.0088 | 0.0088 | 0.0088 | 0.0073 | 0.0094 |
0.3 | 0.0178 | 0.0173 | 0.0178 | 0.0155 | 0.0195 |
0.4 | 0.0356 | 0.0339 | 0.0357 | 0.0324 | 0.0382 |
0.5 | 0.0688 | 0.0656 | 0.0689 | 0.0645 | 0.0713 |
0.6 | 0.1250 | 0.1201 | 0.1247 | 0.1177 | 0.1249 |
0.7 | 0.2036 | 0.1990 | 0.2038 | 0.1876 | 0.1989 |
0.8 | 0.2878 | 0.2839 | 0.2877 | 0.2462 | 0.2747 |
0.9 | 0.3383 | 0.3353 | 0.3383 | 0.2554 | 0.3142 |
1.0 | 0.3351 | 0.3343 | 0.3351 | 0.2241 | 0.2931 |
T = 288.15 K | |||||
0.0 | 0.0028 | 0.0027 | 0.0027 | 0.0026 | 0.0025 |
0.1 | 0.0055 | 0.0055 | 0.0054 | 0.0055 | 0.0057 |
0.2 | 0.0113 | 0.0113 | 0.0109 | 0.0116 | 0.0123 |
0.3 | 0.0223 | 0.0228 | 0.0222 | 0.0244 | 0.0249 |
0.4 | 0.0441 | 0.0455 | 0.0444 | 0.0503 | 0.0483 |
0.5 | 0.0854 | 0.0879 | 0.0853 | 0.0988 | 0.0896 |
0.6 | 0.1531 | 0.1585 | 0.1534 | 0.1781 | 0.1564 |
0.7 | 0.2488 | 0.2555 | 0.2483 | 0.2809 | 0.2490 |
0.8 | 0.3462 | 0.3521 | 0.3465 | 0.3660 | 0.3423 |
0.9 | 0.4005 | 0.3999 | 0.4004 | 0.3781 | 0.3887 |
1.0 | 0.3804 | 0.3827 | 0.3804 | 0.3310 | 0.3589 |
T = 293.15 K | |||||
0.0 | 0.0035 | 0.0034 | 0.0035 | 0.0040 | 0.0034 |
0.1 | 0.0072 | 0.0071 | 0.0070 | 0.0082 | 0.0076 |
0.2 | 0.0144 | 0.0148 | 0.0143 | 0.0172 | 0.0160 |
0.3 | 0.0291 | 0.0305 | 0.0290 | 0.0358 | 0.0319 |
0.4 | 0.0582 | 0.0615 | 0.0581 | 0.0729 | 0.0615 |
0.5 | 0.1113 | 0.1186 | 0.1118 | 0.1415 | 0.1137 |
0.6 | 0.2009 | 0.2106 | 0.2005 | 0.2525 | 0.1998 |
0.7 | 0.3206 | 0.3311 | 0.3207 | 0.3947 | 0.3183 |
0.8 | 0.4345 | 0.4420 | 0.4346 | 0.5114 | 0.4339 |
0.9 | 0.4780 | 0.4851 | 0.4780 | 0.5274 | 0.4827 |
1.0 | 0.4395 | 0.4473 | 0.4395 | 0.4619 | 0.4403 |
T = 298.15 K | |||||
0.0 | 0.0043 | 0.0043 | 0.0044 | 0.0057 | 0.0046 |
0.1 | 0.0091 | 0.0092 | 0.0092 | 0.0116 | 0.0101 |
0.2 | 0.0191 | 0.0197 | 0.0191 | 0.0240 | 0.0208 |
0.3 | 0.0396 | 0.0412 | 0.0396 | 0.0493 | 0.0411 |
0.4 | 0.0802 | 0.0838 | 0.0803 | 0.0992 | 0.0791 |
0.5 | 0.1557 | 0.1609 | 0.1554 | 0.1903 | 0.1478 |
0.6 | 0.2773 | 0.2816 | 0.2773 | 0.3365 | 0.2623 |
0.7 | 0.4356 | 0.4326 | 0.4358 | 0.5224 | 0.4199 |
0.8 | 0.5724 | 0.5612 | 0.5722 | 0.6745 | 0.5651 |
0.9 | 0.6041 | 0.5976 | 0.6042 | 0.6958 | 0.6120 |
1.0 | 0.5410 | 0.5330 | 0.5410 | 0.6116 | 0.5476 |
T = 303.15 K | |||||
0.0 | 0.0056 | 0.0056 | 0.0056 | 0.0076 | 0.0062 |
0.1 | 0.0125 | 0.0122 | 0.0125 | 0.0154 | 0.0133 |
0.2 | 0.0277 | 0.0266 | 0.0277 | 0.0314 | 0.0271 |
0.3 | 0.0598 | 0.0563 | 0.0596 | 0.0637 | 0.0538 |
0.4 | 0.1221 | 0.1149 | 0.1225 | 0.1269 | 0.1049 |
0.5 | 0.2338 | 0.2193 | 0.2334 | 0.2414 | 0.2001 |
0.6 | 0.3994 | 0.3787 | 0.3995 | 0.4233 | 0.3585 |
0.7 | 0.5917 | 0.5696 | 0.5917 | 0.6539 | 0.5662 |
0.8 | 0.7342 | 0.7201 | 0.7341 | 0.8426 | 0.7382 |
0.9 | 0.7548 | 0.7470 | 0.7548 | 0.8714 | 0.7785 |
1.0 | 0.6579 | 0.6465 | 0.6579 | 0.7706 | 0.6807 |
T = 308.15 K | |||||
0.0 | 0.0072 | 0.0075 | 0.0073 | 0.0095 | 0.0083 |
0.1 | 0.0163 | 0.0166 | 0.0163 | 0.0191 | 0.0174 |
0.2 | 0.0359 | 0.0363 | 0.0360 | 0.0387 | 0.0350 |
0.3 | 0.0770 | 0.0776 | 0.0772 | 0.0778 | 0.0692 |
0.4 | 0.1579 | 0.1583 | 0.1578 | 0.1536 | 0.1358 |
0.5 | 0.2987 | 0.3003 | 0.2987 | 0.2896 | 0.2614 |
0.6 | 0.5078 | 0.5118 | 0.5075 | 0.5047 | 0.4737 |
0.7 | 0.7470 | 0.7551 | 0.7475 | 0.7765 | 0.7492 |
0.8 | 0.9252 | 0.9329 | 0.9249 | 1.0004 | 0.9681 |
0.9 | 0.9465 | 0.9463 | 0.9466 | 1.0392 | 0.9999 |
1.0 | 0.7872 | 0.7974 | 0.7872 | 0.9268 | 0.8442 |
T = 313.15 K | |||||
0.0 | 0.0104 | 0.0102 | 0.0104 | 0.0114 | 0.0110 |
0.1 | 0.0230 | 0.0229 | 0.0229 | 0.0225 | 0.0228 |
0.2 | 0.0503 | 0.0503 | 0.0503 | 0.0452 | 0.0457 |
0.3 | 0.1070 | 0.1079 | 0.1070 | 0.0900 | 0.0908 |
0.4 | 0.2173 | 0.2194 | 0.2172 | 0.1762 | 0.1813 |
0.5 | 0.4078 | 0.4128 | 0.4081 | 0.3300 | 0.3575 |
0.6 | 0.6875 | 0.6950 | 0.6872 | 0.5720 | 0.6612 |
0.7 | 0.9975 | 1.0077 | 0.9977 | 0.8778 | 1.0460 |
0.8 | 1.2073 | 1.2196 | 1.2072 | 1.1325 | 1.3160 |
0.9 | 1.2005 | 1.2139 | 1.2005 | 1.1837 | 1.3043 |
1.0 | 0.9957 | 0.9989 | 0.9957 | 1.0672 | 1.0691 |
T = 318.15 K | |||||
0.0 | 0.0142 | 0.0142 | 0.0143 | 0.0128 | 0.0147 |
0.1 | 0.0321 | 0.0321 | 0.0320 | 0.0252 | 0.0299 |
0.2 | 0.0705 | 0.0705 | 0.0707 | 0.0501 | 0.0601 |
0.3 | 0.1517 | 0.1514 | 0.1511 | 0.0990 | 0.1215 |
0.4 | 0.3061 | 0.3055 | 0.3063 | 0.1924 | 0.2499 |
0.5 | 0.5713 | 0.5697 | 0.5717 | 0.3581 | 0.5117 |
0.6 | 0.9506 | 0.9477 | 0.9505 | 0.6182 | 0.9689 |
0.7 | 1.3575 | 1.3526 | 1.3573 | 0.9475 | 1.5270 |
0.8 | 1.6141 | 1.6075 | 1.6144 | 1.2258 | 1.8612 |
0.9 | 1.5814 | 1.5753 | 1.5813 | 1.2914 | 1.7629 |
1.0 | 1.2723 | 1.2695 | 1.2723 | 1.1795 | 1.3705 |
ωA | 102‧xFexp | 102‧xFcal,Apel | 102‧xFcal,RK | 102‧xFcal,JA | 102‧xFcal,NRTL |
---|---|---|---|---|---|
T = 278.15 K | |||||
0.0 | 0.0019 | 0.0019 | 0.0019 | 0.0008 | 0.0010 |
0.1 | 0.0034 | 0.0035 | 0.0034 | 0.0040 | 0.0027 |
0.2 | 0.0062 | 0.0064 | 0.0062 | 0.0072 | 0.0057 |
0.3 | 0.0113 | 0.0115 | 0.0113 | 0.0127 | 0.0115 |
0.4 | 0.0202 | 0.0203 | 0.0202 | 0.0218 | 0.0217 |
0.5 | 0.0347 | 0.0343 | 0.0347 | 0.0356 | 0.0379 |
0.6 | 0.0553 | 0.0553 | 0.0553 | 0.0535 | 0.0601 |
0.7 | 0.0783 | 0.0784 | 0.0783 | 0.0720 | 0.0831 |
0.8 | 0.0946 | 0.0947 | 0.0946 | 0.0865 | 0.0967 |
0.9 | 0.0960 | 0.0957 | 0.0960 | 0.0969 | 0.0922 |
1.0 | 0.0770 | 0.0762 | 0.0770 | 0.0888 | 0.0712 |
T = 283.15 K | |||||
0.0 | 0.0022 | 0.0023 | 0.0022 | 0.0015 | 0.0015 |
0.1 | 0.0041 | 0.0043 | 0.0041 | 0.0032 | 0.0037 |
0.2 | 0.0079 | 0.0081 | 0.0079 | 0.0067 | 0.0078 |
0.3 | 0.0149 | 0.0151 | 0.0149 | 0.0137 | 0.0154 |
0.4 | 0.0274 | 0.0276 | 0.0274 | 0.0266 | 0.0288 |
0.5 | 0.0475 | 0.0473 | 0.0475 | 0.0475 | 0.0499 |
0.6 | 0.0751 | 0.0757 | 0.0751 | 0.0747 | 0.0788 |
0.7 | 0.1042 | 0.1054 | 0.1042 | 0.0991 | 0.1086 |
0.8 | 0.1239 | 0.1252 | 0.1239 | 0.1087 | 0.1258 |
0.9 | 0.1275 | 0.1272 | 0.1275 | 0.1026 | 0.1201 |
1.0 | 0.0961 | 0.0960 | 0.0961 | 0.0671 | 0.0926 |
T = 288.15 K | |||||
0.0 | 0.0028 | 0.0027 | 0.0028 | 0.0025 | 0.0022 |
0.1 | 0.0054 | 0.0054 | 0.0054 | 0.0053 | 0.0052 |
0.2 | 0.0105 | 0.0105 | 0.0105 | 0.0109 | 0.0107 |
0.3 | 0.0202 | 0.0203 | 0.0202 | 0.0220 | 0.0207 |
0.4 | 0.0376 | 0.0377 | 0.0376 | 0.0423 | 0.0383 |
0.5 | 0.0655 | 0.0654 | 0.0655 | 0.0748 | 0.0661 |
0.6 | 0.1033 | 0.1036 | 0.1033 | 0.1170 | 0.1041 |
0.7 | 0.1417 | 0.1416 | 0.1417 | 0.1545 | 0.1425 |
0.8 | 0.1652 | 0.1649 | 0.1652 | 0.1696 | 0.1642 |
0.9 | 0.1666 | 0.1676 | 0.1666 | 0.1606 | 0.1561 |
1.0 | 0.1209 | 0.1211 | 0.1209 | 0.1063 | 0.1198 |
T = 293.15 K | |||||
0.0 | 0.0035 | 0.0034 | 0.0035 | 0.0039 | 0.0031 |
0.1 | 0.0070 | 0.0068 | 0.0070 | 0.0081 | 0.0072 |
0.2 | 0.0140 | 0.0139 | 0.0140 | 0.0164 | 0.0145 |
0.3 | 0.0274 | 0.0275 | 0.0274 | 0.0328 | 0.0278 |
0.4 | 0.0518 | 0.0520 | 0.0518 | 0.0625 | 0.0510 |
0.5 | 0.0906 | 0.0907 | 0.0906 | 0.1097 | 0.0880 |
0.6 | 0.1422 | 0.1420 | 0.1422 | 0.1704 | 0.1384 |
0.7 | 0.1920 | 0.1899 | 0.1920 | 0.2245 | 0.1883 |
0.8 | 0.2195 | 0.2163 | 0.2195 | 0.2466 | 0.2149 |
0.9 | 0.2191 | 0.2192 | 0.2191 | 0.2346 | 0.2030 |
1.0 | 0.1519 | 0.1529 | 0.1519 | 0.1572 | 0.1544 |
T = 298.15 K | |||||
0.0 | 0.0043 | 0.0043 | 0.0044 | 0.0057 | 0.0044 |
0.1 | 0.0091 | 0.0089 | 0.0091 | 0.0115 | 0.0098 |
0.2 | 0.0190 | 0.0186 | 0.0190 | 0.0232 | 0.0196 |
0.3 | 0.0382 | 0.0377 | 0.0382 | 0.0457 | 0.0373 |
0.4 | 0.0729 | 0.0722 | 0.0729 | 0.0863 | 0.0688 |
0.5 | 0.1272 | 0.1260 | 0.1272 | 0.1502 | 0.1189 |
0.6 | 0.1952 | 0.1946 | 0.1952 | 0.2321 | 0.1859 |
0.7 | 0.2545 | 0.2543 | 0.2545 | 0.3052 | 0.2496 |
0.8 | 0.2826 | 0.2828 | 0.2826 | 0.3359 | 0.2805 |
0.9 | 0.2846 | 0.2846 | 0.2846 | 0.3212 | 0.2638 |
1.0 | 0.1930 | 0.1932 | 0.1930 | 0.2181 | 0.1985 |
T = 303.15 K | |||||
0.0 | 0.0056 | 0.0056 | 0.0055 | 0.0076 | 0.0062 |
0.1 | 0.0119 | 0.0119 | 0.0119 | 0.0153 | 0.0134 |
0.2 | 0.0255 | 0.0254 | 0.0255 | 0.0306 | 0.0264 |
0.3 | 0.0523 | 0.0522 | 0.0523 | 0.0598 | 0.0505 |
0.4 | 0.1009 | 0.1007 | 0.1009 | 0.1118 | 0.0932 |
0.5 | 0.1755 | 0.1755 | 0.1755 | 0.1932 | 0.1620 |
0.6 | 0.2653 | 0.2668 | 0.2653 | 0.2970 | 0.2528 |
0.7 | 0.3370 | 0.3402 | 0.3370 | 0.3899 | 0.3338 |
0.8 | 0.3649 | 0.3684 | 0.3649 | 0.4301 | 0.3680 |
0.9 | 0.3678 | 0.3670 | 0.3678 | 0.4138 | 0.3433 |
1.0 | 0.2444 | 0.2443 | 0.2444 | 0.2849 | 0.2544 |
T = 308.15 K | |||||
0.0 | 0.0072 | 0.0075 | 0.0072 | 0.0097 | 0.0086 |
0.1 | 0.0159 | 0.0163 | 0.0159 | 0.0192 | 0.0183 |
0.2 | 0.0345 | 0.0352 | 0.0345 | 0.0380 | 0.0359 |
0.3 | 0.0720 | 0.0731 | 0.0720 | 0.0735 | 0.0685 |
0.4 | 0.1402 | 0.1412 | 0.1402 | 0.1364 | 0.1282 |
0.5 | 0.2446 | 0.2448 | 0.2446 | 0.2341 | 0.2262 |
0.6 | 0.3670 | 0.3657 | 0.3670 | 0.3583 | 0.3525 |
0.7 | 0.4574 | 0.4544 | 0.4574 | 0.4699 | 0.4573 |
0.8 | 0.4808 | 0.4784 | 0.4808 | 0.5198 | 0.4894 |
0.9 | 0.4701 | 0.4703 | 0.4701 | 0.5035 | 0.4469 |
1.0 | 0.3095 | 0.3092 | 0.3095 | 0.3520 | 0.3254 |
T = 313.15 K | |||||
0.0 | 0.0104 | 0.0102 | 0.0104 | 0.0116 | 0.0120 |
0.1 | 0.0230 | 0.0226 | 0.0230 | 0.0227 | 0.0252 |
0.2 | 0.0499 | 0.0494 | 0.0499 | 0.0445 | 0.0494 |
0.3 | 0.1035 | 0.1032 | 0.1035 | 0.0854 | 0.0957 |
0.4 | 0.1995 | 0.1990 | 0.1995 | 0.1573 | 0.1821 |
0.5 | 0.3419 | 0.3419 | 0.3419 | 0.2682 | 0.3239 |
0.6 | 0.5001 | 0.5013 | 0.5001 | 0.4091 | 0.5001 |
0.7 | 0.6047 | 0.6060 | 0.6047 | 0.5361 | 0.6294 |
0.8 | 0.6181 | 0.6190 | 0.6181 | 0.5951 | 0.6514 |
0.9 | 0.5984 | 0.5987 | 0.5984 | 0.5808 | 0.5835 |
1.0 | 0.3922 | 0.3915 | 0.3922 | 0.4125 | 0.4159 |
T = 318.15 K | |||||
0.0 | 0.0142 | 0.0142 | 0.0143 | 0.0131 | 0.0167 |
0.1 | 0.0320 | 0.0320 | 0.0320 | 0.0255 | 0.0347 |
0.2 | 0.0701 | 0.0702 | 0.0701 | 0.0495 | 0.0686 |
0.3 | 0.1464 | 0.1469 | 0.1464 | 0.0942 | 0.1359 |
0.4 | 0.2818 | 0.2817 | 0.2818 | 0.1720 | 0.2653 |
0.5 | 0.4785 | 0.4780 | 0.4785 | 0.2917 | 0.4793 |
0.6 | 0.6868 | 0.6868 | 0.6868 | 0.4434 | 0.7325 |
0.7 | 0.8071 | 0.8068 | 0.8071 | 0.5811 | 0.8876 |
0.8 | 0.7988 | 0.7985 | 0.7988 | 0.6475 | 0.8778 |
0.9 | 0.7579 | 0.7578 | 0.7579 | 0.6370 | 0.7647 |
1.0 | 0.4953 | 0.4958 | 0.4953 | 0.4600 | 0.5314 |
ωA | 102‧xFexp | 102‧xFcal,Apel | 102‧xFcal,RK | 102‧xFcal,JA | 102‧xFcal,NRTL |
---|---|---|---|---|---|
T = 278.15 K | |||||
0.0 | 0.0019 | 0.0019 | 0.0020 | 0.0009 | 0.0011 |
0.1 | 0.0033 | 0.0033 | 0.0033 | 0.0037 | 0.0025 |
0.2 | 0.0057 | 0.0057 | 0.0057 | 0.0063 | 0.0051 |
0.3 | 0.0098 | 0.0099 | 0.0098 | 0.0108 | 0.0098 |
0.4 | 0.0166 | 0.0166 | 0.0166 | 0.0179 | 0.0177 |
0.5 | 0.0275 | 0.0274 | 0.0273 | 0.0284 | 0.0297 |
0.6 | 0.0421 | 0.0423 | 0.0425 | 0.0421 | 0.0456 |
0.7 | 0.0599 | 0.0597 | 0.0596 | 0.0565 | 0.0624 |
0.8 | 0.0724 | 0.0726 | 0.0725 | 0.0681 | 0.0742 |
0.9 | 0.0750 | 0.0751 | 0.0750 | 0.0765 | 0.0748 |
1.0 | 0.0707 | 0.0700 | 0.0707 | 0.0785 | 0.0629 |
T = 283.15 K | |||||
0.0 | 0.0022 | 0.0023 | 0.0022 | 0.0015 | 0.0016 |
0.1 | 0.0039 | 0.0040 | 0.0039 | 0.0030 | 0.0035 |
0.2 | 0.0071 | 0.0072 | 0.0071 | 0.0059 | 0.0071 |
0.3 | 0.0127 | 0.0129 | 0.0126 | 0.0115 | 0.0133 |
0.4 | 0.0222 | 0.0223 | 0.0222 | 0.0213 | 0.0237 |
0.5 | 0.0370 | 0.0375 | 0.0372 | 0.0369 | 0.0395 |
0.6 | 0.0581 | 0.0579 | 0.0579 | 0.0572 | 0.0604 |
0.7 | 0.0801 | 0.0805 | 0.0802 | 0.0760 | 0.0823 |
0.8 | 0.0963 | 0.0964 | 0.0963 | 0.0842 | 0.0975 |
0.9 | 0.1006 | 0.1000 | 0.1006 | 0.0805 | 0.0982 |
1.0 | 0.0882 | 0.0882 | 0.0882 | 0.0620 | 0.0821 |
T = 288.15 K | |||||
0.0 | 0.0028 | 0.0027 | 0.0028 | 0.0026 | 0.0023 |
0.1 | 0.0051 | 0.0050 | 0.0051 | 0.0050 | 0.0049 |
0.2 | 0.0094 | 0.0093 | 0.0094 | 0.0096 | 0.0096 |
0.3 | 0.0173 | 0.0171 | 0.0171 | 0.0184 | 0.0179 |
0.4 | 0.0301 | 0.0304 | 0.0304 | 0.0339 | 0.0316 |
0.5 | 0.0514 | 0.0514 | 0.0513 | 0.0582 | 0.0525 |
0.6 | 0.0794 | 0.0794 | 0.0794 | 0.0897 | 0.0801 |
0.7 | 0.1086 | 0.1085 | 0.1085 | 0.1187 | 0.1088 |
0.8 | 0.1275 | 0.1276 | 0.1276 | 0.1316 | 0.1281 |
0.9 | 0.1314 | 0.1321 | 0.1314 | 0.1262 | 0.1284 |
1.0 | 0.1110 | 0.1112 | 0.1110 | 0.0982 | 0.1066 |
T = 293.15 K | |||||
0.0 | 0.0035 | 0.0034 | 0.0036 | 0.0039 | 0.0032 |
0.1 | 0.0066 | 0.0065 | 0.0067 | 0.0076 | 0.0067 |
0.2 | 0.0126 | 0.0123 | 0.0126 | 0.0145 | 0.0130 |
0.3 | 0.0235 | 0.0230 | 0.0235 | 0.0275 | 0.0240 |
0.4 | 0.0421 | 0.0418 | 0.0422 | 0.0501 | 0.0423 |
0.5 | 0.0715 | 0.0709 | 0.0712 | 0.0853 | 0.0701 |
0.6 | 0.1089 | 0.1089 | 0.1091 | 0.1307 | 0.1066 |
0.7 | 0.1461 | 0.1461 | 0.1462 | 0.1726 | 0.1441 |
0.8 | 0.1687 | 0.1682 | 0.1686 | 0.1916 | 0.1683 |
0.9 | 0.1728 | 0.1729 | 0.1728 | 0.1847 | 0.1676 |
1.0 | 0.1395 | 0.1404 | 0.1395 | 0.1451 | 0.1378 |
T = 298.15 K | |||||
0.0 | 0.0043 | 0.0043 | 0.0043 | 0.0057 | 0.0045 |
0.1 | 0.0084 | 0.0085 | 0.0084 | 0.0107 | 0.0090 |
0.2 | 0.0165 | 0.0164 | 0.0165 | 0.0204 | 0.0176 |
0.3 | 0.0316 | 0.0314 | 0.0316 | 0.0383 | 0.0322 |
0.4 | 0.0582 | 0.0577 | 0.0580 | 0.0692 | 0.0566 |
0.5 | 0.0981 | 0.0981 | 0.0986 | 0.1170 | 0.0939 |
0.6 | 0.1500 | 0.1494 | 0.1497 | 0.1783 | 0.1430 |
0.7 | 0.1962 | 0.1963 | 0.1962 | 0.2349 | 0.1916 |
0.8 | 0.2203 | 0.2208 | 0.2204 | 0.2613 | 0.2210 |
0.9 | 0.2248 | 0.2247 | 0.2248 | 0.2532 | 0.2184 |
1.0 | 0.1772 | 0.1774 | 0.1772 | 0.2012 | 0.1775 |
T = 303.15 K | |||||
0.0 | 0.0056 | 0.0056 | 0.0057 | 0.0076 | 0.0063 |
0.1 | 0.0112 | 0.0113 | 0.0113 | 0.0143 | 0.0121 |
0.2 | 0.0223 | 0.0224 | 0.0224 | 0.0269 | 0.0236 |
0.3 | 0.0432 | 0.0433 | 0.0434 | 0.0500 | 0.0432 |
0.4 | 0.0801 | 0.0803 | 0.0801 | 0.0897 | 0.0762 |
0.5 | 0.1365 | 0.1363 | 0.1359 | 0.1505 | 0.1273 |
0.6 | 0.2041 | 0.2051 | 0.2046 | 0.2284 | 0.1932 |
0.7 | 0.2638 | 0.2634 | 0.2637 | 0.3005 | 0.2569 |
0.8 | 0.2898 | 0.2887 | 0.2897 | 0.3350 | 0.2917 |
0.9 | 0.2899 | 0.2898 | 0.2899 | 0.3266 | 0.2843 |
1.0 | 0.2244 | 0.2244 | 0.2244 | 0.2626 | 0.2280 |
T = 308.15 K | |||||
0.0 | 0.0072 | 0.0075 | 0.0071 | 0.0096 | 0.0086 |
0.1 | 0.0151 | 0.0153 | 0.0146 | 0.0179 | 0.0162 |
0.2 | 0.0302 | 0.0309 | 0.0300 | 0.0334 | 0.0317 |
0.3 | 0.0592 | 0.0604 | 0.0596 | 0.0615 | 0.0582 |
0.4 | 0.1119 | 0.1125 | 0.1116 | 0.1094 | 0.1039 |
0.5 | 0.1895 | 0.1899 | 0.1898 | 0.1825 | 0.1748 |
0.6 | 0.2818 | 0.2816 | 0.2818 | 0.2758 | 0.2659 |
0.7 | 0.3533 | 0.3529 | 0.3530 | 0.3625 | 0.3477 |
0.8 | 0.3753 | 0.3760 | 0.3756 | 0.4053 | 0.3855 |
0.9 | 0.3715 | 0.3710 | 0.3714 | 0.3978 | 0.3703 |
1.0 | 0.2842 | 0.2839 | 0.2842 | 0.3239 | 0.2920 |
T = 313.15 K | |||||
0.0 | 0.0104 | 0.0102 | 0.0104 | 0.0115 | 0.0120 |
0.1 | 0.0215 | 0.0212 | 0.0215 | 0.0212 | 0.0218 |
0.2 | 0.0439 | 0.0432 | 0.0438 | 0.0391 | 0.0432 |
0.3 | 0.0864 | 0.0853 | 0.0861 | 0.0714 | 0.0803 |
0.4 | 0.1588 | 0.1583 | 0.1591 | 0.1263 | 0.1447 |
0.5 | 0.2655 | 0.2654 | 0.2658 | 0.2094 | 0.2457 |
0.6 | 0.3869 | 0.3865 | 0.3864 | 0.3153 | 0.3725 |
0.7 | 0.4713 | 0.4721 | 0.4716 | 0.4142 | 0.4763 |
0.8 | 0.4877 | 0.4880 | 0.4876 | 0.4645 | 0.5134 |
0.9 | 0.4711 | 0.4717 | 0.4711 | 0.4592 | 0.4821 |
1.0 | 0.3601 | 0.3595 | 0.3601 | 0.3790 | 0.3737 |
T = 318.15 K | |||||
0.0 | 0.0142 | 0.0142 | 0.0142 | 0.0129 | 0.0164 |
0.1 | 0.0296 | 0.0297 | 0.0297 | 0.0237 | 0.0292 |
0.2 | 0.0611 | 0.0613 | 0.0612 | 0.0435 | 0.0589 |
0.3 | 0.1212 | 0.1215 | 0.1211 | 0.0787 | 0.1115 |
0.4 | 0.2239 | 0.2240 | 0.2239 | 0.1382 | 0.2055 |
0.5 | 0.3717 | 0.3717 | 0.3714 | 0.2280 | 0.3545 |
0.6 | 0.5303 | 0.5305 | 0.5307 | 0.3422 | 0.5336 |
0.7 | 0.6308 | 0.6305 | 0.6305 | 0.4495 | 0.6646 |
0.8 | 0.6312 | 0.6310 | 0.6313 | 0.5059 | 0.6889 |
0.9 | 0.5961 | 0.5959 | 0.5961 | 0.5039 | 0.6295 |
1.0 | 0.4548 | 0.4552 | 0.4548 | 0.4218 | 0.4777 |
ωA | A | 10−3 B | C | 105 RMSD |
---|---|---|---|---|
Methanol + water | ||||
0.0 | −808.13 | 31,693.03 | 121.41 | 0.13 |
0.1 | −1247.43 | 51,196.87 | 187.13 | 0.29 |
0.2 | −1405.06 | 58,101.88 | 210.83 | 0.66 |
0.3 | −1448.94 | 60,069.52 | 217.49 | 1.09 |
0.4 | −1265.91 | 52,002.49 | 190.23 | 2.21 |
0.5 | −964.28 | 38,656.35 | 145.27 | 2.72 |
0.6 | −612.52 | 23,123.44 | 92.78 | 2.42 |
0.7 | −294.48 | 9157.60 | 45.29 | 4.71 |
0.8 | −121.01 | 1711.19 | 19.30 | 9.82 |
0.9 | −144.46 | 3117.79 | 22.64 | 10.82 |
1.0 | −245.25 | 7999.35 | 37.51 | 10.12 |
Ethanol + water | ||||
0.0 | −808.13 | 31,693.03 | 121.41 | 0.13 |
0.1 | −692.87 | 26,257.05 | 104.52 | 0.16 |
0.2 | −574.18 | 20,756.06 | 87.06 | 0.48 |
0.3 | −484.37 | 16,577.92 | 73.89 | 1.46 |
0.4 | −389.78 | 12,315.84 | 59.92 | 3.15 |
0.5 | −352.72 | 10,766.72 | 54.44 | 6.18 |
0.6 | −356.69 | 11,178.37 | 54.99 | 8.71 |
0.7 | −388.18 | 12,934.37 | 59.56 | 9.84 |
0.8 | −435.46 | 15,461.08 | 66.42 | 8.77 |
0.9 | −509.61 | 19,190.21 | 77.25 | 6.60 |
1.0 | −568.06 | 22,266.08 | 85.68 | 6.53 |
1-Propanol + water | ||||
0.0 | −808.13 | 31,693.03 | 121.41 | 0.13 |
0.1 | −730.72 | 27,893.79 | 110.19 | 0.18 |
0.2 | −611.35 | 22,249.17 | 92.70 | 0.26 |
0.3 | −495.99 | 16,869.26 | 75.74 | 0.46 |
0.4 | −391.10 | 12,093.60 | 60.25 | 0.53 |
0.5 | −297.79 | 7967.05 | 46.40 | 0.45 |
0.6 | −243.35 | 5785.18 | 38.21 | 0.71 |
0.7 | −187.66 | 3677.54 | 29.72 | 1.77 |
0.8 | −119.49 | 1030.92 | 19.34 | 1.85 |
0.9 | −33.04 | −2688.41 | 6.35 | 0.47 |
1.0 | −198.02 | 4989.83 | 30.72 | 0.52 |
Isopropanol + water | ||||
0.0 | −803.53 | 31,693.18 | 121.42 | 12.57 |
0.1 | −670.31 | 25,192.77 | 101.17 | 0.16 |
0.2 | −614.35 | 22,428.78 | 93.09 | 0.35 |
0.3 | −540.78 | 18,938.95 | 82.35 | 0.60 |
0.4 | −406.90 | 12,831.21 | 62.55 | 0.35 |
0.5 | −332.50 | 9549.48 | 51.52 | 0.30 |
0.6 | −246.67 | 5901.59 | 38.68 | 0.43 |
0.7 | −188.89 | 3672.04 | 29.90 | 0.38 |
0.8 | −112.41 | 647.18 | 18.27 | 0.52 |
0.9 | −17.13 | −3411.03 | 3.94 | 0.41 |
1.0 | −197.97 | 4983.43 | 30.70 | 0.47 |
T/K | B0 | B1 | B2 | B3 | B4 | 106 RMSD |
---|---|---|---|---|---|---|
Methanol + water | ||||||
278.15 | −10.84 | 9.21 | 0.29 | −9.07 | 5.07 | 0.86 |
283.15 | −10.77 | 11.31 | −6.39 | −1.24 | 1.87 | 1.68 |
288.15 | −10.51 | 9.99 | −1.61 | −7.34 | 4.41 | 1.66 |
293.15 | −10.35 | 10.18 | −1.55 | −7.81 | 4.65 | 3.05 |
298.15 | −10.17 | 10.15 | −0.12 | −10.22 | 5.69 | 2.64 |
303.15 | −9.81 | 9.45 | 1.51 | −12.11 | 6.44 | 2.18 |
308.15 | −9.53 | 9.61 | 0.95 | −11.79 | 6.43 | 1.84 |
313.15 | −9.19 | 10.24 | −1.73 | −8.76 | 5.30 | 1.94 |
318.15 | −8.86 | 12.11 | −9.35 | 0.48 | 1.68 | 1.67 |
Ethanol + water | ||||||
278.15 | −10.88 | 16.50 | −19.06 | 8.80 | −1.17 | 0.97 |
283.15 | −10.76 | 17.76 | −22.37 | 11.93 | −2.26 | 1.13 |
288.15 | −10.54 | 17.82 | −22.82 | 12.56 | −2.59 | 2.44 |
293.15 | −10.27 | 17.72 | −21.99 | 10.62 | −1.51 | 2.18 |
298.15 | −10.02 | 18.38 | −23.54 | 11.58 | −1.62 | 1.29 |
303.15 | −9.79 | 20.56 | −31.51 | 21.25 | −5.53 | 1.79 |
308.15 | −9.52 | 20.61 | −32.18 | 22.54 | −6.28 | 2.07 |
313.15 | −9.17 | 20.36 | −31.48 | 21.24 | −5.55 | 1.58 |
318.15 | −8.86 | 20.74 | −33.10 | 23.29 | −6.44 | 2.69 |
1-Propanol + water | ||||||
278.15 | −10.88 | 19.40 | −35.74 | 29.69 | −9.64 | 0.84 |
283.15 | −10.74 | 21.34 | −42.71 | 39.17 | −14.00 | 1.90 |
288.15 | −10.49 | 22.05 | −45.03 | 41.86 | −15.10 | 0.90 |
293.15 | −10.27 | 23.11 | −48.76 | 46.64 | −17.22 | 1.96 |
298.15 | −10.04 | 24.62 | −55.04 | 55.41 | −21.20 | 0.73 |
303.15 | −9.80 | 25.78 | −59.73 | 61.81 | −24.07 | 2.45 |
308.15 | −9.54 | 26.50 | −62.14 | 64.34 | −24.94 | 0.99 |
313.15 | −9.17 | 26.66 | −64.04 | 67.32 | −26.31 | 0.95 |
318.15 | −8.86 | 27.17 | −66.55 | 70.57 | −27.65 | 2.29 |
Isopropanol + water | ||||||
278.15 | −10.82 | 17.01 | −29.32 | 22.14 | −6.26 | 1.49 |
283.15 | −10.72 | 19.06 | −36.19 | 31.21 | −10.39 | 1.07 |
288.15 | −10.49 | 20.04 | −39.52 | 35.31 | −12.14 | 1.26 |
293.15 | −10.24 | 20.98 | −43.21 | 40.36 | −14.46 | 1.24 |
298.15 | −10.06 | 22.56 | −48.77 | 47.46 | −17.52 | 1.75 |
303.15 | −9.78 | 23.06 | −50.73 | 49.82 | −18.47 | 2.60 |
308.15 | −9.56 | 24.39 | −55.68 | 56.13 | −21.15 | 2.56 |
313.15 | −9.17 | 24.23 | −56.16 | 56.91 | −21.43 | 2.43 |
318.15 | −8.86 | 24.74 | −58.55 | 59.89 | −22.61 | 1.84 |
Parameters | Methanol + Water | Ethanol + Water | 1-Propanol + Water | Isopropanol + Water |
---|---|---|---|---|
A0 | 1150.09 | 1283.14 | 1319.05 | 1311.57 |
A1 | −55,906.60 | −62,424.52 | −64,161.55 | −63,771.45 |
A2 | −170.66 | −190.18 | −195.46 | −194.37 |
A3 | −202.15 | −297.98 | −117.67 | −102.52 |
A4 | 11,130.77 | 18,497.31 | 11,834.44 | 10,480.10 |
A5 | 633.01 | −6878.54 | −15,035.27 | −13,079.80 |
A6 | −3937.48 | 3236.22 | 14,406.50 | 11,955.51 |
A7 | 2128.14 | −374.34 | −5287.30 | −4158.02 |
A8 | 30.53 | 44.60 | 17.81 | 15.56 |
104 RMSD | 6.05 | 8.94 | 5.06 | 3.99 |
Parameters | Methanol + Water | Ethanol + Water | 1-Propanol + Water | Isopropanol + Water |
---|---|---|---|---|
Δɡij | −11,849.11 | −8212.77 | −4953.91 | −4872.17 |
Δɡik | 16,346.95 | −3890.03 | −614.55 | 4267.26 |
Δɡji | 20,776.62 | 19,191.90 | 14,438.84 | 14,463.19 |
Δɡjk | −24,560.44 | −1492.57 | −11,331.24 | −54,803.48 |
Δɡki | 13,303.06 | 21,868.77 | 15,568.84 | 13,816.73 |
Δɡkj | 6591.86 | 5907.92 | 15,793.93 | 7239.98 |
104 RMSD | 3.33 | 4.50 | 1.55 | 1.01 |
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Zhang, X.; Cui, P.; Yin, Q.; Zhou, L. Measurement and Correlation of the Solubility of Florfenicol in Four Binary Solvent Mixtures from T = (278.15 to 318.15) K. Crystals 2022, 12, 1176. https://doi.org/10.3390/cryst12081176
Zhang X, Cui P, Yin Q, Zhou L. Measurement and Correlation of the Solubility of Florfenicol in Four Binary Solvent Mixtures from T = (278.15 to 318.15) K. Crystals. 2022; 12(8):1176. https://doi.org/10.3390/cryst12081176
Chicago/Turabian StyleZhang, Xinyuan, Pingping Cui, Qiuxiang Yin, and Ling Zhou. 2022. "Measurement and Correlation of the Solubility of Florfenicol in Four Binary Solvent Mixtures from T = (278.15 to 318.15) K" Crystals 12, no. 8: 1176. https://doi.org/10.3390/cryst12081176
APA StyleZhang, X., Cui, P., Yin, Q., & Zhou, L. (2022). Measurement and Correlation of the Solubility of Florfenicol in Four Binary Solvent Mixtures from T = (278.15 to 318.15) K. Crystals, 12(8), 1176. https://doi.org/10.3390/cryst12081176