Table 5.
Optimized Values for the Correlation Parameters in the Modified Apelblat and λh Model Equations Used for the Correlation of the Mole Fraction Solubility of MBQ-167 (1) in All Neat and Binary Solvent Mixtures along with the Respective ARD %
| model | |||||||
|---|---|---|---|---|---|---|---|
| Apelblat | λh | ||||||
| solvent | A | B | C | ARD %a | λ | h | ARD %a |
| acetonitrile | −443.1194 | 16425.3698 | 67.1173 | 0.2361 | 0.25545 | 16592.5453 | 3.3217 |
| 1-butanol | −196.1966 | 4822.7228 | 30.4414 | 0.2507 | 0.14561 | 31937.1506 | 3.4100 |
| 2-butanol | −156.6310 | 2204.0637 | 24.9597 | 0.1832 | 0.24305 | 23103.7549 | 3.2872 |
| ethanol | −386.4335 | 13683.1852 | 58.5322 | 0.3538 | 0.0717 | 61290.6492 | 4.9541 |
| ethyl acetate | −255.2047 | 8870.7949 | 38.6984 | 0.0878 | 0.11254 | 24903.2163 | 1.0796 |
| methanol | −454.6354 | 16965.7247 | 68.5615 | 0.2679 | 0.04717 | 85040.3310 | 4.0599 |
| 1-propanol | −362.0488 | 12446.2146 | 55.0297 | 0.4779 | 0.12821 | 36844.6411 | 4.7347 |
| 2-propanol | −344.6907 | 11104.7369 | 52.6479 | 0.5068 | 0.12637 | 43024.7643 | 4.1343 |
| ethyl acetate (2) + heptane (3)b | |||||||
| w3 = 0.08 | −330.2920 | 12212.7433 | 49.8803 | 0.0989 | 0.11557 | 25840.0903 | 1.8384 |
| w3 = 0.16 | −114.1324 | 2591.4733 | 17.5737 | 0.1110 | 0.05911 | 42962.2196 | 0.6763 |
| w3 = 0.23 | −204.1964 | 6521.3163 | 31.0291 | 0.0150 | 0.06593 | 43165.6726 | 0.8950 |
| w3 = 0.34 | −46.1346 | −515.8387 | 7.3783 | 0.1471 | 0.03264 | 75828.3582 | 0.0229 |
| w3 = 0.43 | −61.3324 | 71.5542 | 9.6288 | 0.0513 | 0.02517 | 103636.549 | 0.1114 |
| ethanol (2) + water (3)c | |||||||
| w3 = 0.24 | −407.8217 | 14155.5350 | 61.6953 | 1.8304 | 0.02921 | 183599.167 | 6.5366 |
| w3 = 0.36 | −363.8653 | 12627.8448 | 54.7877 | 0.4128 | 0.00674 | 645411.633 | 3.6174 |
| w3 = 0.46 | −362.2844 | 12133.3526 | 54.6336 | 0.7647 | 0.00537 | 953914.659 | 6.0855 |
ARD % represents the corresponding percentage average relative deviation.
w3 is the mass fraction of heptane (3) in a binary ethyl acetate (2) + heptane (3) mixture.
w3 is the mass fraction of water (3) in a binary ethanol (2) + water (3) mixture.