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. Author manuscript; available in PMC: 2022 Oct 18.
Published in final edited form as: J Chem Eng Data. 2020 Dec 10;66(1):832–839. doi: 10.1021/acs.jced.0c00908

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
a

ARD % represents the corresponding percentage average relative deviation.

b

w3 is the mass fraction of heptane (3) in a binary ethyl acetate (2) + heptane (3) mixture.

c

w3 is the mass fraction of water (3) in a binary ethanol (2) + water (3) mixture.