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Predicting Cosolvency. 1. Solubility Ratio and Solute log K ow

1998; American Chemical Society; Volume: 37; Issue: 11 Linguagem: Inglês

10.1021/ie980232v

1520-5045

An Li, Samuel H. Yalkowsky,

Analytical Chemistry and Chromatography

The solubility ratio of organic chemicals in an organic solvent and in water, σ, has been found to correlate with the logarithm of the octanol−water partition coefficient (log Kow) of the solutes; i.e., log σ = N + M log Kow. A total of 607 sets of thousands of solubility data were extracted from literature sources. From this database, values of N and M are obtained for 15 completely water-miscible cosolvents which are often used in pharmaceutical and environmental activities. A linear free energy relationship between σ and log Kow is theoretically derived. The deviation of the slope M from the theoretical value of unity seems to originate mainly from the differences in activity coefficients of solute in water-saturated octanol and in pure cosolvent. The effect of dissolved octanol in water in defining Kow may also influence the slope of σ ∼ log Kow regression.