Hydrogen-Bonding Abilities for Phenols Assessed by Quantitative Analyses of Their Partition Coefficients Derived from Different Partitioning Systems

DOI Web Site Web Site PubMed 36 References Open Access

Search this article

Description

We recently proposed a new hydrogen-accepting scale, SHA, on the basis of the heat of formation calculated by the conductor-like screening model (COSMO) method. In this work, the same approach was applied to a series of compounds with a common hydrogen-donor group. Thus the SHA values for monosubstituted phenols were calculated and used for correlating their log Poct values (Poct: 1-octanol/water partition coefficient) with log PCL (PCL: chloroform/water partition coefficient) and log PE (PE: butyl ether/water partition coefficient). It was demonstrated that the SHA parameter works effectively, providing excellent correlations whose physicochemical meanings are well rationalized in terms of hydrogen-bonding characteristics of the substituents.

Journal

References(36)*help

See more

Keywords

Details 詳細情報について

Report a problem

Back to top