Issue 3, 1997

Intermolecular forces expressed in 1,2-dichloroethane–water partition coefficients

Abstract

The molecular parameters and intermolecular forces controlling partition coefficients (P) in the 1,2-dichloroethane (DCE)–water system have been studied. A set of 44 solutes was selected to allow a regular and broad exploration of property spaces. Log P dce values were measured by the shake-flask method, centrifugal partition chromatography, and/or the pH-metric method. Linear solvation Gibbs-energy relationship (LSER) analyses showed that log P dce values are controlled by the molecular volume of the solutes and by their H-bonding donor acidity and acceptor basicity, with a contribution from the latter parameters significantly greater than in n-octanol–water partition coefficients. The DCE–water system appears as a promising alternative to the alkane–water system for obtaining partition coefficients of interest in structure–permeation relationship studies.

Article information

Article type
Paper

J. Chem. Soc., Faraday Trans., 1997,93, 401-406

Intermolecular forces expressed in 1,2-dichloroethane–water partition coefficients

G. Steyaert, G. Lisa, P. Gaillard, G. Boss, F. Reymond, G. Hubert H, P. Carrupt and B. Testa, J. Chem. Soc., Faraday Trans., 1997, 93, 401 DOI: 10.1039/A606374H

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