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Intermolecular forces expressed in 1,2-dichloroethane-water partition coefficients - A solvatochromic analysis

Authors
Steyaert, G.
Lisa, G.
Gaillard, Patrick
Boss, G.
Reymond, F.
Girault, H. H.
Testa, Bernard
Published in Journal of the Chemical Society Faraday Transactions. 1997, vol. 93, no. 3, p. 401-406
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-dee 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-dee 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
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STEYAERT, G. et al. Intermolecular forces expressed in 1,2-dichloroethane-water partition coefficients - A solvatochromic analysis. In: Journal of the Chemical Society Faraday Transactions, 1997, vol. 93, n° 3, p. 401-406. https://archive-ouverte.unige.ch/unige:9977

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Deposited on : 2010-08-06

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