Universal Model Based on the Mobile Order and Disorder Theory for Predicting Lipophilicity and Partition Coefficients in All Mutually Immiscible Two-Phase Liquid Systems

The quantitative thermodynamic development of the mobile order and disorder theory in H-bonded liquids has been extended in order to predict partition coefficients. The model enables “a priori” estimation of the partition coefficient (log P) of neutral solutes, not only in the conventional 1-octanol...

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Veröffentlicht in:	Journal of Chemical Information and Computer Sciences 2000-05, Vol.40 (3), p.681-700
1. Verfasser:	Ruelle, Paul
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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