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Estimation of octanol/water partition coefficients using LSER parameters

Advances in Environmental Research
By: , and 

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Abstract

The logarithms of octanol/water partition coefficients, logKow, were regressed against the linear solvation energy relationship (LSER) parameters for a training set of 981 diverse organic chemicals. The standard deviation for logKow was 0.49. The regression equation was then used to estimate logKow for a test of 146 chemicals which included pesticides and other diverse polyfunctional compounds. Thus the octanol/water partition coefficient may be estimated by LSER parameters without elaborate software but only moderate accuracy should be expected.

Additional publication details

Publication type Article
Publication Subtype Journal Article
Title Estimation of octanol/water partition coefficients using LSER parameters
Series title Advances in Environmental Research
Volume 2
Issue 2
Year Published 1998
Language English
Publisher Nelson & Commons Communications
Publisher location Berkeley, CA
Contributing office(s) Great Lakes Science Center
Description 5 p.
Larger Work Type Article
Larger Work Subtype Journal Article
Larger Work Title Advances in Environmental Research
First page 181
Last page 185