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Estimation of octanol/water partition coefficients using LSER parameters

Advances in Environmental Research

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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