Linear solvation energy relationships. 44. Parameter estimation rules that allow accurate prediction of octanol/water partition coefficients and other solubility and toxicity properties of polychlorinated biphenyls and polycylic aromatic hydrocarbons

Mortimer J. Kamlet, Ruth M. Doherty, Peter W. Carr, Donald Mackay, Michael H. Abraham, Robert W. Taft

Research output: Contribution to journalArticlepeer-review

113 Scopus citations

Abstract

Methods are presented for estimation of VI (intrinsic molar volume), π* and β of polychlorinated biphenyls and polycyclic aromatic hydrocarbons. Taken with the equation [formula omitted] reported recently by Leahy, these parameter estimation rules allow prediction of log kow with a precision that is better than the usual reproducibility of the measurements between laboratories.

Original languageEnglish (US)
Pages (from-to)503-509
Number of pages7
JournalEnvironmental Science and Technology
Volume22
Issue number5
DOIs
StatePublished - Apr 1 1988

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