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COMPARATIVE SURVEY OF CALCULATED AND EXPERIMENTAL OCTANOL/WATER PARTITION COEFFICIENTS FOR CHLORINATED POLLUTANTS

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Author(s): Roxana Done | Georgiana Mindrila | Ioana Stanculescu

Journal: Analele Universitatii Bucuresti : Chimie
ISSN 1220-871X

Volume: XVI;
Issue: II;
Start page: 45;
Date: 2007;
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Keywords: chlorinated pollutants | octanol/water partition coefficient | computational method GPC | EPI v3.20

ABSTRACT
A comparative analysis of water/octanol partition coefficients calculated by the incremental method of Ghose, Pritwchett and Crippen (GPC) and experimentally determined values stored in the EPI Suite v3.20 was made for 37 chlorinated pollutants. The octanol/water partition coefficient may serve as descriptor for threshold limits values (TLV’s) of these pollutants which present a special interest in occupational risk evaluation.
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