Relationships between aqueous solubility and octanol-water partition coefficients

D. Mackay, A. Bobra, W. Y. Shiu, Samuel H Yalkowsky

Research output: Contribution to journalArticle

196 Scopus citations

Abstract

The physical chemical equations relating solubility to octanol water partition coefficient are presented and used to develop a new correlation between these quantities which includes a melting point (fugacity ratio) correction. The correlation is satisfactory for 45 organic compounds but it is not applicable to organic acids. When applied to very high molecular weight (> 290) compounds the correlation is less satisfactory; either it is believed because the data are inaccurate or because the tendency for these compounds to partition into organic phases is less than expected. This may have profound environmental implications.

Original languageEnglish (US)
Pages (from-to)701-711
Number of pages11
JournalChemosphere
Volume9
Issue number11
DOIs
Publication statusPublished - 1980
Externally publishedYes

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ASJC Scopus subject areas

  • Environmental Science(all)
  • Environmental Chemistry

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