Solubility prediction in Octanol: A technical note

Kia Sepassi, Samuel H. Yalkowsky

Research output: Contribution to journalArticlepeer-review

24 Scopus citations

Abstract

The purpose of this work was to derive an equation for the rapid estimation of octanol solubilities of organic compounds. Solubilities ranging over 4 orders of magnitude were predicted with an average absolute error of 0.39 logarithmic units using melting point alone. The greatest error in prediction occurred for strongly bonded compounds.

Original languageEnglish (US)
Article number26
Pages (from-to)E1-E8
JournalAAPS PharmSciTech
Volume7
Issue number1
DOIs
StatePublished - Mar 24 2006

Keywords

  • Activity coefficient
  • Octanol solubility
  • Solubility parameter

ASJC Scopus subject areas

  • Pharmaceutical Science

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