Solubility prediction in Octanol: A technical note

Kia Sepassi; Samuel H. Yalkowsky

doi:10.1208/pt070101

Solubility prediction in Octanol: A technical note

Kia Sepassi, Samuel H. Yalkowsky

Pharmacology and Toxicology

Research output: Contribution to journal › Article › peer-review

29 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 language	English (US)
Article number	26
Pages (from-to)	E1-E8
Journal	AAPS PharmSciTech
Volume	7
Issue number	1
DOIs	https://doi.org/10.1208/pt070101
State	Published - Mar 24 2006

Keywords

Activity coefficient
Octanol solubility
Solubility parameter

ASJC Scopus subject areas

Pharmaceutical Science

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title = "Solubility prediction in Octanol: A technical note",

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.",

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KW - Octanol solubility

KW - Solubility parameter

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Solubility prediction in Octanol: A technical note

Abstract

Keywords

ASJC Scopus subject areas

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