Solubility prediction in octanol: A technical note

AAPS PharmSciTech. 2006 Mar;7(1):E184-E191. doi: 10.1208/pt070126. Epub 2017 Mar 8.

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.

Keywords: activity coefficient; octanol solubility; solubility parameter.