Solubility prediction in octanol: a technical note.
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.
College of Pharmacy, University of Arizona, Tucson, USA. sepassi@pharmacy.arizona.edu
Kia
K
Sepassi
Samuel H
SH
Yalkowsky
D020003:1-Octanol / Q000737:chemistry*; D012044:Regression Analysis; D012995:Solubility
D020003:1-Octanol