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