title: The solubility of liquid and solid compounds in dry octan-1-ol.
abstract: Using literature data on solubilities, equations have been constructed for the correlation of solubilities of liquids and solids in dry octanol, as log Soct (M). The best equation statistically uses Abraham descriptors together with the compound melting point. For 282 compounds the equation standard deviation is no more than 0.47 log units. If the melting point term is omitted the standard deviation rises to 0.63 log units. It is suggested that if Abraham descriptors are available, these equations represent the most satisfactory equations for the correlation and estimation of solubilities in dry octanol. If these descriptors are not available, then the simple equation of Yalkowsky can be used, although for 223 compounds the equation standard deviation rises to 0.71 log units.
authors.affiliation: Department of Chemistry, University College London, 20 Gordon Street, London WC1H OAJ, UK. Electronic address: m.h.abraham@ucl.ac.uk.
authors.forename: Michael H
authors.initials: MH
authors.lastname: Abraham
authors.affiliation: Department of Chemistry, 1155 Union Circle Drive #305070, University of North Texas, Denton, TX 76203-5017, United States.
authors.forename: William E
authors.initials: WE
authors.lastname: Acree
mesh_terms: D020003:1-Octanol / Q000737:chemistry*; D012044:Regression Analysis; D012995:Solubility; D012997:Solvents / Q000737:chemistry*; D014867:Water / Q000737:chemistry
chemical_list: D012997:Solvents; D014867:Water; D020003:1-Octanol
keywords: Abraham descriptors; Hydrogen bonding; Octan-1-ol; Solubility; Water–octanol partition coefficient