Solubility of phenanthrene in binary mixtures of C 1-C 4 alcohols at 298.2 K

Abstract

Experimental solubilities are reported for phenanthrene in binary solvent mixtures of methanol + 1-propanol, methanol + 1-butanol, ethanol + 1-propanol, ethanol + 1-butanol, and 1-propanol + 1-butanol at 298.2 K. Results of these measurements were used to evaluate the prediction capability of previously developed quantitative structure-property relationships employing the solubility data in monosolvents and the mean deviations (MDs) of the models' predicted values from the measured data varied between (1.7 and 42.5)%. The overall MDs (OMDs) for the prediction methods were 2.8 (ط¢آ± 2.7)% and 14.3 (ط¢آ± 23.3)%, respectively, for water-to-solvent and gas-to-solvent coefficients. Using ab initio prediction methods, the MDs varied between (6.2 and 155.8)%, and the OMDs were 11.4 (ط¢آ± 6.5)% and 92.1 (ط¢آ± 48.0)%. ط¢آ© 2010 American Chemical Society.