Estimating temperature dependence of solubility and octanol-water partition coefficient for organic compounds using RP-HPLC

Temperature dependence data for physical-chemical properties is increasingl y required for modelling the fate of chemicals in the environment. Solubili ty and octanol-water partition coefficient (K-ow) are among the most import ant parameters. A simple and fast method is presented to determine solubili ty and K., of organic chemicals at different temperatures (5 degreesC, 15 d egreesC 25 degreesC, 35 degreesC) utilising a variable temperature RP-HPLC column. Correlations between capacity factors (k(i)) and solubility and K-o w were determined for some halogenated and methylated benzenes and showed t hat this approach could be used to predict acceptable results. New values f or solubility and K-ow as function of temperature for several compounds are presented. (C) 2001 Elsevier Science Ltd. All rights reserved.