Estimating temperature dependence of solubility and octanol-water partition coefficient for organic compounds using RP-HPLC.
Temperature dependence data for physical-chemical properties is increasingly required for modelling the fate of chemicals in the environment. Solubility and octanol-water partition coefficient (Kow) are among the most important parameters. A simple and fast method is presented to determine solubility and Kow of organic chemicals at different temperatures (5 degrees C, 15 degrees C, 25 degrees C, 35 degrees C) utilising a variable temperature RP-HPLC column. Correlations between capacity factors (k') and solubility and Kow were determined for some halogenated and methylated benzenes and showed that this approach could be used to predict acceptable results. New values for solubility and Kow as function of temperature for several compounds are presented.
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Department of Environmental and Landscape Sciences, DISAT, University of Milano-Bicocca, Italy. antonio.finizio@unimib.it
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D002722:Chlorobenzenes / Q000737:chemistry*; D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D005544:Forecasting; D008956:Models, Chemical; D000442:Octanols / Q000737:chemistry; D009930:Organic Chemicals; D012016:Reference Values; D012995:Solubility; D013696:Temperature; D014867:Water / Q000737:chemistry; D014874:Water Pollutants, Chemical / Q000032:analysis
D002722:Chlorobenzenes; D000442:Octanols; D009930:Organic Chemicals; D014874:Water Pollutants, Chemical; D014867:Water