Correlation and prediction of solute transfer to chloroalkanes from both water and the gas phase

Abstract

Data have been compiled from the published literature on the partition coefficients of solutes and vapors into chloroform, carbon tetrachloride, dichloromethane and 1-chlorobutane from both water and from the gas phase. The logarithms of the water-to-chloroalkane (log P) and gas-to-chloroalkane partition coefficients (log K) are correlated with the Abraham solvation parameter model. The derived correlations describe the observed log P and log K values within standard deviations of about 0.13–0.20 log units. For chloroform and carbon tetrachloride, the derived correlations were validated using training set and test set analyses.