Quantitative structure–extraction relationships: a model for supercritical fluid extraction

Abstract

A rapid method for predicting the solubility of an analyte in supercritical carbon dioxide is reported. The method is based on determining the hydrophobic interaction and the solubility parameter from easily obtained constants. The simplicity of the method is demonstrated with respect to a group of substituted benzophenones. Hydrophobicity is derived from log P values as determined by the Hansch–Leo method, whereas the solubility parameter is determined by the method of Fedors. Multilinear regression has indicated a direct correlation between the amount of analyte extracted, expressed as the mole fraction, and the log P/ solubility parameters.