UC San Diego

We have previously used two general solvation equations to correlate and to interpret a wide variety of physicochemical and biochemical properties of compounds (solutes). Application of these equations requires a knowledge of the relevant solute descriptors, viz. R ₂, the excess molar refraction, p₂ ^H , the solute dipolarity/polarizability, ∑a^H ₂ , ∑b₂ ^H , the solute overall hydrogen bond acidity and basicity, and logL ¹⁶, where L ¹⁶ is the solute gas–hexadecane partition coefficient at 298 K. We have also shown that these solute descriptors can be obtained from partition coefficients of solutes in various water–solvent and gas–solvent systems. Here, we use this approach to calculate solute descriptors for a series of 18 organofluorocarbons, classed as refrigerants, including chlorofluorocarbons, hydrochlorofluorocarbons, hydrofluorocarbons and perfluorocarbons, using Henry’s law coefficients in water and five organic solvents that we have already measured. These data have been used to calculate Ostwald solubility coefficients, log L. Gas–water and gas–solvent partitions have been then combined to give log P for partition between water and solvent. A number of log P and L values have also been taken from the Medchem97 database. There are enough data to obtain the above descriptors for the 18 organofluorocarbons, and then to estimate log P and L values in a large number of other solvents. The chemosensory properties of the organofluorocarbons are also estimated.