Thermochemistry of halogenobenzoic acids as an access to PC-SAFT solubility modeling

Absolute vapor pressures and molar sublimation enthalpies of 2-, 3-, and 4-monohalogenobenzoic acids (halogen = fluorine and iodine) were derived from transpiration measurements. Molar enthalpies of fusion were measured by DSC. Thermochemical data available in the literature were collected, evaluated, and combined with own experimental results in order to recommend sets of sublimation and fusion enthalpies. Further, the recommended data were used to estimate PC-SAFT pure-component parameters. These parameters were applied to predict the solubility of the monohalogenobenzoic acids in water at 298.15 K, yielding satisfying prediction results. This approach proved the capability of PC-SAFT to predict solid–liquid phase equilibria if precise data on sublimation pressures and fusion properties is available.