Abstract
In this study, we have analyzed the thermodynamic formation functions for four multi-component crystals based on the solubility data in the range of 293.15–313.15 K. The investigation was performed for the cocrystals of fluconazole (FLZ) with 4-hydroxybenzoic (4OHBA) and vanillic (VA) acids, and salts of fenbendazole (FNB) with maleic (Mal) and oxalic (Ox) acids. A database on the thermodynamic parameters of the multi-component molecular crystals (Gibbs free energy, enthalpy, and entropy) obtained in this study and borrowed from the literature was created. These parameters were determined using the experimental data on the solubility of the individual components and the product of the solubilities of the multi-component crystals at 298.15 K. A regression model was proposed to estimate the solubility product of the two-component crystals using the intrinsic solubility of the individual components as an independent variable. A detailed analysis of the database disclosed the relationship between the entropy term and the molecular volume of the multi-component crystal formation.
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