Solubility of Dasatinib monohydrate (anticancer drug) in supercritical CO2: Experimental and thermodynamic modeling

Abstract

Solubility of Dasatinib monohydrate (DAS, an anticancer drug) in supercritical carbon dioxide (Sc-CO2) was examined statically at temperatures ranging from 308 to 338 K and pressures ranging from 120 to 270 bar. Based on the results, mole fractions of DAS dissolved in the Sc-CO2 were reported as 0.45 × 10−6 to 9.08 × 10−6, leading to solubilities in the range of 0.004 - 0.082 g/L, respectively. The experimental data were correlated using three types of models: (1) 20 existing empirical and semi-empirical models including 3-6 parameters on the basis of functional dependencies, (2) temperature-dependent and temperature-independent variants of the Peng-Robinson’s (PR) cubic equation of state with a conventional mixing rule, and (3) solid−liquid equilibrium models. All tested models could produce appropriate fits to the solubility data at acceptable levels of accuracy, although solid−liquid equilibrium models led to the superiority based on AARD and AICc criterion. Furthermore, solvation and sublimation enthalpies were estimated.