Determination of Regorafenib monohydrate (colorectal anticancer drug) solubility in supercritical CO: Experimental and thermodynamic modeling.

In this study, the solubilities of (), a widely used as a colorectal anticancer drug, in supercritical carbon dioxide (ScCO) were measured under various pressures and temperature conditions, for the first time. The minimum value of in mole fraction was determined to be 3.06×10, while the maximum value was found to be 6.44×10 at 338 K and 27 MPa. The experimental data for were correlated through the utilization of two types of models: (1) a set of 25 existing empirical and semi-empirical models that incorporated 3-8 parameters according to functional dependencies, (2) a model that relied on solid-liquid equilibrium () and the newly improved association models. All of the evaluated models were capable of generating suitable fits to the solubility data of , however, the average absolute relative deviation (AARD) of Gordillo et al. model (AARD=13.2%) and Reddy et al. model (AARD=13.5%) indicated their superiority based on AARD%. Furthermore, solvation and sublimation enthalpies of drug were estimated for the first time.