Determination of Regorafenib monohydrate (colorectal anticancer drug) solubility in supercritical CO2: Experimental and thermodynamic modeling
Gholamhossein Sodeifian, Ratna Surya Alwi, Fatemeh Sodeifian, Solmaz Amraee, Mohammadreza Rashidi Nooshabadi, Fariba Razmimanesh
Abstract
In this study, the solubilities of Regorafenib monohydrate ( REG ), a widely used as a colorectal anticancer drug, in supercritical carbon dioxide (ScCO 2 ) were measured under various pressures and temperature conditions, for the first time. The minimum value of REG in mole fraction was determined to be 3.06 × 10 −7 , while the maximum value was found to be 6.44 × 10 −6 at 338 K and 27 MPa. The experimental data for REG 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 ( SLE ) and the newly improved association models. All of the evaluated models were capable of generating suitable fits to the solubility data of REG , 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 REG drug were estimated for the first time.