Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

ABSTRACT

Experimental molar solubility of etoricoxib (ETR) in monosolvents like glycerin, methanol (MeOH), polyethylene glycol 200 (PEG 200), polyethylene glycol 400 (PEG 400), polyethylene glycol 600 (PEG 600), propylene glycol (PG), and their aqueous binary solvent systems in various mass fraction compositions along with the solute-free and saturated solution densities were measured at 298.2 K. The resulting mole fraction solubility and density data were further correlated and predicted with the Jouyban-Acree model. Overall mean percentage deviations (OMPDs) between experimental and calculated mole fraction solubilities were 3.5%. The solute-free density of the monosolvents and their aqueous binary solvent systems were employed to train the model and then the densities of the saturated solutions were predicted. Moreover, OMPDs for back calculated solute-free densities and predicted saturated solution densities were 0.07 % and 0.40%, respectively. Thus, Jouyban-Acree model have potential use in preformulation and formulation studies during which solubility and density calculations are important physicochemical properties for design and development of new drug products in pharmaceutical industries. The simulated data could also be employed in crystalization and other related process design in the pharmaceutical/chemical industry.