Solubility of Etoricoxib in Aqueous Solutions of Glycerin, Methanol, Polyethylene Glycols 200, 400, 600, and Propylene Glycol at 298.2 K

溶解度 聚乙二醇 摩尔分数 聚乙烯醇 溶剂 水溶液 质量分数 PEG比率 化学 结晶 甲醇 材料科学 色谱法 有机化学 物理化学 经济 财务
作者
Pavan B. Rathi,Mayura Kale,Jafar Soleymani,Abolghasem Jouyban
出处
期刊:Journal of Chemical & Engineering Data [American Chemical Society]
卷期号:63 (2): 321-330 被引量:22
标识
DOI:10.1021/acs.jced.7b00709
摘要

Experimental molar solubility of etoricoxib (ETR) in monosolvents such as 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, the 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 crystallization and other related process design in the pharmaceutical/chemical industry.
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