Equilibrium Solubility of Loxoprofen in 14 Monosolvents: Determination, Correlation, and Hansen Solubility Parameter

IF 2 3区工程技术 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Chemical & Engineering Data Pub Date : 2025-02-05 DOI:10.1021/acs.jced.4c0056710.1021/acs.jced.4c00567

Yanmin Shen, Shuting Pan, Yuqi Gao, Jing Wang, Ruyue He, Wanying Wu, Guanghui Wu, Jinbing Zhang, Caihua Yu, Yuxin Wang, Han Wang* and Wenju Liu*,

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Abstract

The mole fraction solubility of loxoprofen was investigated by the gravimetric static method in 14 monosolvents of methanol, ethanol, n-propanol, iso-propanol, methyl acetate, ethyl acetate, n-propyl acetate, iso-propyl acetate, iso-amyl acetate, iso-butyl acetate, butyl acetate, ethyl orthosilicate, acetonitrile, and 1,4-dioxane in the temperature range of 283.15–328.15 K under 0.1 MPa. Experiment results demonstrated that loxoprofen solubility increased positively with increasing temperature. Among 14 monosolvents, the mole fraction solubility of loxoprofen at 298.15 K followed this order: 1,4-dioxane (0.2143) > methanol (0.1185) > iso-propanol (0.09662) ≈ ethanol (0.09431) > n-propanol (0.09045) > methyl acetate (0.08949) > ethyl acetate (0.08475) > n-propyl acetate (0.06314) > iso-propyl acetate (0.0560) > butyl acetate (0.05270) > iso-butyl acetate (0.0451) ≈ iso-amyl acetate (0.04484) > acetonitrile (0.04193) > ethyl orthosilicate (0.03648). The four usually thermodynamic models including the modified Apelblat model, the Yaws model, the Van’t Hoff model, and the λh model were applied to correlate solubility data, and the Yaws model obtained a relatively accurate correlation result by values of RAD and RMSD. Hansen solubility parameters of solvents were quoted to explain the dissolving behavior of loxoprofen in 14 monosolvents.

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采用重量静态法研究了洛索洛芬在甲醇、乙醇、正丙醇、异丙醇、醋酸甲酯、醋酸乙酯、醋酸正丙酯、醋酸异丙酯、醋酸异戊酯、醋酸异丁酯、醋酸丁酯、正硅酸乙酯、乙腈和 1,4-二氧六环等 14 种单溶剂中的摩尔分数溶解度。15-328.15 K、0.1 MPa 的条件下进行。实验结果表明，随着温度的升高，洛索洛芬的溶解度呈正增长。在 14 种单溶剂中，洛索洛芬在 298.15 K 温度下的摩尔分数溶解度依次为1,4-二氧六环（0.2143）；甲醇（0.1185）；异丙醇（0.09662）≈乙醇（0.09431）；正丙醇（0.09045）；醋酸甲酯（0.08949）；醋酸乙酯（0.08475）；醋酸正丙酯（0.06314) > 乙酸异丙酯 (0.0560) > 乙酸丁酯 (0.05270) > 乙酸异丁酯 (0.0451) ≈ 乙酸异戊酯 (0.04484) > 乙腈 (0.04193) > 正硅酸乙酯 (0.03648)。应用改良阿佩尔布拉特模型、Yaws模型、Van't Hoff模型和λh模型等四种通常的热力学模型对溶解度数据进行了相关分析，其中Yaws模型通过RAD值和RMSD值得到了相对准确的相关结果。引用溶剂的汉森溶解度参数解释了洛索洛芬在 14 种单溶剂中的溶解行为。

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来源期刊

Journal of Chemical & Engineering Data 工程技术-工程：化工

CiteScore

5.20

自引率

19.20%

发文量

324

审稿时长

2.2 months

期刊介绍： The Journal of Chemical & Engineering Data is a monthly journal devoted to the publication of data obtained from both experiment and computation, which are viewed as complementary. It is the only American Chemical Society journal primarily concerned with articles containing data on the phase behavior and the physical, thermodynamic, and transport properties of well-defined materials, including complex mixtures of known compositions. While environmental and biological samples are of interest, their compositions must be known and reproducible. As a result, adsorption on natural product materials does not generally fit within the scope of Journal of Chemical & Engineering Data.