The Dissolution Behavior of 6-Methylcoumarin in 11 Mono-Solvents: Determination, Correlation, Intermolecular Interactions, and Thermodynamics

IF 1.3 4区化学 Q4 CHEMISTRY, PHYSICAL

Journal of Solution Chemistry Pub Date : 2026-04-05 DOI:10.1007/s10953-026-01581-5

Chen Zhuo, Zhu He, Shi Junlei, Shen Chengxin, Yan Shun, Li Huanxin, Liu Xueguo

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引用次数: 0

Abstract

The dissolution behavior of 6-methylcoumarin in eleven mono-solvents, namely methanol, 1-propanol, 2-propanol, 1-butanol, 2-butanol, isobutanol, 2-methyl-2-butanol, methyl acetate, ethyl acetate, n-propyl acetate and isopropyl acetate, was investigated with the static equilibrium method. The studied temperature ranged from 278.15 to 318.15 K at p = 100 kPa. The results demonstrated that the solubility of 6-methylcoumarin increased with the temperature increasing. Among the selected solvents, methyl acetate exhibited the highest solubility for 6-methylcoumarin, whereas 2-propanol had the lowest. At the same time, the experimental solubility data were fitted with van’t Hoff, λh, Wilson, and NRTL models, with the NRTL model providing the most accurate predicted results. Additionally, the mixing thermodynamics were calculated by using the NRTL model, which revealed that the mixing process is spontaneous, endothermic and entropy-driven. Finally, the dissolution mechanism of 6-methylcoumarin in the selected solvents was preliminarily analyzed from the perspectives of the molecular structural characteristics of the solute, the solute–solvent intermolecular interactions, and the physicochemical properties of the solvent.

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6-甲基香豆素在11种单溶剂中的溶解行为：测定、相关性、分子间相互作用和热力学

采用静态平衡法研究了6-甲基香豆素在甲醇、1-丙醇、2-丙醇、1-丁醇、2-丁醇、异丁醇、2-甲基-2-丁醇、乙酸甲酯、乙酸乙酯、乙酸正丙酯和乙酸异丙酯等11种单溶剂中的溶解行为。在p = 100 kPa时，温度范围为278.15 ~ 318.15 K。结果表明，6-甲基香豆素的溶解度随温度的升高而增大。在选择的溶剂中，乙酸甲酯对6-甲基香豆素的溶解度最高，而2-丙醇的溶解度最低。同时，用van 't Hoff、λh、Wilson和NRTL模型对实验溶解度数据进行拟合，其中NRTL模型预测结果最准确。利用NRTL模型计算了混合热力学，表明混合过程是自发的、吸热的、熵驱动的。最后，从溶质的分子结构特征、溶质-溶剂分子间相互作用、溶剂的理化性质等方面初步分析了6-甲基香豆素在所选溶剂中的溶解机理。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Solution Chemistry 化学-物理化学

CiteScore

2.30

自引率

0.00%

发文量

审稿时长

3-8 weeks

期刊介绍： Journal of Solution Chemistry offers a forum for research on the physical chemistry of liquid solutions in such fields as physical chemistry, chemical physics, molecular biology, statistical mechanics, biochemistry, and biophysics. The emphasis is on papers in which the solvent plays a dominant rather than incidental role. Featured topics include experimental investigations of the dielectric, spectroscopic, thermodynamic, transport, or relaxation properties of both electrolytes and nonelectrolytes in liquid solutions.