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<p>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&#xa0;K at <i>p</i> = 100&#xa0;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, <i>λh</i>, 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.</p>

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

  • 期刊论文

  • 发表日期：

    2026年4月5日

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

摘要

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.