Solubility Determination and Thermodynamic Analysis of 2,4-Dichlorobenzoic Acid in 10 Pure Solvents and Three Binary Solvents at 273.15-318.15 K

被引:0
|
作者
Yang, Jiyuan [1 ]
Zang, Chao [1 ]
Xu, Huijin [1 ]
Yang, Wenge [1 ]
Hu, Yonghong [1 ]
机构
[1] Nanjing Tech Univ, Coll Biotechnol & Pharmaceut Engn, Nanjing 211816, Peoples R China
基金
中国国家自然科学基金;
关键词
CRYSTAL-STRUCTURES; TEMPERATURES; BEHAVIOR; SOLVATION; WATER;
D O I
10.1021/acs.jced.4c00597
中图分类号
O414.1 [热力学];
学科分类号
摘要
2,4-Dichlorobenzoic acid (2,4-DCBA) plays a pivotal role in the synthesis of drugs and materials. Its solubility was meticulously determined using a static equilibrium method in conjunction with HPLC, across 10 individual solvents and three solvent mixtures. It can be found that 2,4-DCBA exhibited high solubility in alcohol solvents. Notably, in the acetone-acetonitrile system, solubility rose markedly with an increase in the positive solvent's fraction. In the methanol, ethanol, and acetonitrile mixtures, the solubility of 2,4-DCBA peaked when the positive solvent's molar fraction reached 0.8, suggesting that binary solvents can outperform single solvents in terms of dissolution. XRD and TG-DSC confirmed that 2,4-DCBA did not decompose, and its crystal structure did not change significantly during the experiment. The improved Apelblat model and lambda h model were used to fit and analyze the solubility data in a single pure solvent, and the CNIBS/R-K model, Jouyban-Acree model, and Sun model were used to process the solubility data in a binary solvent system. The reliability of the fitting results was confirmed by calculating the RAD and RMSD values of the thermodynamic models. Ultimately, the research utilized the KAT-LSER model to examine the impact of solvent characteristics on the solubility of 2,4-DCBA in individual solvents.
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页数:11
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