Solubility measurement, correlation and computational analysis of p-Acetamidobenzoic acid in 12 pure solvents

被引：8
|
作者：
Zhang, Jiayin [1 ]
Liu, Yumin [1 ]
Shang, Zeren [1 ]
Wang, Kuo [1 ]
Han, Jianhua [1 ]
Wu, Songgu [1 ,2 ]
机构：
[1] Tianjin Univ, Sch Chem Engn & Technol, State Key Lab Chem Engn, Tianjin 300072, Peoples R China
[2] Tianjin Univ, Key Lab Modern Drug Delivery & High Efficiency, Tianjin 300072, Peoples R China
来源：
JOURNAL OF CHEMICAL THERMODYNAMICS | 2021年 / 159卷
关键词：
P-Acetamidobenzoic acid; Solubility; Model correlation; COSMO-RS analysis; THERMODYNAMIC ANALYSIS; BINARY SOLVENTS; ORGANIC-SOLVENTS; TEMPERATURES; WATER;
D O I：
10.1016/j.jct.2021.106478
中图分类号：
O414.1 [热力学];
学科分类号：
摘要：
The solubility of p-Acetamidobenzoic acid (PAABA) in 12 pure organic solvents was measured using the gravimetric method in the temperature range of 283.15 K to 323.15 K. It was discovered that the solubility curves in different solvents cross each other when the temperature increased. Besides, the modified Apelblat equation, the kh model and the NRTL model were used to fit the measured solubility data of PAABA and the modified Apelblat equation and kh model gave the minor deviation compared with the NRTL model. The underlying mechanism between PAABA and solvent molecules was revealed in light of physical properties, sigma profiles and solvation free energy analysis, based on COSMO-RS model. The results indicated that the solubility of PAABA in most alcohol solvents are related to the value of solvation free energy. These data are helpful to further study the crystallization process of PAABA. (c) 2021 Elsevier Ltd.
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页数：9
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