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Solubility Determination, Modeling, and Thermodynamic Analysis of 3‑Aminophenol in Ten Monosolvents and Three Binary Mixed Solvents

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posted on 2024-01-17, 20:42 authored by Chenglou Wu, Fumin Xue, Xingzhu Wang, Wei Zhang, Yuanyue Li, Haiming Liu, Shuai Yu, Yuanxing Cai
The solubilities of 3-aminophenol in monosolvents (ethyl acetate, isopropyl acetate, n-butyl acetate, amyl acetate, 1,2-dichloroethane, trichloromethane, benzene, 1,4-dioxane, tetrahydrofuran, and acetonitrile) and binary solvent mixtures (1,4-dioxane + water, tetrahydrofuran + water, and acetonitrile + water) were determined by a static gravimetric method at temperatures ranging from 283.15 to 328.15 K under atmospheric pressure. The solubility of 3-aminophenol in all solvent systems is positively correlated with temperature. In monosolvents, the solubility order of 3-aminophenol was as follows: THF > 1,4-dioxane > acetonitrile > ethyl acetate > isopropyl acetate > n-butyl acetate > amyl acetate > 1,2-dichloroethane > trichloromethane > benzene. The maximum solubility value occurred in 1,4-dioxane (x1 = 0.3700 mol·mol–1, T = 328.15 K), and the minimum solubility value occurred in benzene (x1 = 0.0005505 mol·mol–1, T = 288.15 K). In general, the solubility of 3-aminophenol in 1,4-dioxane + water and THF + water is greater than that in acetonitrile + water. There is a cosolvency phenomenon of 3-aminophenol in the solvents of 1,4-dioxane + water and acetonitrile + water. The experimental solubility data were correlated by the modified Apelblat model, the Yaws model, the λh model, the Sun model, the modified Jouyban–Acree model, and the Wilson model. The modified Apelblat model best fitted the experimental data among all of the selected models in monosolvents (with relative average deviation (RAD) and root-mean-square deviation (RMSD) less than 0.0156 and 0.001212, respectively) and binary solvent mixtures (with RAD and RMSD less than 0.0102 and 0.001408, respectively). Based on the experimental data of the solubility of 3-aminophenol in mono and binary solvents, the Wilson model was used to calculate the dissolution properties (ΔdisH, ΔdisS, and ΔdisG). The results indicate that the dissolution process of 3-aminophenol is endothermic, entropy-increasing, and spontaneous. All of the selected models for both mono and binary solvents provide satisfactory correlation results.

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