Solubility and Mixing Thermodynamic Properties of Triclabendazole in 14 Neat Solvents at Elevated Temperatures from 278.15 to 318.15 K,Journal of Chemical & Engineering Data

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Solubility and Mixing Thermodynamic Properties of Triclabendazole in 14 Neat Solvents at Elevated Temperatures from 278.15 to 318.15 K
Journal of Chemical & Engineering Data ( IF 2.0 ) Pub Date : 2021-08-24 , DOI: 10.1021/acs.jced.1c00466
Jiahong Chen ₁ , Renjie Xu ₂ , Peizhi Zhu ₁ , Hongkun Zhao ₁

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The triclabendazole solubility in 14 pure solvents including methanol, 1,2-dichloroethane (1,2-DCE), ethanol, n-butyl acetate, n-propanol, ethyl formate, isopropanol, n-butanol, isobutanol, ethyl acetate, acetonitrile, ethylene glycol (EG), n-propyl acetate, and n-pentyl acetate was experimentally obtained in the current research by means of the shake-flask equilibration technique at elevated temperatures from 278.15 to 318.15 K and pressure p = 101.2 kPa. With increasing temperatures, the values of the mole fraction solubility of drug triclabendazole presented a monotonic increase in tendency, and the following decreasing trend in the 14 solvents: (n-butanol, n-pentyl acetate) > n-butyl acetate > n-propyl acetate > ethyl acetate > n-propanol > ethanol > ethyl formate > isobutanol > methanol > isopropanol > 1,2-DCE > acetonitrile > EG. Two semi-empirical equations (Apelblat equation and λh equation) and two activity coefficient models (Wilson model and NRTL model) were utilized to associate the determined solubility data. The obtained maximum root-mean-square deviation and relative average deviation were, respectively, 2.31 × 10^–4 and 1.41 × 10^–2. In general, the Apelblat equation presented lower deviations compared with the other relationships for a specific pure solvent. Also, the mixing thermodynamic functions, reduced excess enthalpy, and infinite dilution activity coefficient were obtained from the Wilson model.

中文翻译：

三氯苯达唑在 278.15 至 318.15 K 高温下在 14 种纯溶剂中的溶解度和混合热力学性质

三氯苯达唑在甲醇、1,2-二氯乙烷（1,2-DCE）、乙醇、乙酸正丁酯、正丙醇、甲酸乙酯、异丙醇、正丁醇、异丁醇、乙酸乙酯、乙腈、在当前的研究中，通过摇瓶平衡技术在 278.15 至 318.15 K 和压力p = 101.2 kPa 下通过实验获得了乙二醇 (EG)、乙酸正丙酯和乙酸正戊酯。随着温度的升高，药物三氯苯达唑的摩尔分数溶解度值呈现单调增加的趋势，在14种溶剂中呈下降趋势：（n-丁醇、乙酸正戊酯)>乙酸正丁酯>乙酸正丙酯>乙酸乙酯>正丙醇>乙醇>甲酸乙酯>异丁醇>甲醇>异丙醇>1,2-DCE>乙腈>EG。两个半经验方程（Apelblat 方程和λ h方程）和两个活度系数模型（Wilson 模型和 NRTL 模型）用于关联测定的溶解度数据。得到的最大均方根偏差和相对平均偏差分别为2.31× ^10-4和1.41× ^10-2. 一般来说，与特定纯溶剂的其他关系相比，Apelblat 方程的偏差较低。此外，混合热力学函数、减少的过量焓和无限稀释活度系数是从威尔逊模型中获得的。

更新日期：2021-09-09

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