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Solubility Measurement and Thermodynamic Properties of Labetalol Hydrochloride in Different Solvents
Journal of Chemical & Engineering Data ( IF 2.0 ) Pub Date : 2021-08-18 , DOI: 10.1021/acs.jced.1c00432 Yuyuan Dong 1 , Yongli Wang 1, 2 , Xin Huang 1, 2 , Ting Wang 1, 2 , Shuangxi Li 3 , Danning Li 1 , Xiaowei Cheng 1 , Shuyu Li 1 , Han Liu 1 , Hongxun Hao 1, 2, 4
Journal of Chemical & Engineering Data ( IF 2.0 ) Pub Date : 2021-08-18 , DOI: 10.1021/acs.jced.1c00432 Yuyuan Dong 1 , Yongli Wang 1, 2 , Xin Huang 1, 2 , Ting Wang 1, 2 , Shuangxi Li 3 , Danning Li 1 , Xiaowei Cheng 1 , Shuyu Li 1 , Han Liu 1 , Hongxun Hao 1, 2, 4
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The solid–liquid equilibrium data of labetalol hydrochloride in nine pure solvents, including methanol, ethanol, 1-propanol, 2-propanol,1-butanol, isobutyl alcohol, 2-butanol, ethyl acetate, and water, and the methanol–acetonitrile binary system were measured from 288.15 to 328.15 K by a gravimetric method under atmospheric pressure. It found that the solubility data of labetalol hydrochloride increased with the rise of temperature in pure solvents and the rise of the mass fraction of methanol in the binary system. Then, the measured solubility data were correlated with several thermodynamic models, including the modified Apelblat model, Van’t Hoff model, and NRTL model. All the experimental results were in agreement with the fitted values, and the modified Apelblat model shows the best performance. Finally, the mixing thermodynamic properties including Gibbs energy, enthalpy, and entropy of the mixing processes were calculated by the NRTL model, and the results show that all mixing processes are spontaneous and entropy-driven. The experimental data and model parameters would be useful for optimizing the crystallization process of labetalol hydrochloride in the industry.
中文翻译：
盐酸拉贝洛尔在不同溶剂中的溶解度测定及热力学性质
盐酸拉贝洛尔在甲醇、乙醇、1-丙醇、2-丙醇、1-丁醇、异丁醇、2-丁醇、乙酸乙酯和水等九种纯溶剂中的固液平衡数据，以及甲醇-乙腈二元溶剂系统在大气压下通过重量法测量从 288.15 到 328.15 K。发现盐酸拉贝洛尔在纯溶剂中的溶解度数据随着温度的升高和二元体系中甲醇质量分数的增加而增加。然后，将测得的溶解度数据与几种热力学模型相关联，包括改进的 Apelblat 模型、Van't Hoff 模型和 NRTL 模型。所有的实验结果都与拟合值一致，修改后的 Apelblat 模型表现出最好的性能。最后，利用NRTL模型计算了混合过程的吉布斯能、焓、熵等混合热力学性质，结果表明所有混合过程都是自发的和熵驱动的。实验数据和模型参数对工业上优化盐酸拉贝洛尔结晶工艺有用。
更新日期：2021-09-09
中文翻译：
盐酸拉贝洛尔在不同溶剂中的溶解度测定及热力学性质
盐酸拉贝洛尔在甲醇、乙醇、1-丙醇、2-丙醇、1-丁醇、异丁醇、2-丁醇、乙酸乙酯和水等九种纯溶剂中的固液平衡数据，以及甲醇-乙腈二元溶剂系统在大气压下通过重量法测量从 288.15 到 328.15 K。发现盐酸拉贝洛尔在纯溶剂中的溶解度数据随着温度的升高和二元体系中甲醇质量分数的增加而增加。然后，将测得的溶解度数据与几种热力学模型相关联，包括改进的 Apelblat 模型、Van't Hoff 模型和 NRTL 模型。所有的实验结果都与拟合值一致，修改后的 Apelblat 模型表现出最好的性能。最后，利用NRTL模型计算了混合过程的吉布斯能、焓、熵等混合热力学性质，结果表明所有混合过程都是自发的和熵驱动的。实验数据和模型参数对工业上优化盐酸拉贝洛尔结晶工艺有用。
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