Measurement and Correlation of Solubilities of 3-Methyl-2-Nitrobenzoic Acid, 3-Methyl-4-Nitrobenzoic Acid, and 5-Methyl-2-Nitrobenzoic Acid in n-Butanol Isomer Solvents,Journal of Chemical & Engineering Data

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Measurement and Correlation of Solubilities of 3-Methyl-2-Nitrobenzoic Acid, 3-Methyl-4-Nitrobenzoic Acid, and 5-Methyl-2-Nitrobenzoic Acid in n-Butanol Isomer Solvents
Journal of Chemical & Engineering Data ( IF 2.0 ) Pub Date : 2021-05-10 , DOI: 10.1021/acs.jced.1c00082
Huan Ye ₁ , Ying Yu ₁ , Sile Shi ₁ , Chi Cai ₁ , Haoran Liu ₁ , Weiping Luo ₁

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In this study, the solid–liquid equilibrium (SLE) data of 3-methyl-2-nitrobenzoic acid (3-M-2-NBA), 3-methyl-4-nitrobenzoic acid (3-M-4-NBA), and 5-methyl-2-nitrobenzoic acid (5-M-2-NBA) in n-butanol, iso-butanol, tert-butanol, and sec-butanol were determined using the method of dynamic laser at atmospheric pressure. The experimental SLE data indicate that within the temperature range studied (290.15–348.95 K), the solubilities of 3-M-2-NBA, 3-M-4-NBA, and 5-M-2-NBA in the above four solvents are proportional to the temperature. The molar fraction of solubility of the same solute in different solvents from low to high is as follows: iso-butanol < n-butanol< sec-butanol < tert-butanol. The molar fraction of solubility of the three solutes in the same solvent from low to high is as follows: 3-M-4-NBA < 3-M-2-NBA<5-M-2-NBA. The experimental data were correlated using the Apelblat model, λh model, and NRTL activity coefficient model, and the calculated solubilities agree satisfactorily with the measured results. The best model for every system was selected using the result of Akaike information criterion analysis.

中文翻译：

3-甲基-2-硝基苯甲酸、3-甲基-4-硝基苯甲酸和5-甲基-2-硝基苯甲酸在正丁醇异构体溶剂中溶解度的测量和相关性

在本研究中，3-甲基-2-硝基苯甲酸（3-M-2-NBA）、3-甲基-4-硝基苯甲酸（3-M-4-NBA）的固液平衡（SLE）数据，和 5-甲基-2-硝基苯甲酸 (5-M-2-NBA) 在正丁醇、异丁醇、叔丁醇和仲丁醇中使用动态激光法在大气压下测定。实验 SLE 数据表明，在研究的温度范围内（290.15-348.95 K），3-M-2-NBA、3-M-4-NBA 和 5-M-2-NBA 在上述四种溶剂中的溶解度与温度成正比。同一种溶质在不同溶剂中溶解度的摩尔分数由低到高分别为：异丁醇< n-丁醇<仲丁醇<叔丁醇。三种溶质在同一溶剂中溶解度的摩尔分数由低到高依次为：3-M-4-NBA < 3-M-2-NBA<5-M-2-NBA。实验数据采用Apelblat模型、λh模型和NRTL活性系数模型进行关联，计算的溶解度与实测结果吻合较好。使用 Akaike 信息准则分析的结果为每个系统选择最佳模型。

更新日期：2021-06-10

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