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Measurement and Correlation of Solubilities of 4-Methylbenzoic Acid and Terephthalic Acid in Eight Organic Solvents
Journal of Chemical & Engineering Data ( IF 2.6 ) Pub Date : 2021-09-13 , DOI: 10.1021/acs.jced.1c00394
Zirui Shu 1 , Sile Shi 1 , Wei Cao 1 , Wensheng Li 1 , Weiping Luo 1
Affiliation  

In this study, the solubility of 4-methylbenzoic acid and terephthalic acid in N-methylformamide, 1,3-dimethyl-2-imidazolidinone, N-methylformanilide, 2-ethyl-1-hexanol, tetrahydrofuran, cyclohexanone, acetophenone, and ethylene glycol diethyl ether was measured using the laser dynamic method under 101.3 kPa at the temperature ranging from 293.65 to 344.35 K. The measured results showed that the solubility of 4-methylbenzoic acid and terephthalic acid increased with the increasing temperature. The solubility of 4-methylbenzoic acid is greater than that of terephthalic acid in the same solvents. The modified Apelblat model and the modified nonrandom two-liquid (NRTL) activity coefficient model were utilized to correlate the solubility of 4-methylbenzoic acid and terephthalic acid in each solvent. The calculated solubility agreed satisfactorily with the measured results with 1.67/1.91% averaged relative deviation (ARD) for terephthalic acid and 0.62/0.69% for 4-methylbenzoic acid in the modified NRTL/Apelblat model, respectively. The result of the Akaike Information Criterion (AIC) analysis showed that the modified Apelblat model was better at correlating the solubility of 4-methylbenzoic acid in 1,3-dimethyl-2-imidazolidinone, ethylene glycol diethyl ether, tetrahydrofuran, acetophenone, N-methylformamide, acetophenone, and terephthalic acid in 1,3-dimethyl-2-imidazolidinone; the modified NRTL model performs better in correlating the solubility of 4-methylbenzoic acid in N-methylformanilide, N-methylformamide, 2-ethyl-1-hexanol, and terephthalic acid in 2-ethyl-1-hexanol, 2-ethyl-1-hexanol, and cyclohexanone N-methylformanilide.

中文翻译:

4-甲基苯甲酸和对苯二甲酸在八种有机溶剂中溶解度的测定及相关性

本研究中,4-甲基苯甲酸和对苯二甲酸在N-甲基甲酰胺、1,3-二甲基-2-咪唑烷酮、N-甲基甲酰苯胺、2-乙基-1-己醇、四氢呋喃、环己酮、苯乙酮和乙二醇二乙醚在101.3 kPa、293.65~344.35 K温度范围内采用激光动力学法测定。测定结果表明4-甲基苯甲酸和对苯二甲酸随温度升高而增加。4-甲基苯甲酸在相同溶剂中的溶解度大于对苯二甲酸。改进的 Apelblat 模型和改进的非随机两液体 (NRTL) 活性系数模型用于关联 4-甲基苯甲酸和对苯二甲酸在每种溶剂中的溶解度。计算的溶解度与测量结果令人满意地一致,对苯二甲酸的平均相对偏差 (ARD) 为 1.67/1.91% 和 0.62/0。在改进的 NRTL/Apelblat 模型中,4-甲基苯甲酸分别为 69%。Akaike Information Criterion (AIC) 分析结果表明,改进的 Apelblat 模型在关联 4-甲基苯甲酸在 1,3-二甲基-2-咪唑烷酮、乙二醇二乙醚、四氢呋喃、苯乙酮、N-甲基甲酰胺、苯乙酮和对苯二甲酸在 1,3-二甲基-2-咪唑烷酮中;改进的 NRTL 模型在关联 4-甲基苯甲酸在N-甲基甲酰苯胺、N-甲基甲酰胺、2-乙基-1-己醇和对苯二甲酸在 2-乙基-1-己醇、2-乙基-1-己醇和环己酮N-甲基甲酰苯胺。
更新日期:2021-10-14
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