Solubility Measurement, Correlation, Hansen Solubility Parameters, and Solvent Effect of 4-Isopropylbenzoic Acid in Twelve Pure Solvents at Temperatures from 278.15 to 323.15 K

IF 2.4 3区工程技术 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Chemical & Engineering Data Pub Date : 2026-10-08 Epub Date: 2026-09-12 DOI:10.1021/acs.jced.6c00395

Yanmin Shen, Jigang Zhang, Wanying Wu, Xiaolu Wu, Xixian Niu, Beibei Luo, Yining Chen, Wenju Liu

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引用次数: 0

Abstract

In this study, the gravimetric method was applied to measure the solubility of 4-isopropylbenzoic acid in 12 pure solvents (2-methoxyethanol, 2-ethoxyethanol, 2-propoxyethanol, 2-butoxyethanol, methyl acetate, ethyl acetate, propyl acetate, isopropyl acetate, butyl acetate, isobutyl acetate, acetonitrile, and N,N-dimethylformamide (DMF)) at the temperature range of 278.15–323.15 K under atmospheric pressure. The experimental results showed that the solubility of 4-isopropylbenzoic acid had a significant positive correlation with temperature, and the mole fraction solubility (x) order of 4-isopropylbenzoic acid at the temperature of 298.15 K was: DMF (0.4498) > 2-propoxyethanol (0.2474) > 2-butoxyethanol (0.2382) ≈ 2-ethoxyethanol (0.2371) > 2-methoxyethanol (0.2242) > ethyl acetate (0.1801) > methyl acetate (0.1461) > isobutyl acetate (0.1391) > propyl acetate (0.1231) ≈ butyl acetate (0.1202) > isopropyl acetate (0.1114) > acetonitrile (0.02216). The experimental solubility data correlated well with calculated ones from the modified Apelblat equation, the van’t Hoff equation, and the Yaws equation. Based on the principle of similar compatibility, the law of solubility and miscibility of 4-isopropylbenzoic acid in pure solvents were discussed through Hansen solubility parameters and solvent effects for predicting solubility behavior.

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4-异丙基苯甲酸在12种纯溶剂中的溶解度测量、相关性、Hansen溶解度参数和溶剂效应

本研究采用重量法测定了4-异丙基苯甲酸在12种纯溶剂（2-甲氧基乙醇、2-乙氧基乙醇、2-丙氧基乙醇、2-丁氧基乙醇、乙酸甲酯、乙酸乙酯、乙酸丙酯、乙酸异丙酯、乙酸丁酯、乳酸异丁酯、乙腈和N，N-二甲基甲酰胺（DMF））中的溶解度，温度范围为278.15-323.15 K，常压下。实验结果表明，4-异丙基苯甲酸的溶解度与温度呈显著正相关，在298.15 K温度下，4-异丙基苯甲酸的摩尔分数溶解度(x)阶为：DMF (0.4498) >； 2-丙氧基乙醇（0.2474）>； 2-丁氧基乙醇(0.2382)≈2-乙氧基乙醇（0.2371）>； 2-甲氧基乙醇（0.2242）>；乙酸乙酯（0.1801）>；乙酸甲酯（0.1461）>；乙酸异丁基（0.1391）>；乙酸丙基(0.1231)≈乙酸丁基（0.1202）>；乙酸异丙基（0.1114）>；乙腈（0.02216）。实验溶解度数据与修正的Apelblat方程、van 't Hoff方程和Yaws方程的计算结果吻合良好。基于相似相容原理，通过Hansen溶解度参数和溶剂效应，讨论了4-异丙基苯甲酸在纯溶剂中的溶解度和混相规律，预测了溶解度行为。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Chemical & Engineering Data 工程技术-工程：化工

CiteScore

5.20

自引率

19.20%

发文量

324

审稿时长

2.2 months

期刊介绍： The Journal of Chemical & Engineering Data is a monthly journal devoted to the publication of data obtained from both experiment and computation, which are viewed as complementary. It is the only American Chemical Society journal primarily concerned with articles containing data on the phase behavior and the physical, thermodynamic, and transport properties of well-defined materials, including complex mixtures of known compositions. While environmental and biological samples are of interest, their compositions must be known and reproducible. As a result, adsorption on natural product materials does not generally fit within the scope of Journal of Chemical & Engineering Data.