Determination of Abraham model solute descriptors for monomeric 3,4,5-trimethoxybenzoic acid from experimental solubility data in organic solvents measured at 298.2 K
Determination of Abraham model solute descriptors for monomeric 3,4,5-trimethoxybenzoic acid from experimental solubility data in organic solvents measured at 298.2 K
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根据 298.2 K 下测量的有机溶剂中的实验溶解度数据确定单体 3,4,5-三甲氧基苯甲酸的亚伯拉罕模型溶质描述符
DOI：
10.1080/00319104.2017.1346097
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发表时间：
2018
影响因子：
1.2
通讯作者：
M. Abraham
中科院分区：
文献类型：
--
作者：
Erin Hart;Alex Klein;O. Zha;Anisha Wadawadigi;E. Qian;Sarah Dunn;Janna Herron;Ketsia Kankolongo;Shy’an Ryan;W. Acree;M. Abraham
摘要 采用光谱方法测定 3,4,5-三甲氧基苯甲酸在 298.2 K 下溶解在碳酸亚丙酯、19 醇、4 烷基醚、5 烷基链烷酸酯和 4 烷氧基醇溶剂中的实验溶解度。据信 3,4,5-三甲氧基苯甲酸在所研究的 34 种有机溶剂中主要以单体形式存在。测量的 29 种有机溶剂中的溶解度用于计算 3,4,5-三甲氧基苯甲酸单体形式的亚伯拉罕模型溶质描述符。其余五种溶剂中的溶解度不能用于溶质描述符计算，因为亚伯拉罕模型方程系数不适用于这些溶剂。导出的溶质描述符将观察到的溶解度数据反算到 0.10 个对数单位以内。
ABSTRACT Spectroscopic methods are employed to determine the experimental solubility of 3,4,5-trimethoxybenzoic acid dissolved in propylene carbonate, in 19 alcohol, in 4 alkyl ether, in 5 alkyl alkanoate and in 4 alkoxyalcohol solvents at 298.2 K. 3,4,5-Trimethoxybenzoic acid is believed to exist predominantly in monomeric form in each of the 34 organic solvents studied. The measured solubilities in 29 of the organic solvents are used to calculate the Abraham model solute descriptors for the monomeric form of 3,4,5-trimethoxybenzoic acid. Solubilities in the remaining five solvents could not be used in the solute descriptor computations because Abraham model equation coefficients are not available for these solvents. The derived solute descriptors back-calculated the observed solubility data to within 0.10 log units.