Calculation of Abraham model solute descriptors for 2-naphthoxyacetic acid

IF 1.2 4区化学 Q4 CHEMISTRY, PHYSICAL

Physics and Chemistry of Liquids Pub Date : 2023-05-01 DOI:10.1080/00319104.2023.2207713

Darla Benavides, Laine Longacre, Advika Varadharajan, W. Acree

引用次数: 4

Abstract

ABSTRACT Mole fraction solubilities are reported for 2-naphthoxyacetic acid dissolved in three alkanol (3-methyl-1-butanol, 2-pentanol, 1-octanol), two alkyl alkanoate (tert-butyl acetate, methyl butyrate), three alkanone (butanone, 2-pentanone, cyclopentanone) and six alkoxyalcohol (2-methoxyethanol, 2-ethoxyethanol, 2-propoxyethanol, 2-isopropoxyethanol, 2-butoxyethanol, 3-methoxy-1-butanol) mono-solvents at 298.15 K. Results from our experimental measurements, combined with the published solubility data, are used to calculate the solute descriptors of the carboxylic acid solute. The calculated descriptor values reported in the current study back-calculate the observed solubility data to within an approximate standard error of 0.05 log units.

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2-萘氧乙酸亚伯拉罕模型溶质描述符的计算

报道了2-萘氧乙酸在298.15 K下溶解于3个烷醇(3-甲基-1-丁醇、2-戊醇、1-辛醇)、2个烷基烷酸酯(乙酸叔丁酯、丁酸甲酯)、3个烷酮(丁酮、2-戊酮、环戊酮)和6个烷氧醇(2-甲氧基乙醇、2-乙氧基乙醇、2-丙氧基乙醇、2-异丙氧基乙醇、2-丁氧基乙醇、3-甲氧基-1-丁醇)单溶剂中的摩尔分数溶解度。我们的实验测量结果，结合已发表的溶解度数据，用于计算羧酸溶质的溶质描述符。当前研究中报告的计算描述符值反算观察到的溶解度数据，其标准误差约为0.05 log单位。

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

Physics and Chemistry of Liquids 化学-物理：凝聚态物理

CiteScore

3.30

自引率

8.30%

发文量

审稿时长

6-12 weeks

期刊介绍： Physics and Chemistry of Liquids publishes experimental and theoretical papers, letters and reviews aimed at furthering the understanding of the liquid state. The coverage embraces the whole spectrum of liquids, from simple monatomic liquids and their mixtures, through charged liquids (e.g. ionic melts, liquid metals and their alloys, ions in aqueous solution, and metal-electrolyte systems) to molecular liquids of all kinds. It also covers quantum fluids and superfluids, such as Fermi and non-Fermi liquids, superconductors, Bose-Einstein condensates, correlated electron or spin assemblies. By publishing papers on physical aspects of the liquid state as well as those with a mainly chemical focus, Physics and Chemistry of Liquids provides a medium for the publication of interdisciplinary papers on liquids serving its broad international readership of physicists and chemists.