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Determination of Abraham model solute descriptors for xanthone based on experimental solubility measurements at 298.2 K
Physics and Chemistry of Liquids ( IF 1.2 ) Pub Date : 2019-01-16 , DOI: 10.1080/00319104.2019.1566462
Ellen Qian 1 , Grace Lee 1 , Melanie Che 1 , Lainey Wang 1 , David Yue 1 , Rachel Fischer 1 , Megan Jodray 1 , Avi Gupta 1 , Reese Neal 1 , Yuqing Liu 1 , William E. Acree 1 , Michael H. Abraham 2
Affiliation  

ABSTRACT Experimental solubilities have been determined for xanthone dissolved in 15 different alcohol solvents (ethanol, 1-propanol, 1-butanol, 1-pentanol, 1-hexanol, 1-heptanol, 1-octanol, 2-methyl-1-propanol, 3-methyl-1-butanol, 2-ethyl-1-hexanol, 2-propanol, 2-butanol, 4-methyl-2-pentanol, 2-methyl-2-propanol and 2-methyl-2-butanol), in five alkyl acetate solvents (methyl acetate, ethyl acetate, propyl acetate, butyl acetate and pentyl acetate), in diisopropyl ether and in 2-ethoxyethanol at 298.2 K. In total, solubility measurements were performed in 22 organic solvents of varying polarity and hydrogen-bonding character. Results of the experimental measurements were used to calculate the Abraham model solute descriptors for xanthone. The calculated solute descriptors describe the experimental solubility data to within 0.096 log units.

中文翻译:

基于 298.2 K 时的实验溶解度测量值确定氧杂蒽酮的 Abraham 模型溶质描述符

摘要 已测定了溶于 15 种不同醇溶剂(乙醇、1-丙醇、1-丁醇、1-戊醇、1-己醇、1-庚醇、1-辛醇、2-甲基-1-丙醇、3 -甲基-1-丁醇、2-乙基-1-己醇、2-丙醇、2-丁醇、4-甲基-2-戊醇、2-甲基-2-丙醇和2-甲基-2-丁醇),在五个乙酸烷基酯溶剂(乙酸甲酯、乙酸乙酯、乙酸丙酯、乙酸丁酯和乙酸戊酯),在二异丙醚和 2-乙氧基乙醇中,温度为 298.2 K。总共,在 22 种不同极性和氢键的有机溶剂中进行溶解度测量特点。实验测量的结果用于计算氧杂蒽酮的亚伯拉罕模型溶质描述符。计算出的溶质描述符将实验溶解度数据描述在 0.096 log 单位以内。
更新日期:2019-01-16
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