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Solubility Behavior of Boc-L-proline in 14 Pure Solvents from 283.15 to 323.15 K
Journal of Chemical & Engineering Data ( IF 2.6 ) Pub Date : 2021-06-16 , DOI: 10.1021/acs.jced.1c00201
Jingxuan Qiu 1 , Peng Wang 1, 2 , Shen Hu 1, 2 , Hui He 1 , Haishuang Huang 1 , Yue Zhao 2, 3 , Jiaming Han 1, 2 , Haoyou Liu 1, 2 , Ying Guo 1, 2
Affiliation  

The data on the solubility of Boc-L-proline in 14 monosolvents, namely, water, ethanol, methanol, n-propyl alcohol, isopropyl alcohol, n-butyl alcohol, isobutyl alcohol, sec-butyl alcohol, acetone, acetonitrile, butanone, ethyl acetate, methyl acetate, and dichloromethane (DCM), were measured by a static gravimetric method covering the temperature range of 283.15–323.15 K. The equilibrated solid phase of Boc-L-proline in all the solvent systems was characterized via the test of X-ray powder diffraction. The solubility values in all the solvents are positively correlated with the temperature. The dissolution behavior was affected by the combined effects of four factors consisting of solvent polarity, formation of hydrogen bonds, solvent–solvent intermolecular interactions (represented by cohesive energy density), and molecular structures of solvents and the solute. Additionally, the Yaws model and modified Apelblat model were utilized to fit the data of solubility, and the values of Akaike information criterion as well as Akaike weights were calculated to evaluate the relative applicability of the two solubility models. The results show that the Yaws model could give a better correlation result for the solubility data than the model of modified Apelblat.

中文翻译:

Boc-L-脯氨酸在 283.15 至 323.15 K 范围内的 14 种纯溶剂中的溶解度行为

在14个monosolvents,即水,乙醇,甲醇,对将Boc-L-脯氨酸的溶解度数据Ñ丙基醇,异丙醇,Ñ丁基醇,异丁醇,丁醇、丙酮、乙腈、丁酮、乙酸乙酯、乙酸甲酯和二氯甲烷 (DCM) 通过静态重量法测量,温度范围为 283.15–323.15 K。 Boc-L-脯氨酸的平衡固相在所有溶剂体系均通过 X 射线粉末衍射测试进行表征。在所有溶剂中的溶解度值都与温度呈正相关。溶解行为受溶剂极性、氢键形成、溶剂-溶剂分子间相互作用(由内聚能密度表示)以及溶剂和溶质的分子结构四个因素的综合影响。此外,利用 Yaws 模型和修正的 Apelblat 模型拟合溶解度数据,并计算了赤池信息准则和赤池权重的值以评估两种溶解度模型的相对适用性。结果表明,与修正的Apelblat模型相比,Yaws模型可以给出更好的溶解度数据相关性结果。
更新日期:2021-07-08
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