3,4-O-异亚丙基克林霉素在十二种单溶剂中的溶解行为:溶解度、分子间相互作用和表观热力学

IF 3.1 2区 化学 Q2 CHEMISTRY, ANALYTICAL
Huanxin Li , Bo Zhu , Kenan Sun , Xin Ding
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引用次数: 0

摘要

在p = 101.3 kPa、温度为273.15 K至313.15 K的条件下,测定了3,4-O-异亚丙基克林霉素(OIC)在12种溶剂中的溶解度。在所选溶剂中,2-丁醇对 OIC 的溶解能力最好,而乙腈的溶解能力最差。所获得的数据与范特霍夫、Yaws、λh、威尔逊和非随机双液相互作用模型(NRTL)等五种模型有很好的相关性,其中 Yaws 方程的预测结果最为准确。此外,除乙腈外,真实溶剂的类导体筛选模型(COSMO-RS)对质子溶剂的计算结果优于非质子溶剂。利用 OIC 与溶剂之间的分子间相互作用研究了 OIC 的溶解机理,分析表明溶解过程受到溶剂和溶质的分子间相互作用、分子形状和大小的影响。表观热力学分析表明,OIC 在 12 种溶剂中达到平衡之前的溶解过程是自发的、内热的和焓驱动的。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

The dissolution behavior of 3,4-O-isopropylidene clindamycin in twelve mono-solvents: Solubility, intermolecular interactions, and apparent thermodynamics

The dissolution behavior of 3,4-O-isopropylidene clindamycin in twelve mono-solvents: Solubility, intermolecular interactions, and apparent thermodynamics

The solubility of 3, 4-O-isopropylidene clindamycin (OIC) was determined in twelve solvents at p = 101.3 kPa with the temperature from 273.15 K to 313.15 K. The solubility of OIC increases with the raise temperature. Among the selected solvents, 2-butanol showed the best dissolving ability for OIC, while acetonitrile showed the worst dissolving ability. The obtained data are neatly correlated with five models, including van't Hoff, Yaws, λh, Wilson, and nonrandom two-liquid interaction model (NRTL), with Yaws equation yielding the most accurate predicted results. Moreover, the Conductor-like Screening Model for Real solvents (COSMO-RS) provides better calculated results for the protic solvents than the aprotic ones except for acetonitrile. The dissolving mechanism of OIC was investigated with intermolecular interaction between OIC and solvents, and the analyses indicate that the dissolving process is affected by intermolecular interaction, molecular shape, and size of both solvents and the solute. The apparent thermodynamics analysis shows that the dissolving process of OIC before reaching equilibrium in the twelve solvents is spontaneous, endothermic, and enthalpy driven.

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来源期刊
Thermochimica Acta
Thermochimica Acta 化学-分析化学
CiteScore
6.50
自引率
8.60%
发文量
210
审稿时长
40 days
期刊介绍: Thermochimica Acta publishes original research contributions covering all aspects of thermoanalytical and calorimetric methods and their application to experimental chemistry, physics, biology and engineering. The journal aims to span the whole range from fundamental research to practical application. The journal focuses on the research that advances physical and analytical science of thermal phenomena. Therefore, the manuscripts are expected to provide important insights into the thermal phenomena studied or to propose significant improvements of analytical or computational techniques employed in thermal studies. Manuscripts that report the results of routine thermal measurements are not suitable for publication in Thermochimica Acta. The journal particularly welcomes papers from newly emerging areas as well as from the traditional strength areas: - New and improved instrumentation and methods - Thermal properties and behavior of materials - Kinetics of thermally stimulated processes
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