阿奇霉素二水合物在水-有机溶剂中溶解度及三元相图测定

doi:10.11949/j.issn.0438-1157.20180910

化工学报 ›› 2019, Vol. 70 ›› Issue (3): 817-829.DOI: 10.11949/j.issn.0438-1157.20180910

阿奇霉素二水合物在水-有机溶剂中溶解度及三元相图测定

曹小雪¹(),吉绍长²,匡雯婕¹,廖安平¹,蓝平¹,张金彦¹()

1. 广西民族大学化学化工学院，广西多糖材料与改性重点实验室，广西高校化学与生物转化过程新技术重点实验室，广西南宁 530006
2. 广西烟草专卖局，广西南宁 530006

收稿日期:2018-08-13 修回日期:2018-12-18 出版日期:2019-03-05 发布日期:2019-03-05
通讯作者: 张金彦
作者简介:<named-content content-type="corresp-name">曹小雪</named-content>（1992—），女，硕士，<email>cxx818221@163.com</email>|张金彦（1984—），女，博士，副教授，<email>zjy_03@126.com</email>
基金资助:
国家自然科学基金项目(21606056);广西自然科学基金项目(2017GXNSFAA198091, 2014GXNSFBA118037);广西生物多糖分离纯化及改性研究平台建设项目(桂科ZY18076005);广西民族大学相思湖创新团队项目(2016);广西民族大学研究生教育创新计划项目(gxun-chxzs2017128)

Solubility and ternary phase diagram of azithromycin dihydrate in water-organic solvent

Xiaoxue CAO¹(),Shaochang JI²,Wenjie KUANG¹,Anping LIAO¹,Ping LAN¹,Jinyan ZHANG¹()

1. Guangxi Key Laboratory for Polysaccharide Materials and their Modification，Guangxi University for Nationalities, Key Laboratory of Chemical and Biological Transformation Process of Guangxi Higher Education Institutes, College of Chemistry and Chemical Engineering, Guangxi University for Nationalities, Nanning 530006, Guangxi, China
2. Guangxi Tobacco Monopoly Bureau, Nanning 530006, Guangxi, China

Received:2018-08-13 Revised:2018-12-18 Online:2019-03-05 Published:2019-03-05
Contact: Jinyan ZHANG

摘要/Abstract

摘要：

采用静态法测定了293.15～323.15 K范围内，阿奇霉素二水合物在丙酮-水和异丙醇-水混合溶剂中的溶解度，并研究阿奇霉素在293.15、298.15、303.15及308.15 K温度下丙酮-水混合溶剂中转晶水活度，根据溶解度特性绘制丙酮-阿奇霉素-水三元相图，溶解度数据用Apelblat方程、λh方程和van’t Hoff方程进行关联。结果表明，阿奇霉素溶解度随着有机溶剂体积分数和温度的升高而增加，转晶水活度随温度的升高增大，阿奇霉素一水二水共存区域随温度的升高减小，Apelblat方程拟合效果更好，R²≥0.988。

关键词: 阿奇霉素二水合物, 溶解度, 转晶水活度, Apelblat 方程, 三元相图

Abstract:

The solubility of azithromycinin water+isopropanol and propanone+water solvent mixtures were measured at temperatures from 293.15 K to 323.15 K by an analytical method. The water activity of transformation at 293.15, 298.15, 303.15 and 308.15 K were measured, and the phase diagram of alcohol- azithromycin -water at that temperature was obtained through solubility property. The solubility data were correlated by the modified Apelblat equation, λh equation and van’t Hoff equation. The results showed that the solubility of azithromycin dihydrate obviously increased with the increase of temperature and the volume fraction of isopropanol and propanone, and the water activity of transformation increased and the coexist area decreased with the increase of temperature. The modified Apelblat equation was the best choice in the correlation of the solubility data.

Key words: azithromycin dihydrate, solubility, water activity of transformation, Apelblat equation, ternary phase diagram

中图分类号:

TQ 026.5

曹小雪, 吉绍长, 匡雯婕, 廖安平, 蓝平, 张金彦. 阿奇霉素二水合物在水-有机溶剂中溶解度及三元相图测定[J]. 化工学报, 2019, 70(3): 817-829.

Xiaoxue CAO, Shaochang JI, Wenjie KUANG, Anping LIAO, Ping LAN, Jinyan ZHANG. Solubility and ternary phase diagram of azithromycin dihydrate in water-organic solvent[J]. CIESC Journal, 2019, 70(3): 817-829.

图/表 12

参考文献 36

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T/K	x^exp①	x^cal^,^Apel②	x^cal^,λh^③	x^cal^,^{van’t Hoff④}	x^exp?x^cal^,^Apel	x^exp?x^cal^{, λh}	x^exp?x^cal^,^{van’t Hoff}
pure propanone
323.15	6.30×10^?2±4.97×10^?4	6.37×10^?2	5.80×10^?2	5.85×10^?2	?6.22×10^?4	5.04×10^?3	4.53×10^?3
318.15	5.60×10^?2±6.57×10^?4	5.45×10^?2	5.33×10^?2	5.42×10^?2	1.52×10^?3	2.73×10^?3	1.74×10^?3
313.15	4.74×10^?2±8.95×10^?5	4.79×10^?2	4.91×10^?2	5.02×10^?2	?4.69×10^?4	?1.75×10^?3	?2.77×10^?3
308.15	4.25×10^?2±4.30×10^?5	4.33×10^?2	4.55×10^?2	4.63×10^?2	?8.12×10^?4	?3.03×10^?3	?3.80×10^?3
303.15	4.05×10^?2±6.57×10^?5	4.04×10^?2	4.23×10^?2	4.26×10^?2	6.97×10^?5	?1.85×10^?3	?2.13×10^?3
298.15	3.93×10^?2±1.08×10^?4	3.89×10^?2	3.95×10^?2	3.91×10^?2	3.64×10^?4	?1.50×10^?4	2.19×10^?4
293.15	3.88×10^?2±8.60×10^?5	3.89×10^?2	3.69×10^?2	3.58×10^?2	?5.80×10^?5	1.94×10^?3	3.06×10^?3
V_propanone∶V_water =9∶1
323.15	2.45×10^?2±8.95×10^?5	2.48×10^?2	2.46×10^?2	2.46×10^?2	?3.19×10^?4	?1.86×10^?4	?1.73×10^?4
318.15	2.17×10^?2±5.67×10^?5	2.12×10^?2	2.09×10^?2	2.11×10^?2	4.99×10^?4	7.70×10^?4	5.67×10^?4
313.15	1.82×10^?2±4.30×10^?5	1.80×10^?2	1.77×10^?2	1.80×10^?2	2.27×10^?4	4.91×10^?4	2.42×10^?5
308.15	1.51×10^?2±1.08×10^?4	1.52×10^?2	1.50×10^?2	1.52×10^?2	?1.58×10^?4	1.28×10^?5	?1.76×10^?4
303.15	1.23×10^?2±1.38×10^?4	1.28×10^?2	1.28×10^?2	1.28×10^?2	?5.29×10^?4	?4.82×10^?4	?5.67×10^?4
298.15	1.06×10^?2±8.95×10^?5	1.07×10^?2	1.08×10^?2	1.08×10^?2	?1.01×10^?4	?1.89×10^?4	?1.48×10^?4
293.15	9.32×10^?3±8.60×10^?6	8.93×10^?3	9.14×10^?3	8.98×10^?3	3.92×10^?4	1.84×10^?4	3.44×10^?4
V_propanone∶V_water =8∶2
323.15	9.13×10^?3±1.38×10^?5	9.23×10^?3	9.06×10^?3	9.08×10^?3	?9.87×10^?5	7.00×10^?5	5.27×10^?5
318.15	8.09×10^?3±3.82×10^?5	7.92×10^?3	7.81×10^?3	7.91×10^?3	1.72×10^?4	2.82×10^?4	1.81×10^?4
313.15	6.95×10^?3±2.45×10^?5	6.80×10^?3	6.75×10^?3	6.86×10^?3	1.54×10^?4	2.05×10^?4	9.22×10^?5
308.15	5.76×10^?3±1.31×10^?5	5.84×10^?3	5.84×10^?3	5.92×10^?3	?7.66×10^?5	?7.52×10^?5	?1.58×10^?4
303.15	4.85×10^?3±1.97×10^?5	5.02×10^?3	5.05×10^?3	5.09×10^?3	?1.73×10^?4	?2.02×10^?4	?2.37×10^?4
298.15	4.28×10^?3±2.21×10^?5	4.33×10^?3	4.37×10^?3	4.35×10^?3	?4.95×10^?5	?9.42×10^?5	?7.25×10^?5
293.15	3.89×10^?3±1.94×10^?5	3.73×10^?3	3.79×10^?3	3.70×10^?3	1.56×10^?4	1.04×10^?4	1.88×10^?4
V_propanone∶V_water =7∶3
323.15	3.89×10^?3±1.97×10^?5	3.90×10^?3	3.38×10^?3	3.56×10^?3	?1.77×10^?5	5.10×10^?4	3.27×10^?4
318.15	3.08×10^?3±2.21×10^?5	3.04×10^?3	2.87×10^?3	3.02×10^?3	4.64×10^?5	2.06×10^?4	6.09×10^?5
313.15	2.40×10^?3±1.38×10^?5	2.42×10^?3	2.45×10^?3	2.55×10^?3	?2.32×10^?5	?4.80×10^?5	?1.50×10^?4
308.15	1.98×10^?3±1.08×10^?5	1.99×10^?3	2.09×10^?3	2.14×10^?3	?1.40×10^?5	?1.07×10^?4	?1.64×10^?4
303.15	1.70×10^?3±1.94×10^?5	1.69×10^?3	1.78×10^?3	1.79×10^?3	1.59×10^?5	?7.92×10^?5	?8.46×10^?5
298.15	1.45×10^?3±1.14×10^?5	1.48×10^?3	1.52×10^?3	1.48×10^?3	?2.68×10^?5	?6.58×10^?5	?3.34×10^?5
293.15	1.36×10^?3±6.57×10^?6	1.34×10^?3	1.29×10^?3	1.22×10^?3	1.80×10^?5	7.03×10^?5	1.34×10^?4
V_propanone∶V_water =6∶4
323.15	1.01×10^?3±1.31×10^?5	1.01×10^?3	9.28×10^?4	9.40×10^?4	?4.58×10^?6	8.24×10^?5	6.54×10^?5
318.15	8.54×10^?4±1.14×10^?6	8.36×10^?4	8.15×10^?4	8.33×10^?4	1.80×10^?5	3.89×10^?5	2.09×10^?5
313.15	6.86×10^?4±1.51×10^?6	7.07×10^?4	7.19×10^?4	7.36×10^?4	?2.09×10^?5	?3.29×10^?5	?4.98×10^?5
308.15	6.15×10^?4±1.55×10^?6	6.11×10^?4	6.36×10^?4	6.47×10^?4	3.92×10^?6	?2.04×10^?5	?3.18×10^?5
303.15	5.42×10^?4±1.31×10^?6	5.42×10^?4	5.63×10^?4	5.67×10^?4	?4.83×10^?8	?2.16×10^?5	?2.51×10^?6
298.15	5.01×10^?4±2.82×10^?6	4.93×10^?4	5.00×10^?4	4.94×10^?4	8.53×10^?6	1.21×10^?6	6.85×10^?6
293.15	4.56×10^?4±1.29×10^?6	4.60×10^?4	4.44×10^?4	4.29×10^?4	?4.96×10^?6	1.15×10^?5	2.65×10^?5
V_propanone∶V_water =5∶5
323.15	3.72×10^?4±2.03×10^?6	3.72×10^?4	3.15×10^?4	3.31×10^?4	?1.68×10^?7	5.69×10^?5	4.10×10^?5
318.15	2.89×10^?4±1.63×10^?6	2.90×10^?4	2.75×10^?4	2.88×10^?4	?6.44×10^?7	1.47×10^?5	8.97×10^?7
313.15	2.37×10^?4±1.63×10^?6	2.35×10^?4	2.41×10^?4	2.51×10^?4	2.55×10^?6	?3.27×10^?6	?1.34×10^?5
308.15	1.97×10^?4±1.55×10^?6	1.97×10^?4	2.11×10^?4	2.17×10^?4	?9.36×10^?7	?1.45×10^?5	?2.026×10^?5
303.15	1.72×10^?4±8.60×10^?7	1.73×10^?4	1.86×10^?4	1.87×10^?4	?1.58×10^?6	?1.39×10^?5	?1.49×10^?5
298.15	1.59×10^?4±1.74×10^?6	1.59×10^?4	1.63×10^?4	1.60×10^?4	1.38×10^?7	?4.27×10^?6	?6.94×10^?7
293.15	1.53×10^?4±2.48×10^?7	1.53×10^?4	1.44×10^?4	1.36×10^?4	5.78×10^?7	9.66×10^?6	1.74×10^?5
V_propanone∶V_water =4∶6
323.15	1.00×10^?4±1.97×10^?6	9.97×10^?5	8.67×10^?5	8.90×10^?5	5.28×10^?7	1.35×10^?5	1.12×10^?5
318.15	8.01×10^?5±1.38×10^?7	8.04×10^?5	7.75×10^?5	8.00×10^?5	?3.38×10^?7	2.62×10^?6	8.44×10^?8
313.15	6.56×10^?5±1.79×10^?7	6.73×10^?5	6.95×10^?5	7.16×10^?5	?1.70×10^?6	?3.93×10^?6	?6.09×10^?6
308.15	5.97×10^?5±1.55×10^?7	5.84×10^?5	6.26×10^?5	6.39×10^?5	1.24×10^?6	?2.87×10^?6	?4.25×10^?6
303.15	5.24×10^?5±1.51×10^?7	5.29×10^?5	5.65×10^?5	5.68×10^?5	?4.59×10^?7	?4.04×10^?6	?4.39×10^?6
298.15	5.22×10^?5±1.14×10^?7	5.00×10^?5	5.11×10^?5	5.03×10^?5	2.19×10^?6	1.09×10^?6	1.88×10^?6
293.15	4.82×10^?5±9.93×10^?8	4.95×10^?5	4.63×10^?5	4.44×10^?5	?1.39×10^?6	1.82×10^?6	3.79×10^?6
V_propanone∶V_water =3∶7
323.15	2.31×10^?5±1.08×10^?6	2.29×10^?5	2.16×10^?5	2.14×10^?5	1.79×10^?7	1.47×10^?6	1.64×10^?6
318.15	2.04×10^?5±1.31×10^?7	2.06×10^?5	2.04×10^?5	2.05×10^?5	?1.97×10^?7	?3.23×10^?9	?1.29×10^?7
313.15	1.87×10^?5±1.31×10^?7	1.89×10^?5	1.94×10^?5	1.96×10^?5	?2.46×10^?7	?6.96×10^?7	?9.51×10^?7
308.15	1.79×10^?5±1.55×10^?7	1.78×10^?5	1.85×10^?5	1.88×10^?5	1.04×10^?7	?5.96×10^?7	?8.48×10^?7
303.15	1.74×10^?5±8.95×10^?8	1.72×10^?5	1.78×10^?5	1.79×10^?5	1.92×10^?7	?3.96×10^?7	?5.39×10^?7
298.15	1.71×10^?5±6.57×10^?8	1.70×10^?5	1.71×10^?5	1.70×10^?5	1.40×10^?7	2.78×10^?8	7.87×10^?8
293.15	1.71×10^?5±8.60×10^?8	1.73×10^?5	1.65×10^?5	1.62×10^?5	?1.66×10^?7	5.91×10^?7	9.05×10^?7
V_isopropanol∶V_water =9∶1
323.15	3.85×10^?2±8.95×10^?5	3.85×10^?2	3.65×10^?2	3.68×10^?2	?8.20×10^?6	2.03×10^?3	1.73×10^?3
318.15	3.20×10^?2±1.08×10^?4	3.19×10^?2	3.13×10^?2	3.18×10^?2	7.44×10^?5	6.31×10^?4	1.32×10^?4
313.15	2.66×10^?2±1.31×10^?4	2.67×10^?2	2.69×10^?2	2.74×10^?2	?7.93×10^?5	?3.08×10^?4	?7.91×10^?4
308.15	2.27×10^?2±1.08×10^?4	2.27×10^?2	2.32×10^?2	2.35×10^?2	2.15×10^?5	?5.03×10^?4	?8.33×10^?4
303.15	1.92×10^?2±7.45×10^?5	1.95×10^?2	2.00×10^?2	2.01×10^?2	?3.18×10^?4	?7.88×10^?4	?8.96×10^?4
298.15	1.76×10^?2±6.57×10^?5	1.70×10^?2	1.70×10^?2	1.72×10^?2	5.85×10^?4	4.28×10^?4	5.55×10^?4
293.15	1.41×10^?2±1.14×10^?4	1.43×10^?2	1.44×10^?2	1.47×10^?2	?2.69×10^?4	6.11×10^?5	4.20×10^?4
V_isopropanol∶V_water =8∶2
323.15	2.22×10^?2±1.38×10^?4	2.22×10^?2	1.86×10^?2	1.95×10^?2	?3.92×10^?4	3.62×10^?3	2.70×10^?3
318.15	1.76×10^?2±1.51×10^?3	1.73×10^?2	1.64×10^?2	1.72×10^?2	2.57×10^?4	1.17×10^?3	3.65×10^?4
313.15	1.36×10^?2±1.08×10^?4	1.41×10^?2	1.46×10^?2	1.52×10^?2	?4.81×10^?4	?9.50×10^?4	?1.55×10^?3
308.15	1.23×10^?2±1.97×10^?3	1.20×10^?2	1.29×10^?2	1.33×10^?2	3.13×10^?4	?6.59×10^?4	?1.00×10^?3
303.15	1.05×10^?2±4.30×10^?5	1.07×10^?2	1.15×10^?2	1.16×10^?2	?1.73×10^?4	?1.04×10^?3	?1.10×10^?3
298.15	1.03×10^?2±8.95×10^?5	1.00×10^?2	1.03×10^?2	1.01×10^?2	2.49×10^?4	?3.99×10^?5	1.84×10^?4
293.15	9.79×10^?3±1.51×10^?5	9.91×10^?3	9.20×10^?3	8.71×10^?3	?1.22×10^?4	5.87×10^?4	1.08×10^?3
V_isopropanol∶V_water =7∶3
323.15	1.10×10^?2±1.08×10^?4	1.10×10^?2	1.04×10^?2	1.04×10^?2	?1.68×10^?5	6.30×10^?4	5.73×10^?4
318.15	9.41×10^?3±1.38×10^?5	9.27×10^?3	9.11×10^?2	9.25×10^?2	1.38×10^?4	3.05×10^?4	1.58×10^?4
313.15	7.68×10^?3±1.55×10^?5	7.94×10^?3	8.04×10^?3	8.20×10^?3	?2.58×10^?4	?3.57×10^?4	?5.12×10^?4
308.15	7.01×10^?3±1.51×10^?5	6.92×10^?3	7.11×10^?3	7.23×10^?3	9.45×10^?5	?1.04×10^?4	?2.19×10^?5
303.15	6.21×10^?3±1.74×10^?5	6.13×10^?3	6.31×10^?3	6.36×10^?3	7.60×10^?5	?9.85×10^?5	?1.44×10^?4
298.15	5.55×10^?3±1.94×10^?5	5.55×10^?3	5.60×10^?3	5.56×10^?3	8.56×10^?6	?5.23×10^?5	?6.62×10^?6
293.15	5.08×10^?3±2.16×10^?5	5.12×10^?3	4.98×10^?3	4.84×10^?3	?4.03×10^?5	1.01×10^?4	2.33×10^?4
V_isopropanol∶V_water =6∶4
323.15	5.67×10^?3±1.08×10^?5	5.62×10^?3	4.90×10^?3	5.04×10^?3	5.11×10^?5	7.70×10^?4	6.25×10^?4
318.15	4.43×10^?3±1.31×10^?5	4.48×10^?3	4.31×10^?3	4.46×10^?3	?4.80×10^?5	1.18×10^?4	?2.79×10^?5
313.15	3.53×10^?3±1.51×10^?5	3.70×10^?3	3.81×10^?3	3.93×10^?3	?1.64×10^?4	?2.79×10^?4	?3.96×10^?4
308.15	3.30×10^?3±1.79×10^?5	3.16×10^?3	3.37×10^?3	3.45×10^?3	1.36×10^?4	?7.41×10^?5	?1.49×10^?4
303.15	2.91×10^?3±1.51×10^?5	2.81×10^?3	2.99×10^?3	3.01×10^?3	9.60×10^?5	?8.49×10^?5	?1.04×10^?4
298.15	2.58×10^?3±1.55×10^?5	2.60×10^?3	2.66×10^?3	2.62×10^?3	?2.30×10^?5	?8.23×10^?5	?3.73×10^?5
293.15	2.48×10^?3±1.31×10^?5	2.52×10^?3	2.37×10^?3	2.27×10^?3	?4.28×10^?5	1.11×10^?4	2.12×10^?4
V_isopropanol∶V_water =5∶5
323.15	2.13×10^?3±1.74×10^?5	2.13×10^?3	1.98×10^?3	2.00×10^?3	?4.81×10^?6	1.49×10^?4	1.27×10^?4
318.15	1.80×10^?3±1.51×10^?5	1.77×10^?3	1.73×10^?3	1.76×10^?3	2.93×10^?5	7.04×10^?5	3.44×10^?5
313.15	1.45×10^?3±1.08×10^?5	1.49×10^?3	1.52×10^?3	1.55×10^?3	?4.12×10^?5	?6.50×10^?5	?9.56×10^?5
308.15	1.27×10^?3±1.74×10^?5	1.29×10^?3	1.33×10^?3	1.35×10^?3	?1.37×10^?5	?6.03×10^?5	?8.07×10^?5
303.15	1.18×10^?3±6.57×10^?6	1.13×10^?3	1.17×10^?3	1.18×10^?3	4.61×10^?5	9.94×10^?6	?3.04×10^?7
298.15	1.01×10^?3±8.95×10^?6	1.02×10^?3	1.03×10^?3	1.02×10^?3	?7.33×10^?6	?2.02×10^?5	?1.00×10^?5
293.15	9.28×10^?4±1.08×10^?6	9.40×10^?4	9.08×10^?4	8.79×10^?4	?8.76×10^?6	2.04×10^?5	4.92×10^?5
V_isopropanol∶V_water =4∶6
323.15	6.83×10^?4±1.51×10^?6	6.78×10^?4	6.50×10^?3	6.45×10^?3	5.46×10^?6	3.36×10^?5	3.84×10^?5
318.15	5.57×10^?4±6.57×10^?7	5.61×10^?4	5.58×10^?3	5.61×10^?3	?4.22×10^?6	?8.89×10^?7	?3.86×10^?6
313.15	4.59×10^?4±1.14×10^?6	4.71×10^?4	4.80×10^?4	4.85×10^?4	?1.20×10^?5	?2.10×10^?5	?2.64×10^?5
308.15	3.99×10^?4±1.31×10^?6	4.01×10^?4	4.14×10^?4	4.18×10^?4	?1.75×10^?6	?1.42×10^?5	?1.87×10^?5
303.15	3.63×10^?4±6.57×10^?7	3.47×10^?4	3.57×10^?4	3.58×10^?4	1.56×10^?5	6.19×10^?6	4.36×10^?6
298.15	3.17×10^?4±1.08×10^?6	3.06×10^?4	3.08×10^?4	3.06×10^?4	1.09×10^?5	9.03×10^?6	1.08×10^?5
293.15	2.60×10^?4±1.55×10^?6	2.74×10^?4	2.65×10^?4	2.59×10^?4	?1.38×10^?5	?4.65×10^?6	1.05×10^?6
V_isopropanol∶V_water =3∶7
323.15	1.20×10^?4±1.74×10^?7	1.20×10^?4	1.07×10^?4	1.10×10^?4	?1.28×10^?7	1.34×10^?5	9.59×10^?6
318.15	9.54×10^?5±1.51×10^?7	9.53×10^?5	9.14×10^?5	9.49×10^?5	1.19×10^?7	4.02×10^?6	4.95×10^?7
313.15	7.80×10^?5±6.57×10^?7	7.75×10^?5	7.85×10^?5	8.12×10^?5	5.54×10^?7	?5.23×10^?7	?3.19×10^?6
308.15	6.42×10^?5±1.74×10^?7	6.47×10^?5	6.76×10^?5	6.91×10^?5	?5.14×10^?7	?3.46×10^?6	?4.99×10^?6
303.15	5.47×10^?5±8.95×10^?8	5.55×10^?5	5.82×10^?5	5.86×10^?5	?7.66×10^?7	?3.49×10^?6	?3.80×10^?6
298.15	5.01×10^?5±1.31×10^?7	4.91×10^?5	5.02×10^?5	4.93×10^?5	1.00×10^?6	?4.43×10^?8	8.08×10^?7
293.15	4.46×10^?5±1.38×10^?7	4.49×10^?5	4.32×10^?5	4.13×10^?5	?2.72×10^?7	1.43×10^?6	3.32×10^?6

T/K	x^exp①	x^cal^,^Apel②	x^cal^,λh^③	x^cal^,^{van’t Hoff④}	x^exp?x^cal^,^Apel	x^exp?x^cal^{, λh}	x^exp?x^cal^,^{van’t Hoff}
pure propanone
323.15	6.30×10^?2±4.97×10^?4	6.37×10^?2	5.80×10^?2	5.85×10^?2	?6.22×10^?4	5.04×10^?3	4.53×10^?3
318.15	5.60×10^?2±6.57×10^?4	5.45×10^?2	5.33×10^?2	5.42×10^?2	1.52×10^?3	2.73×10^?3	1.74×10^?3
313.15	4.74×10^?2±8.95×10^?5	4.79×10^?2	4.91×10^?2	5.02×10^?2	?4.69×10^?4	?1.75×10^?3	?2.77×10^?3
308.15	4.25×10^?2±4.30×10^?5	4.33×10^?2	4.55×10^?2	4.63×10^?2	?8.12×10^?4	?3.03×10^?3	?3.80×10^?3
303.15	4.05×10^?2±6.57×10^?5	4.04×10^?2	4.23×10^?2	4.26×10^?2	6.97×10^?5	?1.85×10^?3	?2.13×10^?3
298.15	3.93×10^?2±1.08×10^?4	3.89×10^?2	3.95×10^?2	3.91×10^?2	3.64×10^?4	?1.50×10^?4	2.19×10^?4
293.15	3.88×10^?2±8.60×10^?5	3.89×10^?2	3.69×10^?2	3.58×10^?2	?5.80×10^?5	1.94×10^?3	3.06×10^?3
V_propanone∶V_water =9∶1
323.15	2.45×10^?2±8.95×10^?5	2.48×10^?2	2.46×10^?2	2.46×10^?2	?3.19×10^?4	?1.86×10^?4	?1.73×10^?4
318.15	2.17×10^?2±5.67×10^?5	2.12×10^?2	2.09×10^?2	2.11×10^?2	4.99×10^?4	7.70×10^?4	5.67×10^?4
313.15	1.82×10^?2±4.30×10^?5	1.80×10^?2	1.77×10^?2	1.80×10^?2	2.27×10^?4	4.91×10^?4	2.42×10^?5
308.15	1.51×10^?2±1.08×10^?4	1.52×10^?2	1.50×10^?2	1.52×10^?2	?1.58×10^?4	1.28×10^?5	?1.76×10^?4
303.15	1.23×10^?2±1.38×10^?4	1.28×10^?2	1.28×10^?2	1.28×10^?2	?5.29×10^?4	?4.82×10^?4	?5.67×10^?4
298.15	1.06×10^?2±8.95×10^?5	1.07×10^?2	1.08×10^?2	1.08×10^?2	?1.01×10^?4	?1.89×10^?4	?1.48×10^?4
293.15	9.32×10^?3±8.60×10^?6	8.93×10^?3	9.14×10^?3	8.98×10^?3	3.92×10^?4	1.84×10^?4	3.44×10^?4
V_propanone∶V_water =8∶2
323.15	9.13×10^?3±1.38×10^?5	9.23×10^?3	9.06×10^?3	9.08×10^?3	?9.87×10^?5	7.00×10^?5	5.27×10^?5
318.15	8.09×10^?3±3.82×10^?5	7.92×10^?3	7.81×10^?3	7.91×10^?3	1.72×10^?4	2.82×10^?4	1.81×10^?4
313.15	6.95×10^?3±2.45×10^?5	6.80×10^?3	6.75×10^?3	6.86×10^?3	1.54×10^?4	2.05×10^?4	9.22×10^?5
308.15	5.76×10^?3±1.31×10^?5	5.84×10^?3	5.84×10^?3	5.92×10^?3	?7.66×10^?5	?7.52×10^?5	?1.58×10^?4
303.15	4.85×10^?3±1.97×10^?5	5.02×10^?3	5.05×10^?3	5.09×10^?3	?1.73×10^?4	?2.02×10^?4	?2.37×10^?4
298.15	4.28×10^?3±2.21×10^?5	4.33×10^?3	4.37×10^?3	4.35×10^?3	?4.95×10^?5	?9.42×10^?5	?7.25×10^?5
293.15	3.89×10^?3±1.94×10^?5	3.73×10^?3	3.79×10^?3	3.70×10^?3	1.56×10^?4	1.04×10^?4	1.88×10^?4
V_propanone∶V_water =7∶3
323.15	3.89×10^?3±1.97×10^?5	3.90×10^?3	3.38×10^?3	3.56×10^?3	?1.77×10^?5	5.10×10^?4	3.27×10^?4
318.15	3.08×10^?3±2.21×10^?5	3.04×10^?3	2.87×10^?3	3.02×10^?3	4.64×10^?5	2.06×10^?4	6.09×10^?5
313.15	2.40×10^?3±1.38×10^?5	2.42×10^?3	2.45×10^?3	2.55×10^?3	?2.32×10^?5	?4.80×10^?5	?1.50×10^?4
308.15	1.98×10^?3±1.08×10^?5	1.99×10^?3	2.09×10^?3	2.14×10^?3	?1.40×10^?5	?1.07×10^?4	?1.64×10^?4
303.15	1.70×10^?3±1.94×10^?5	1.69×10^?3	1.78×10^?3	1.79×10^?3	1.59×10^?5	?7.92×10^?5	?8.46×10^?5
298.15	1.45×10^?3±1.14×10^?5	1.48×10^?3	1.52×10^?3	1.48×10^?3	?2.68×10^?5	?6.58×10^?5	?3.34×10^?5
293.15	1.36×10^?3±6.57×10^?6	1.34×10^?3	1.29×10^?3	1.22×10^?3	1.80×10^?5	7.03×10^?5	1.34×10^?4
V_propanone∶V_water =6∶4
323.15	1.01×10^?3±1.31×10^?5	1.01×10^?3	9.28×10^?4	9.40×10^?4	?4.58×10^?6	8.24×10^?5	6.54×10^?5
318.15	8.54×10^?4±1.14×10^?6	8.36×10^?4	8.15×10^?4	8.33×10^?4	1.80×10^?5	3.89×10^?5	2.09×10^?5
313.15	6.86×10^?4±1.51×10^?6	7.07×10^?4	7.19×10^?4	7.36×10^?4	?2.09×10^?5	?3.29×10^?5	?4.98×10^?5
308.15	6.15×10^?4±1.55×10^?6	6.11×10^?4	6.36×10^?4	6.47×10^?4	3.92×10^?6	?2.04×10^?5	?3.18×10^?5
303.15	5.42×10^?4±1.31×10^?6	5.42×10^?4	5.63×10^?4	5.67×10^?4	?4.83×10^?8	?2.16×10^?5	?2.51×10^?6
298.15	5.01×10^?4±2.82×10^?6	4.93×10^?4	5.00×10^?4	4.94×10^?4	8.53×10^?6	1.21×10^?6	6.85×10^?6
293.15	4.56×10^?4±1.29×10^?6	4.60×10^?4	4.44×10^?4	4.29×10^?4	?4.96×10^?6	1.15×10^?5	2.65×10^?5
V_propanone∶V_water =5∶5
323.15	3.72×10^?4±2.03×10^?6	3.72×10^?4	3.15×10^?4	3.31×10^?4	?1.68×10^?7	5.69×10^?5	4.10×10^?5
318.15	2.89×10^?4±1.63×10^?6	2.90×10^?4	2.75×10^?4	2.88×10^?4	?6.44×10^?7	1.47×10^?5	8.97×10^?7
313.15	2.37×10^?4±1.63×10^?6	2.35×10^?4	2.41×10^?4	2.51×10^?4	2.55×10^?6	?3.27×10^?6	?1.34×10^?5
308.15	1.97×10^?4±1.55×10^?6	1.97×10^?4	2.11×10^?4	2.17×10^?4	?9.36×10^?7	?1.45×10^?5	?2.026×10^?5
303.15	1.72×10^?4±8.60×10^?7	1.73×10^?4	1.86×10^?4	1.87×10^?4	?1.58×10^?6	?1.39×10^?5	?1.49×10^?5
298.15	1.59×10^?4±1.74×10^?6	1.59×10^?4	1.63×10^?4	1.60×10^?4	1.38×10^?7	?4.27×10^?6	?6.94×10^?7
293.15	1.53×10^?4±2.48×10^?7	1.53×10^?4	1.44×10^?4	1.36×10^?4	5.78×10^?7	9.66×10^?6	1.74×10^?5
V_propanone∶V_water =4∶6
323.15	1.00×10^?4±1.97×10^?6	9.97×10^?5	8.67×10^?5	8.90×10^?5	5.28×10^?7	1.35×10^?5	1.12×10^?5
318.15	8.01×10^?5±1.38×10^?7	8.04×10^?5	7.75×10^?5	8.00×10^?5	?3.38×10^?7	2.62×10^?6	8.44×10^?8
313.15	6.56×10^?5±1.79×10^?7	6.73×10^?5	6.95×10^?5	7.16×10^?5	?1.70×10^?6	?3.93×10^?6	?6.09×10^?6
308.15	5.97×10^?5±1.55×10^?7	5.84×10^?5	6.26×10^?5	6.39×10^?5	1.24×10^?6	?2.87×10^?6	?4.25×10^?6
303.15	5.24×10^?5±1.51×10^?7	5.29×10^?5	5.65×10^?5	5.68×10^?5	?4.59×10^?7	?4.04×10^?6	?4.39×10^?6
298.15	5.22×10^?5±1.14×10^?7	5.00×10^?5	5.11×10^?5	5.03×10^?5	2.19×10^?6	1.09×10^?6	1.88×10^?6
293.15	4.82×10^?5±9.93×10^?8	4.95×10^?5	4.63×10^?5	4.44×10^?5	?1.39×10^?6	1.82×10^?6	3.79×10^?6
V_propanone∶V_water =3∶7
323.15	2.31×10^?5±1.08×10^?6	2.29×10^?5	2.16×10^?5	2.14×10^?5	1.79×10^?7	1.47×10^?6	1.64×10^?6
318.15	2.04×10^?5±1.31×10^?7	2.06×10^?5	2.04×10^?5	2.05×10^?5	?1.97×10^?7	?3.23×10^?9	?1.29×10^?7
313.15	1.87×10^?5±1.31×10^?7	1.89×10^?5	1.94×10^?5	1.96×10^?5	?2.46×10^?7	?6.96×10^?7	?9.51×10^?7
308.15	1.79×10^?5±1.55×10^?7	1.78×10^?5	1.85×10^?5	1.88×10^?5	1.04×10^?7	?5.96×10^?7	?8.48×10^?7
303.15	1.74×10^?5±8.95×10^?8	1.72×10^?5	1.78×10^?5	1.79×10^?5	1.92×10^?7	?3.96×10^?7	?5.39×10^?7
298.15	1.71×10^?5±6.57×10^?8	1.70×10^?5	1.71×10^?5	1.70×10^?5	1.40×10^?7	2.78×10^?8	7.87×10^?8
293.15	1.71×10^?5±8.60×10^?8	1.73×10^?5	1.65×10^?5	1.62×10^?5	?1.66×10^?7	5.91×10^?7	9.05×10^?7
V_isopropanol∶V_water =9∶1
323.15	3.85×10^?2±8.95×10^?5	3.85×10^?2	3.65×10^?2	3.68×10^?2	?8.20×10^?6	2.03×10^?3	1.73×10^?3
318.15	3.20×10^?2±1.08×10^?4	3.19×10^?2	3.13×10^?2	3.18×10^?2	7.44×10^?5	6.31×10^?4	1.32×10^?4
313.15	2.66×10^?2±1.31×10^?4	2.67×10^?2	2.69×10^?2	2.74×10^?2	?7.93×10^?5	?3.08×10^?4	?7.91×10^?4
308.15	2.27×10^?2±1.08×10^?4	2.27×10^?2	2.32×10^?2	2.35×10^?2	2.15×10^?5	?5.03×10^?4	?8.33×10^?4
303.15	1.92×10^?2±7.45×10^?5	1.95×10^?2	2.00×10^?2	2.01×10^?2	?3.18×10^?4	?7.88×10^?4	?8.96×10^?4
298.15	1.76×10^?2±6.57×10^?5	1.70×10^?2	1.70×10^?2	1.72×10^?2	5.85×10^?4	4.28×10^?4	5.55×10^?4
293.15	1.41×10^?2±1.14×10^?4	1.43×10^?2	1.44×10^?2	1.47×10^?2	?2.69×10^?4	6.11×10^?5	4.20×10^?4
V_isopropanol∶V_water =8∶2
323.15	2.22×10^?2±1.38×10^?4	2.22×10^?2	1.86×10^?2	1.95×10^?2	?3.92×10^?4	3.62×10^?3	2.70×10^?3
318.15	1.76×10^?2±1.51×10^?3	1.73×10^?2	1.64×10^?2	1.72×10^?2	2.57×10^?4	1.17×10^?3	3.65×10^?4
313.15	1.36×10^?2±1.08×10^?4	1.41×10^?2	1.46×10^?2	1.52×10^?2	?4.81×10^?4	?9.50×10^?4	?1.55×10^?3
308.15	1.23×10^?2±1.97×10^?3	1.20×10^?2	1.29×10^?2	1.33×10^?2	3.13×10^?4	?6.59×10^?4	?1.00×10^?3
303.15	1.05×10^?2±4.30×10^?5	1.07×10^?2	1.15×10^?2	1.16×10^?2	?1.73×10^?4	?1.04×10^?3	?1.10×10^?3
298.15	1.03×10^?2±8.95×10^?5	1.00×10^?2	1.03×10^?2	1.01×10^?2	2.49×10^?4	?3.99×10^?5	1.84×10^?4
293.15	9.79×10^?3±1.51×10^?5	9.91×10^?3	9.20×10^?3	8.71×10^?3	?1.22×10^?4	5.87×10^?4	1.08×10^?3
V_isopropanol∶V_water =7∶3
323.15	1.10×10^?2±1.08×10^?4	1.10×10^?2	1.04×10^?2	1.04×10^?2	?1.68×10^?5	6.30×10^?4	5.73×10^?4
318.15	9.41×10^?3±1.38×10^?5	9.27×10^?3	9.11×10^?2	9.25×10^?2	1.38×10^?4	3.05×10^?4	1.58×10^?4
313.15	7.68×10^?3±1.55×10^?5	7.94×10^?3	8.04×10^?3	8.20×10^?3	?2.58×10^?4	?3.57×10^?4	?5.12×10^?4
308.15	7.01×10^?3±1.51×10^?5	6.92×10^?3	7.11×10^?3	7.23×10^?3	9.45×10^?5	?1.04×10^?4	?2.19×10^?5
303.15	6.21×10^?3±1.74×10^?5	6.13×10^?3	6.31×10^?3	6.36×10^?3	7.60×10^?5	?9.85×10^?5	?1.44×10^?4
298.15	5.55×10^?3±1.94×10^?5	5.55×10^?3	5.60×10^?3	5.56×10^?3	8.56×10^?6	?5.23×10^?5	?6.62×10^?6
293.15	5.08×10^?3±2.16×10^?5	5.12×10^?3	4.98×10^?3	4.84×10^?3	?4.03×10^?5	1.01×10^?4	2.33×10^?4
V_isopropanol∶V_water =6∶4
323.15	5.67×10^?3±1.08×10^?5	5.62×10^?3	4.90×10^?3	5.04×10^?3	5.11×10^?5	7.70×10^?4	6.25×10^?4
318.15	4.43×10^?3±1.31×10^?5	4.48×10^?3	4.31×10^?3	4.46×10^?3	?4.80×10^?5	1.18×10^?4	?2.79×10^?5
313.15	3.53×10^?3±1.51×10^?5	3.70×10^?3	3.81×10^?3	3.93×10^?3	?1.64×10^?4	?2.79×10^?4	?3.96×10^?4
308.15	3.30×10^?3±1.79×10^?5	3.16×10^?3	3.37×10^?3	3.45×10^?3	1.36×10^?4	?7.41×10^?5	?1.49×10^?4
303.15	2.91×10^?3±1.51×10^?5	2.81×10^?3	2.99×10^?3	3.01×10^?3	9.60×10^?5	?8.49×10^?5	?1.04×10^?4
298.15	2.58×10^?3±1.55×10^?5	2.60×10^?3	2.66×10^?3	2.62×10^?3	?2.30×10^?5	?8.23×10^?5	?3.73×10^?5
293.15	2.48×10^?3±1.31×10^?5	2.52×10^?3	2.37×10^?3	2.27×10^?3	?4.28×10^?5	1.11×10^?4	2.12×10^?4
V_isopropanol∶V_water =5∶5
323.15	2.13×10^?3±1.74×10^?5	2.13×10^?3	1.98×10^?3	2.00×10^?3	?4.81×10^?6	1.49×10^?4	1.27×10^?4
318.15	1.80×10^?3±1.51×10^?5	1.77×10^?3	1.73×10^?3	1.76×10^?3	2.93×10^?5	7.04×10^?5	3.44×10^?5
313.15	1.45×10^?3±1.08×10^?5	1.49×10^?3	1.52×10^?3	1.55×10^?3	?4.12×10^?5	?6.50×10^?5	?9.56×10^?5
308.15	1.27×10^?3±1.74×10^?5	1.29×10^?3	1.33×10^?3	1.35×10^?3	?1.37×10^?5	?6.03×10^?5	?8.07×10^?5
303.15	1.18×10^?3±6.57×10^?6	1.13×10^?3	1.17×10^?3	1.18×10^?3	4.61×10^?5	9.94×10^?6	?3.04×10^?7
298.15	1.01×10^?3±8.95×10^?6	1.02×10^?3	1.03×10^?3	1.02×10^?3	?7.33×10^?6	?2.02×10^?5	?1.00×10^?5
293.15	9.28×10^?4±1.08×10^?6	9.40×10^?4	9.08×10^?4	8.79×10^?4	?8.76×10^?6	2.04×10^?5	4.92×10^?5
V_isopropanol∶V_water =4∶6
323.15	6.83×10^?4±1.51×10^?6	6.78×10^?4	6.50×10^?3	6.45×10^?3	5.46×10^?6	3.36×10^?5	3.84×10^?5
318.15	5.57×10^?4±6.57×10^?7	5.61×10^?4	5.58×10^?3	5.61×10^?3	?4.22×10^?6	?8.89×10^?7	?3.86×10^?6
313.15	4.59×10^?4±1.14×10^?6	4.71×10^?4	4.80×10^?4	4.85×10^?4	?1.20×10^?5	?2.10×10^?5	?2.64×10^?5
308.15	3.99×10^?4±1.31×10^?6	4.01×10^?4	4.14×10^?4	4.18×10^?4	?1.75×10^?6	?1.42×10^?5	?1.87×10^?5
303.15	3.63×10^?4±6.57×10^?7	3.47×10^?4	3.57×10^?4	3.58×10^?4	1.56×10^?5	6.19×10^?6	4.36×10^?6
298.15	3.17×10^?4±1.08×10^?6	3.06×10^?4	3.08×10^?4	3.06×10^?4	1.09×10^?5	9.03×10^?6	1.08×10^?5
293.15	2.60×10^?4±1.55×10^?6	2.74×10^?4	2.65×10^?4	2.59×10^?4	?1.38×10^?5	?4.65×10^?6	1.05×10^?6
V_isopropanol∶V_water =3∶7
323.15	1.20×10^?4±1.74×10^?7	1.20×10^?4	1.07×10^?4	1.10×10^?4	?1.28×10^?7	1.34×10^?5	9.59×10^?6
318.15	9.54×10^?5±1.51×10^?7	9.53×10^?5	9.14×10^?5	9.49×10^?5	1.19×10^?7	4.02×10^?6	4.95×10^?7
313.15	7.80×10^?5±6.57×10^?7	7.75×10^?5	7.85×10^?5	8.12×10^?5	5.54×10^?7	?5.23×10^?7	?3.19×10^?6
308.15	6.42×10^?5±1.74×10^?7	6.47×10^?5	6.76×10^?5	6.91×10^?5	?5.14×10^?7	?3.46×10^?6	?4.99×10^?6
303.15	5.47×10^?5±8.95×10^?8	5.55×10^?5	5.82×10^?5	5.86×10^?5	?7.66×10^?7	?3.49×10^?6	?3.80×10^?6
298.15	5.01×10^?5±1.31×10^?7	4.91×10^?5	5.02×10^?5	4.93×10^?5	1.00×10^?6	?4.43×10^?8	8.08×10^?7
293.15	4.46×10^?5±1.38×10^?7	4.49×10^?5	4.32×10^?5	4.13×10^?5	?2.72×10^?7	1.43×10^?6	3.32×10^?6

Solvent	A	B	C	R²	RMSD
pure propanone	?853.54	37556.35	127.13	0.98938	7.30×10^?4
V_propanone∶V_water =9∶1	?4.07	?2748.99	1.54	0.99336	3.53×10^?4
V_propanone∶V_water =8∶2	?146.87	4043.72	22.44	0.99216	1.34×10^?4
V_propanone∶V_water =7∶3	?925.44	39151.89	138.24	0.9987	2.53×10^?5
V_propanone∶V_water =6∶4	?727.25	30801.54	108.17	0.99441	1.13×10^?5
V_propanone∶V_water =5∶5	?1192.13	51726.91	177.25	0.99959	1.23×10^?6
V_propanone∶V_water =4∶6	?1146.30	50085.74	169.97	0.9916	1.30×10^?6
V_propanone∶V_water =3∶7	?672.68	29498.44	98.77	0.98846	1.80×10^?7
V_isopropanol∶V_water =9∶1	?468.35	18717.44	70.47	0.99846	2.75×10^?4
V_isopropanol∶V_water =8∶2	?1326.90	58294.94	197.76	0.99403	2.68×10^?4
V_isopropanol∶V_water =7∶3	?560.95	23363.02	83.79	0.99437	1.21×10^?4
V_isopropanol∶V_water =6∶4	?1096.67	47723.42	163.34	0.98819	9.39×10^?5
V_isopropanol∶V_water =5∶5	?648.65	27139.73	96.66	0.99335	2.68×10^?5
V_isopropanol∶V_water =4∶6	?532.31	21545.71	79.32	0.99127	1.03×10^?5
V_isopropanol∶V_water =3∶7	?855.79	36039.91	127.24	0.99924	5.69×10^?7

Solvent	A	B	C	R²	RMSD
pure propanone	?853.54	37556.35	127.13	0.98938	7.30×10^?4
V_propanone∶V_water =9∶1	?4.07	?2748.99	1.54	0.99336	3.53×10^?4
V_propanone∶V_water =8∶2	?146.87	4043.72	22.44	0.99216	1.34×10^?4
V_propanone∶V_water =7∶3	?925.44	39151.89	138.24	0.9987	2.53×10^?5
V_propanone∶V_water =6∶4	?727.25	30801.54	108.17	0.99441	1.13×10^?5
V_propanone∶V_water =5∶5	?1192.13	51726.91	177.25	0.99959	1.23×10^?6
V_propanone∶V_water =4∶6	?1146.30	50085.74	169.97	0.9916	1.30×10^?6
V_propanone∶V_water =3∶7	?672.68	29498.44	98.77	0.98846	1.80×10^?7
V_isopropanol∶V_water =9∶1	?468.35	18717.44	70.47	0.99846	2.75×10^?4
V_isopropanol∶V_water =8∶2	?1326.90	58294.94	197.76	0.99403	2.68×10^?4
V_isopropanol∶V_water =7∶3	?560.95	23363.02	83.79	0.99437	1.21×10^?4
V_isopropanol∶V_water =6∶4	?1096.67	47723.42	163.34	0.98819	9.39×10^?5
V_isopropanol∶V_water =5∶5	?648.65	27139.73	96.66	0.99335	2.68×10^?5
V_isopropanol∶V_water =4∶6	?532.31	21545.71	79.32	0.99127	1.03×10^?5
V_isopropanol∶V_water =3∶7	?855.79	36039.91	127.24	0.99924	5.69×10^?7

Solvent	λ	h	R²	RMSD
pure popanone	?2.43×10^?3	32.83	0.88488	2.73×10^?3
V_propanone∶V_water =9∶1	6.79×10^?2	38.07	0.99294	4.09×10^?4
V_propanone∶V_water =8∶2	1.63×10^?2	124.31	0.98809	1.66×10^?4
V_propanone∶V_water =7∶3	8.05×10^?4	299.20	0.9634	2.18×10^?4
V_propanone∶V_water =6∶4	9.30×10^?4	1477.93	0.97255	3.85×10^?5
V_propanone∶V_water =5∶5	3.90×10^?4	4091.55	0.92475	2.38×10^?5
V_propanone∶V_water =4∶6	4.40×10^?5	18470.32	0.91344	5.76×10^?6
V_propanone∶V_water =3∶7	?1.24×10^?5	136172.26	0.866	7.08×10^?7
V_isopropanol∶V_water =9∶1	8.00×10^?2	28.12	0.9909	9.00×10^?4
V_isopropanol∶V_water =8∶2	1.66×10^?2	75.09	0.89362	1.57×10^?3
V_isopropanol∶V_water =7∶3	1.05×10^?2	131.24	0.98553	3.05×10^?4
V_isopropanol∶V_water =6∶4	4.74×10^?2	281.78	0.94538	3.20×10^?4
V_isopropanol∶V_water =5∶5	2.44×10^?2	650.79	0.997974	7.17×10^?5
V_isopropanol∶V_water =4∶6	1.24×10^?2	1704.61	0.98869	1.65×10^?5
V_isopropanol∶V_water =3∶7	2.08×10^?4	10316.64	0.97205	5.64×10^?6

阿奇霉素二水合物在水-有机溶剂中溶解度及三元相图测定

Solubility and ternary phase diagram of azithromycin dihydrate in water-organic solvent

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Solvent	a	b	R²	RMSD
pure propanone	1554.15	1.97	0.85192	2.92×10^?3
V_propanone∶V_water =9∶1	3186.41	6.16	0.9929	3.59×10^?4
V_propanone∶V_water =8∶2	2836.90	4.08	0.998775	1.54×10^?4
V_propanone∶V_water =7∶3	3371.51	14.80	0.95859	1.63×10^?4
V_propanone∶V_water =6∶4	2476.13	0.69	0.95543	3.70×10^?5
V_propanone∶V_water =5∶5	2804.08	0.66	0.91343	2.00×10^?5
V_propanone∶V_water =4∶6	2199.32	?2.52	0.88204	5.57×10^?5
V_propanone∶V_water =3∶7	883.76	?8.02	0.77605	8.82×10^?7
V_isopropanol∶V_water =9∶1	2964.97	5.87	0.928576	8.96×10^?4
V_isopropanol∶V_water =8∶2	2542.56	3.93	0.87457	1.37×10^?3
V_isopropanol∶V_water =7∶3	2415.29	2.91	0.9717	3.25×10^?4
V_isopropanol∶V_water =6∶4	2527.90	2.53	0.9183	2.99×10^?4
V_isopropanol∶V_water =5∶5	2599.23	1.83	0.96662	7.13×10^?5
V_isopropanol∶V_water =4∶6	2877.18	1.56	0.98168	1.96×10^?5
V_isopropanol∶V_water =3∶7	3105.40	0.50	0.9615	4.68×10^?6

Water content/%(vol)	10²x	Stable crystal	Water content/%(vol)	10²x	Stable crystal
293.15 K			298.15 K
0	2.96	monohydrate	0	3.09	monohydrate
0.5	2.94	monohydrate	0.5	2.73	monohydrate
0.8	2.95	monohydrate+dihydrate	0.8	2.65	monohydrate
2	2.21	dihydrate	1	2.75	monohydrate+dihydrate
4	1.54	dihydrate	2	2.19	dihydrate
10	0.93	dihydrate	3	1.69	dihydrate
12	0.79	dihydrate	10	1.06	dihydrate
20	0.39	dihydrate	20	0.43	dihydrate
24	0.25	dihydrate	30	0.15	dihydrate
30	0.14	dihydrate	40	0.05	dihydrate
34	0.09	dihydrate	50	0.0159	dihydrate
40	0.05	dihydrate	60	0.0052	dihydrate
303.15 K			308.15 K
0	3.73	monohydrate	0	3.89	monohydrate
0.5	3.59	monohydrate	1	3.56	monohydrate
1	3.23	monohydrate	1.2	3.47	monohydrate
1.2	3.02	monohydrate+ dihydrate	1.5	3.45	monohydrate+ dihydrate
4	1.99	dihydrate	2	3.01	dihydrate
8	1.33	dihydrate	3	2.44	dihydrate
10	1.23	dihydrate	3.5	2.31	dihydrate
12	0.97	dihydrate	6	1.88	dihydrate
24	0.30	dihydrate	10	1.51	dihydrate
30	0.17	dihydrate	20	0.58	dihydrate
34	0.11	dihydrate	30	0.198	dihydrate
40	0.054	dihydrate	40	0.062	dihydrate
44	0.034	dihydrate	50	0.0197	dihydrate
50	0.017	dihydrate	60	0.0060	dihydrate
60	0.0052	dihydrate	70	0.0018	dihydrate
80	0.0012	dihydrate
90	0.0011	dihydrate

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