Measurement and modeling of the water-R143A partition coefficients of organic solutes using a linear solvation energy relationship

被引:10
作者
Lagalante, AF [1 ]
Clarke, AM [1 ]
Bruno, TJ [1 ]
机构
[1] Natl Inst Stand & Technol, Phys & Chem Properties Div 838 00, Boulder, CO 80303 USA
来源
JOURNAL OF PHYSICAL CHEMISTRY B | 1999年 / 103卷 / 34期
关键词
D O I
10.1021/jp991264e
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The water-R143a partition coefficients for a set of thirteen organic solutes have been measured using high-pressure spectroscopy. Water partition coefficients of the organic solutes were measured in the gas and supercritical phases of 1,1,1-trifluoroethane (R143a). A linear solvation energy relationship (LSER) was developed to predict the measured water-R143a partition coefficients using the Abraham descriptors of the solute and an additional solvent descriptor as independent variables. Considering the entire water-R143a partition coefficient data, the LSER model has an average absolute relative deviation of 49.5%. Considering only the data above the critical density of R143a, the LSER has an average absolute relative deviation of 40.7%.
引用
收藏
页码:7319 / 7323
页数:5
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