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

Citation
Af. Lagalante et al., Measurement and modeling of the water-R143A partition coefficients of organic solutes using a linear solvation energy relationship, J PHYS CH B, 103(34), 1999, pp. 7319-7323
Citations number
23
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY B
ISSN journal
15206106 → ACNP
Volume
103
Issue
34
Year of publication
1999
Pages
7319 - 7323
Database
ISI
SICI code
1520-6106(19990826)103:34<7319:MAMOTW>2.0.ZU;2-V
Abstract
The water-R143a partition coefficients for a set of thirteen organic solute s have been measured using high-pressure spectroscopy. Water partition coef ficients of the organic solutes were measured in the gas and supercritical phases of 1,1,1-trifluoroethane (R143a). A linear solvation energy relation ship (LSER) was developed to predict the measured water-R143a partition coe fficients using the Abraham descriptors of the solute and an additional sol vent descriptor as independent variables. Considering the entire water-R143 a partition coefficient data, the LSER model has an average absolute relati ve 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%.