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

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

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 relation...

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Main Authors: Lagalante, Anthony., Clarke, Adam., Bruno, Thomas.
Format: Villanova Faculty Authorship
Language:English
Published: 1999
Online Access:http://ezproxy.villanova.edu/login?url=https://digital.library.villanova.edu/Item/vudl:177892
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spelling Measurement and modeling of the water-R143A partition coefficients of organic solutes using a linear solvation energy relationship.
Lagalante, Anthony.
Clarke, Adam.
Bruno, Thomas.
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%.
1999
Villanova Faculty Authorship
vudl:177892
Journal of Physical Chemistry, B, 103(34), August 1999, 7319-7323.
en
dc.title_txt_mv Measurement and modeling of the water-R143A partition coefficients of organic solutes using a linear solvation energy relationship.
dc.creator_txt_mv Lagalante, Anthony.
Clarke, Adam.
Bruno, Thomas.
dc.description_txt_mv 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%.
dc.date_txt_mv 1999
dc.format_txt_mv Villanova Faculty Authorship
dc.identifier_txt_mv vudl:177892
dc.source_txt_mv Journal of Physical Chemistry, B, 103(34), August 1999, 7319-7323.
dc.language_txt_mv en
author Lagalante, Anthony.
Clarke, Adam.
Bruno, Thomas.
spellingShingle Lagalante, Anthony.
Clarke, Adam.
Bruno, Thomas.
Measurement and modeling of the water-R143A partition coefficients of organic solutes using a linear solvation energy relationship.
author_facet Lagalante, Anthony.
Clarke, Adam.
Bruno, Thomas.
dc_source_str_mv Journal of Physical Chemistry, B, 103(34), August 1999, 7319-7323.
format Villanova Faculty Authorship
author_sort Lagalante, Anthony.
dc_date_str 1999
dc_title_str Measurement and modeling of the water-R143A partition coefficients of organic solutes using a linear solvation energy relationship.
description 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%.
title Measurement and modeling of the water-R143A partition coefficients of organic solutes using a linear solvation energy relationship.
title_full Measurement and modeling of the water-R143A partition coefficients of organic solutes using a linear solvation energy relationship.
title_fullStr Measurement and modeling of the water-R143A partition coefficients of organic solutes using a linear solvation energy relationship.
title_full_unstemmed Measurement and modeling of the water-R143A partition coefficients of organic solutes using a linear solvation energy relationship.
title_short Measurement and modeling of the water-R143A partition coefficients of organic solutes using a linear solvation energy relationship.
title_sort measurement and modeling of the water-r143a partition coefficients of organic solutes using a linear solvation energy relationship.
publishDate 1999
normalized_sort_date 1999-01-01T00:00:00Z
language English
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