Correlation and prediction of partition coefficients between the gas phase and water, and the solvents dodecane and undecane

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Article on the correlation and prediction of partition coefficients between the gas phase and water, and the solvents dodecane and undecane.

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6 p.

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Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene) October 29, 2004.

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Article on the correlation and prediction of partition coefficients between the gas phase and water, and the solvents dodecane and undecane.

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6 p.

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Abstract: Literature values of water/dodecane and gas/dodecane partition coefficients, P12 and K12, supplemented by some measurements of our own have led to a data base of partition coefficients for 118 solutes. Application of the Abraham solvation equations to the sets of partition coefficients leads to equations that correlate log P12 to 0.20 units and log K12 to 0.11 units. Consideration of results on independent test sets suggests that log P12 could be predicted to 0.2 to 0.3 units, and that log K12 could be predicted to 0.1 to 0.2 units. A smaller data set of 66 solutes has been assembled for undecane. Similar equations lead to correlations for log P11 and for log K11 that indicate these quantities could be predicted to 0.2 to 0.3 log units.

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  • New Journal of Chemistry, 2004, Cambridge: Royal Society of Chemistry (Great Britain), pp. 1538-1543

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Publication Information

  • Publication Title: New Journal of Chemistry
  • Volume: 28
  • Issue: 12
  • Page Start: 1538
  • Page End: 1543
  • Pages: 6
  • Peer Reviewed: Yes

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UNT Scholarly Works

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  • October 29, 2004

Submitted Date

  • July 23, 2004

Accepted Date

  • September 22, 2004

Added to The UNT Digital Library

  • Oct. 2, 2015, 9:40 a.m.

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Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene). Correlation and prediction of partition coefficients between the gas phase and water, and the solvents dodecane and undecane, article, October 29, 2004; [Cambridge, England]. (digital.library.unt.edu/ark:/67531/metadc725852/: accessed October 18, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT College of Arts and Sciences.