Correlation and Prediction of Partition Coefficients from the Gas Phase and from Water to Alkan-1-ols

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Article discussing correlation and prediction of partition coefficients from the gas phase and from water to alkan-1-ols.

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6 p.

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Abraham, M. H. (Michael H.); Nasezadeh, Asadollah & Acree, William E. (William Eugene) April 22, 2008.

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Article discussing correlation and prediction of partition coefficients from the gas phase and from water to alkan-1-ols.

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6 p.

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Abstract: Partition coefficients, PS, have been obtained from the literature for partitions from water and from the gas phase to wet butan-1-ol, pentan-1-ol, hexan-1-ol, heptan-1-ol, nonan-1-ol, and decane-1-ol. Equations based on the Abraham descriptors have been constructed for the correlation of the 12 sets of coefficients to yield equations for the prediction of further coefficients. The number of compounds used in the regressions ranges from 54 (the decan-1-ol system) to 106 (the pentan-1-ol system), and the standard deviation (SD) in the regression equations is from 0.13 to 0.18 in log PS, except for the water-to-butan-1-ol system, where it is 0.23 log units. For the gas-to-wet alcohol partitions, the SD values are about 0.02 log units larger than for the corresponding water-to-wet alcohol partitions. The coefficients in the regression equations alter quite regularly with increase in size of the alcohol and can be used to deduce the chemical properties of the wet alcohols that influence partition.

Reprinted with permission from the Industrial and Engineering Chemistry Research. Copyright 2008 American Chemical Society.

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  • Industrial and Engineering Chemistry Research, 47(11), American Chemical Society, April 22, 2008, pp. 1-6

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  • Publication Title: Industrial and Engineering Chemistry Research
  • Volume: 47
  • Issue: 11
  • Page Start: 3990
  • Page End: 3995
  • Peer Reviewed: Yes

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  • April 22, 2008

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  • July 7, 2014, 8:20 a.m.

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  • Dec. 4, 2023, 12:29 p.m.

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Abraham, M. H. (Michael H.); Nasezadeh, Asadollah & Acree, William E. (William Eugene). Correlation and Prediction of Partition Coefficients from the Gas Phase and from Water to Alkan-1-ols, article, April 22, 2008; [Washington, D.C.]. (https://digital.library.unt.edu/ark:/67531/metadc306053/: accessed December 8, 2024), University of North Texas Libraries, UNT Digital Library, https://digital.library.unt.edu; crediting UNT College of Arts and Sciences.

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