Correlation between components of the Wiener index and partition coefficients of hydrocarbons

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Abstract

A decomposition procedure has been proposed for the Wiener index W of molecules containing nonsaturated CC bonds. The logarithms of the n‐octanol/water partition coefficients (log P) of 81 hydrocarbons were correlated with components of the Wiener index. It was found that at least three types of conjugated CC bonds should be distinguished in order to explain the variation in the values of log P in terms of components of W. © 1992 John Wiley & Sons, Inc.

Original languageEnglish
Pages (from-to)217-223
Number of pages7
JournalInternational Journal of Quantum Chemistry
Volume44
Issue number19 S
DOIs
Publication statusPublished - 1992

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Hydrocarbons
partitions
hydrocarbons
Decomposition
Molecules
Water
coefficients
logarithms
decomposition
water
molecules

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

Cite this

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abstract = "A decomposition procedure has been proposed for the Wiener index W of molecules containing nonsaturated CC bonds. The logarithms of the n‐octanol/water partition coefficients (log P) of 81 hydrocarbons were correlated with components of the Wiener index. It was found that at least three types of conjugated CC bonds should be distinguished in order to explain the variation in the values of log P in terms of components of W. {\circledC} 1992 John Wiley & Sons, Inc.",
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AB - A decomposition procedure has been proposed for the Wiener index W of molecules containing nonsaturated CC bonds. The logarithms of the n‐octanol/water partition coefficients (log P) of 81 hydrocarbons were correlated with components of the Wiener index. It was found that at least three types of conjugated CC bonds should be distinguished in order to explain the variation in the values of log P in terms of components of W. © 1992 John Wiley & Sons, Inc.

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