Extended molecular connectivity: Prediction of boiling points of alkanes

A. A. Toropov, A. P. Toropova, T. T. Ismailov, N. L. Voropaeva, I. N. Ruban

Research output: Contribution to journalArticlepeer-review

Abstract

It is shown that extended molecular connectivity may be used for "structure-property" studies. The statistical parameters of the correlation relations of boiling points with extended molecular connectivity indices found for a sample of alkanes (n = 74) are the following: the best two-parameter correlation r = 0.9948, s = 4.7; the best three-parameter correlation r = 0.9977, s = 3.5.

Original languageEnglish
Pages (from-to)965-969
Number of pages5
JournalJournal of Structural Chemistry
Volume38
Issue number6
Publication statusPublished - Nov 1997

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Physical and Theoretical Chemistry

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