Correlations of indices calculated from the matrix of maximal topological distances with boiling points of alkylbenzenes

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

Research output: Contribution to journalArticle

Abstract

The matrix of maximal topological distances of a graph can serve as a basis for constructing new topological indices of ring-containing structures. A comparative study of the structure-property correlations of the indices of the matrix of maximal topological distances and known Wiener, Harary, and Schultz indices (instructive sample of 29 alkylbenzenes) showed that the best two- and three-parameter correlations with boiling points include the indices of the maximal distance matrix. The two-parameter (r = 0.0992, s = 3.5) and three-parameter (r = 0.994, s = 3.1) correlations may be used for quantitative predictions of the boiling points of alkylbenzenes.

Original languageEnglish
Pages (from-to)135-139
Number of pages5
JournalJournal of Structural Chemistry
Volume38
Issue number1
Publication statusPublished - Jan 1997

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Physical and Theoretical Chemistry

Fingerprint Dive into the research topics of 'Correlations of indices calculated from the matrix of maximal topological distances with boiling points of alkylbenzenes'. Together they form a unique fingerprint.

  • Cite this

    Toropov, A. A., Toropova, A. P., Ismailov, T. T., Voropaeva, N. L., & Ruban, I. N. (1997). Correlations of indices calculated from the matrix of maximal topological distances with boiling points of alkylbenzenes. Journal of Structural Chemistry, 38(1), 135-139.