More on the line graph model for predicting physico-chemical properties of alkanes

Ivan Gutman, Željko Tomović

Research output: Contribution to journalArticleAcademicpeer-review

4 Citations (Scopus)

Abstract

The iterated line graph sequence L i , i=1,2,..., of a graph G is defined so that L 1 is the line graph of G, L 2 is the line graph of L 1 , etc. Let G be a molecular graph possessing m 0 edges and let m i be the number of edges of L i , i=1,2,.... We examine the applicability of the linear model a 0 m i0 +a 1 m i1 + +a 2 m i2 +...+a k m ik +b for predicting physico-chemical properties of alkanes (boiling points, molar volumes, molar refractions, heats of vaporization, critical temperatures, critical pressures and surface tensions). For all properties studied, the optimal model has k=2, i 0 =0, i 1 =1, but i 2 varies between 2 and 4.

Original languageEnglish
Pages (from-to)439-445
Number of pages7
JournalACH - Models in Chemistry
Volume137
Issue number4
Publication statusPublished - 1 Jan 2000
Externally publishedYes

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