A QSPR analysis for physical properties of lower alkanes involving Peripheral Wiener index

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Pinto R. M., Rajendra R., Reddy P. S. K., CANGÜL İ. N.

Montes Taurus Journal of Pure and Applied Mathematics, vol.4, no.2, pp.81-85, 2022 (Scopus) identifier

  • Publication Type: Article / Article
  • Volume: 4 Issue: 2
  • Publication Date: 2022
  • Journal Name: Montes Taurus Journal of Pure and Applied Mathematics
  • Journal Indexes: Scopus
  • Page Numbers: pp.81-85
  • Keywords: Peripheral Wiener index, Topological index
  • Bursa Uludag University Affiliated: Yes

Abstract

Establishing new relationships between the physical properties and the molecular structure of chemical compounds is very exciting. In this short paper, a QSPR analysis is carried for physical properties of lower alkanes involving Peripheral Wiener index, number of paths of length 3 and the number of vertices in molecular graphs and best multiple linear regression models are presented for boiling points, molar volumes, molar refractions, heats of vaporization, critical temperatures, critical pressures and surface tensions of lower alkanes.