Research Journal of Pharmacy and Technology
Year : 2018, Volume : 11, Issue : 5
First page : ( 1962) Last page : ( 1970)
Print ISSN : 0974-3618. Online ISSN : 0974-360X.
Article DOI : 10.5958/0974-360X.2018.00364.5

Boiling point of alkanes and alkenes-From graph eccentricity

Yamuna M.*, Divya T.

Department of Mathematics, SAS, VIT University, Vellore, Tamilnadu, India, 632 014

*Corresponding Author E-mail: myamuna@vit.ac.in

Online published on 21 August, 2018.

Abstract

There is a relationship between the physical properties and the molecular structure of chemicals. This relation is well established by the determination of a power formula for determining the boiling point of chemicals using Wiener index. A power formula relating this is developed by Harry Wiener. Calculation of Wiener index requires determination of distance between every pair of vertices in the chemical graph representation of the molecular structure. Eccentricity is a graph property that requires only the longest distance calculation from every vertex. If the physical properties can be developed using eccentricity only, then it reduces manual calculation of distance between all pair of vertices. In this paper a power formula to determine the boiling point of alkanes and alkenes is developed. The boiling point determined using this power formula is verified with the values developed from the existing one and is seen to be in good correlation with the existing formula.

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Keywords

Molecules, Molecular structure, Isomeric group, Alkanes, Alkenes, Wiener Index, Distance matrix, Eccentricity, Boiling Point.

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