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8442200 
Journal Article 
Boiling point of alkanes and alkenes-from graph eccentricity 
Yamuna, M; Divya, T 
2018 
Research Journal of Pharmacy and Technology 
11 
5 
1962-1970 
English 
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. © RJPT All right reserved. 
Alkanes; Alkenes; Boiling Point; Distance matrix; Eccentricity; Isomeric group; Molecular structure; Molecules; Wiener Index