Abstract

Estimation of Standard Heat Capacity of Alkanes in Gaseous State by Calculating Size, Structural and Electronic Parameters of the Molecules

Author(s): P. S. Verma, B. L. Gorsi and Lovel P. Singh

A quantitative analysis is made on the relationship of thermodynamic property, i.e., standard heat capacity (Cp0 ) with size, structural and electronic parameters of the molecules, i.e., Kier’s molecular connectivity index (1X v ), Van der Waals’ volume (Vw), electrotopological state index (E) and refractotopological state index (R) in gaseous state of alkanes. The regression analysis reveals a significant linear correlationships of standard heat capacity (Cpo ) with 1X v , Vw, E and R. The equations obtained by regression analysis may be used to estimate standard heat Capacity (Cpo ) of alkanes in gaseous state.