Abstrakt

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

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.