Estimation of standard enthalpy of formation of alkanes in gaseous state by calculating size, structural and electronic parameters in the molecules

P.S Verma, B.L Gorsi, G.S Kalwania, Lovel
2010 Eclética química  
A quantitative analysis is made on the correlation ship of thermodynamic property, i.e., standard enthalpy of formation (ΔH f 0 ) with Kier's molecular connectivity index( 1 X v ),vander waal's volume (Vw) electrotopological state index (E) and refractotopological state index (R) in gaseous state of alkanes. The regression analysis reveals a significant linear correlation of standard enthalpy of formation (ΔH f 0 ) with 1 X v , Vw, E and R. The equations obtained by regression analysis may be
more » ... n analysis may be used to estimate standard enthalpy of formation (ΔH f 0 ) of alkanes in gaseous state.
doi:10.1590/s0100-46702010000300007 fatcat:tfeayspg7nayrgjp2654e6gwvu