Estimation of thermodynamic properties of some organic molecules
Автор:Bhanwar lal Gorsi and Lovel Gorsi Год: 2011 Издание:LAP Lambert Academic Publishing Страниц: 144 ISBN: 9783845402833 Experimental measurements of some thermodynamic parameters involve experimental difficulties and the corresponding methods possess real drawbacks. Consequently, it is necessary to resort to a theoretical calculation of these parameters. Literature reveals that the first order valence connectivity (1?v ) van der waals volume (vW), electrotopological state index ( E ) and refractotopological state index (R ),the important structural ,size and electronic parameters have been found to be one of the most fundamental characteristics of the physical properties of organic molecules.In the present study, the thermodynamic properties, e.g., standard specific heat capacities (Cpo), standard entropy (So), change of standard Gibb’s free energy (?Gfo), change of enthalpy of formation (?Hf 0), enthalpy of vaporization (?Hv), enthalpy of sublimation (?Hs ) and enthalpy of melting (?Hm ) have been found to be significantly correlated with the size, structural and electronic...
