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Estimation of thermodynamic properties of some organic molecules

 

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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 parameters,with the above structural ,size and electronic parametersTherefore, these structural, size and electronic parameters can be used for the theoretically estimation of the above thermodynamic properties.

Product Specifications
SKU :COC98483
AuthorBhanwar lal Gorsi and Lovel Gorsi
LanguageEnglish
BindingPaperback
Number of Pages144
Publishing Year2011-07-26T00:00:00.000
ISBN978-3845402833
Edition1 st
Book TypeAnalytical chemistry
Country of ManufactureIndia
Product BrandLAP LAMBERT Academic Publishing
Product Packaging InfoBox
In The Box1 Piece
Product First Available On ClickOnCare.com2015-08-18 00:00:00
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