Estimation of standard enthalpy of formation of alkanes in gaseous state by calculating size, structural and electronic parameters in the molecules
A quantitative analysis is made on the correlation ship of thermodynamic property, i.e., standard enthalpy of formation (ΔH fº) with Kier's molecular connectivity index(¹Xv),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 fº) with ¹Xv, Vw, E and R. The equations obtained by regression analysis may be used to estimate standard enthalpy of formation (ΔH fº) of alkanes in gaseous state.
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| Main Authors: | , , , |
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| Format: | Digital revista |
| Language: | English |
| Published: |
Fundação Editora da Universidade Estadual Paulista Júlio de Mesquita Filho - UNESP
2010
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| Online Access: | http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-46702010000300007 |
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