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

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Published: Sep 30, 2010
DOI: https://doi.org/10.26850/1678-4618eqj.v35.3.2010.p83-91
Keywords:
Kier's molecular connectivity (1Xv), vander waal's volume (Vw), Electrotopological state index (E), Refractotopological state (R)

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Prem Singh Verma
University of Ajasthan, Department of Chemistry, Jaipur, India.
Bhanwar Lal Gorsi
S. K. Government P. G. College, Department of Chemistry, Sikar, India.
G. S. Kalwania
S. K. Government P. G. College, Department of Chemistry, Sikar, India.
Lovel P. Singh
S. K. Government P. G. College, Department of Chemistry, Sikar, India.

Abstract

A quantitative analysis is made on the correlation ship of thermodynamic property, i.e., standard enthalpy of formation (ΔH f0) 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 f0) with 1Xv, Vw, E and R. The equations obtained by regression analysis may be used to estimate standard enthalpy of formation (ΔH f0) of alkanes in gaseous state.

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Verma, P. S., Gorsi, B. L., Kalwania, G. S., & Singh, L. P. (2010). Estimation of standard enthalpy of formation of alkanes in gaseous state by calculating size, structural and electronic parameters in the molecules. Eclética Química, 35(3), 83–91. https://doi.org/10.26850/1678-4618eqj.v35.3.2010.p83-91
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Vol. 35 No. 3 (2010): Eclética Química
Section
Original articles
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