Improved Correlation between Theoretical and Experimental Determination of Heat of Formation of Some Aliphatic Nitro Compounds

Science Direct Working Paper No S1574-0331(04)70264-7

10 Pages Posted: 26 May 2017 Last revised: 9 Dec 2017

See all articles by Pablo Duchowicz

Pablo Duchowicz

Universidad Nacional de La Plata - Departamento de Quimica

PC Chen

Hsiuping University of Science and Technology - Department of Chemical Engineering

Eduardo Alberto Castro

Universidad Nacional de La Plata - Departamento de Quimica

Date Written: May 2002

Abstract

We present improved correlations between theoretical and experimental determ ination of heat of formation of some aliphatic nitro compounds. The method is based on a previously given theoretical procedure, which is am eliorate through the introduction of suitable bond param eters. The comparison with available experimental data and previous theoretical estimation show a quite satisfactory improvement. Som e possible further extensions are pointed out.

Keywords: Heat of formation, Aliphatic nitro compounds, Semi-empirical methods

Suggested Citation

Duchowicz, Pablo and Chen, PC and Castro, Eduardo Alberto, Improved Correlation between Theoretical and Experimental Determination of Heat of Formation of Some Aliphatic Nitro Compounds (May 2002). Science Direct Working Paper No S1574-0331(04)70264-7, Available at SSRN: https://ssrn.com/abstract=2969270

Pablo Duchowicz

Universidad Nacional de La Plata - Departamento de Quimica

Calle 47 y 115
La Plata, 1900
Argentina

PC Chen

Hsiuping University of Science and Technology - Department of Chemical Engineering

11 Sec. 2 Daching Street
Taichung, 402
Taiwan

Eduardo Alberto Castro (Contact Author)

Universidad Nacional de La Plata - Departamento de Quimica ( email )

Calle 47 y 115
La Plata, 1900
Argentina

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