Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
6660040 | The Journal of Chemical Thermodynamics | 2016 | 13 Pages |
Abstract
There are two contemporary conflicting, indeed, incompatible determinations of measurements of the enthalpies of combustion and of formation of pyrazine-2-carboxylic acid in the literature, (â2268.0 ± 0.9 and â271.2 ± 1.1 kJ · molâ1) and (â2211.4 ± 0.9 and â327.8 ± 1.1 kJ · molâ1). The current paper discusses these two sets of values and from the use of a measurement of the enthalpy of sublimation, a newly evaluated enthalpy of formation of pyrazine itself, and of the quantum chemical calculations at the G3(MP2)//B3LYP level, the former results are accepted and the derived gas phase enthalpy of formation, â(167.6 ± 3.1) kJ · molâ1, suggested.
Keywords
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Chemical Engineering (General)
Authors
Margarida S. Miranda, DarÃo J.R. Duarte, Joel F. Liebman,