Article ID Journal Published Year Pages File Type
6660040 The Journal of Chemical Thermodynamics 2016 13 Pages PDF
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, (−2268.0 ± 0.9 and −271.2 ± 1.1 kJ · mol−1) and (−2211.4 ± 0.9 and −327.8 ± 1.1 kJ · mol−1). 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, −(167.6 ± 3.1) kJ · mol−1, suggested.
Related Topics
Physical Sciences and Engineering Chemical Engineering Chemical Engineering (General)
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