What is the enthalpy of formation of pyrazine-2-carboxylic acid?
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 pa...
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Elsevier
2021
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| Acceso en línea: | http://repositorio.unne.edu.ar/handle/123456789/27912 |
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I48-R184-123456789-279122025-03-06T10:57:27Z What is the enthalpy of formation of pyrazine-2-carboxylic acid? Duarte, Darío Jorge Roberto Miranda, Margarida S. Liebman, Joel F. Pyrazine Carboxylic acid Enthalpy of formation 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. 2021-05-11T18:07:07Z 2021-05-11T18:07:07Z 2016 Artículo Duarte, Darío J. R., Miranda, Margarida S. y Liebman, Joel F., 2016. What is the enthalpy of formation of pyrazine-2-carboxylic acid?. Journal of Chemical Thermodynamics. Manchester: Elsevier, vol. 97, p. 261-263. ISSN 0021-9614. 0021-9614 http://repositorio.unne.edu.ar/handle/123456789/27912 eng openAccess http://creativecommons.org/licenses/by-nc-nd/2.5/ar/ application/pdf application/pdf Elsevier Journal of Chemical Thermodynamics, 2016, vol. 97, p. 261-263. |
| institution |
Universidad Nacional del Nordeste |
| institution_str |
I-48 |
| repository_str |
R-184 |
| collection |
RIUNNE - Repositorio Institucional de la Universidad Nacional del Nordeste (UNNE) |
| language |
Inglés |
| topic |
Pyrazine Carboxylic acid Enthalpy of formation |
| spellingShingle |
Pyrazine Carboxylic acid Enthalpy of formation Duarte, Darío Jorge Roberto Miranda, Margarida S. Liebman, Joel F. What is the enthalpy of formation of pyrazine-2-carboxylic acid? |
| topic_facet |
Pyrazine Carboxylic acid Enthalpy of formation |
| description |
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. |
| format |
Artículo |
| author |
Duarte, Darío Jorge Roberto Miranda, Margarida S. Liebman, Joel F. |
| author_facet |
Duarte, Darío Jorge Roberto Miranda, Margarida S. Liebman, Joel F. |
| author_sort |
Duarte, Darío Jorge Roberto |
| title |
What is the enthalpy of formation of pyrazine-2-carboxylic acid? |
| title_short |
What is the enthalpy of formation of pyrazine-2-carboxylic acid? |
| title_full |
What is the enthalpy of formation of pyrazine-2-carboxylic acid? |
| title_fullStr |
What is the enthalpy of formation of pyrazine-2-carboxylic acid? |
| title_full_unstemmed |
What is the enthalpy of formation of pyrazine-2-carboxylic acid? |
| title_sort |
what is the enthalpy of formation of pyrazine-2-carboxylic acid? |
| publisher |
Elsevier |
| publishDate |
2021 |
| url |
http://repositorio.unne.edu.ar/handle/123456789/27912 |
| work_keys_str_mv |
AT duartedariojorgeroberto whatistheenthalpyofformationofpyrazine2carboxylicacid AT mirandamargaridas whatistheenthalpyofformationofpyrazine2carboxylicacid AT liebmanjoelf whatistheenthalpyofformationofpyrazine2carboxylicacid |
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