- Formula: C4H4N2
- Molecular weight: 80.0880
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: PBMFSQRYOILNGV-UHFFFAOYSA-N
- CAS Registry Number: 289-80-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Orthodiazine; 1,2-Diazabenzene; 1,2-Diazine
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Reaction thermochemistry data
Go To: Top, References, Notes
Data compiled by: John E. Bartmess
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C4H3N2- + =
By formula: C4H3N2- + H+ = C4H4N2
|rH°||382.4 ± 2.5||kcal/mol||TDEq||Meot-ner and Kafafi, 1988||gas phase; Pyridazine. Anchored to 88MEO scale, not the "87 Acidity Scale".|
|rG°||374.00 ± 0.70||kcal/mol||N/A||Wren, Vogelhuber, et al., 2012||gas phase|
|rG°||373.4 ± 2.0||kcal/mol||TDEq||Meot-ner and Kafafi, 1988||gas phase; Pyridazine. Anchored to 88MEO scale, not the "87 Acidity Scale".|
Go To: Top, Reaction thermochemistry data, Notes
Meot-ner and Kafafi, 1988
Meot-ner, M.; Kafafi, S.A., Carbon Acidities of Aromatic Compounds, J. Am. Chem. Soc., 1988, 110, 19, 6297, https://doi.org/10.1021/ja00227a003 . [all data]
Wren, Vogelhuber, et al., 2012
Wren, S.W.; Vogelhuber, K.M.; Garver, J.M.; Kato, S.; Sheps, L.; Bierbaum, V.M.; Lineberger, W.C., C-H Bond Strengths and Acidities in Aromatic Systems: Effects of Nitrogen Incorporation in Mono-, Di-, and Triazines, J. Am. Chem. Soc., 2012, 134, 15, 6584-6595, https://doi.org/10.1021/ja209566q . [all data]
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
rG° Free energy of reaction at standard conditions rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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