Pyrazine, 1,4-dioxide

• Formula: C₄H₄N₂O₂
• Molecular weight: 112.0868
• IUPAC Standard InChI: InChI=1S/C4H4N2O2/c7-5-1-2-6(8)4-3-5/h1-4H Copy

  
• IUPAC Standard InChIKey: SXTKIFFXFIDYJF-UHFFFAOYSA-N Copy
• CAS Registry Number: 2423-84-9
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Pyrazine di-N-oxide; Pyrazine dioxide; Pyrazine N,N'-dioxide
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• Information on this page:
  • Gas phase thermochemistry data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • Mass spectrum (electron ionization)
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Gas phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Stewart, 2004
Stewart, J.J.P., Comparison of the accuracy of semiempirical and some DFT methods for predicting heats of formation, J. Mol. Model, 2004, 10, 1, 6-10, https://doi.org/10.1007/s00894-003-0157-6 . [all data]

Acree, Powell, et al., 1997
Acree, W.E., Jr.; Powell, J.R.; Tucker, S.A.; Ribeiro da Silva, M.D.M.C.; Matos, M.A.R.; Goncalves, J.M.; Santos, L.M.N.B.F.; Morais, V.M.F.; Pilcher, G., Thermochemical and theroretical study of some quinoxaline 1,4-dioxides and pyrazine 1,4-dioxide, J. Org. Chem., 1997, 62, 3722-3726. [all data]

Maier, Muller, et al., 1975
Maier, J.P.; Muller, J.-F.; Kubota, T., 182. Ionisation energies and the electronic structures of the N-oxides of diazabenzenes, Helv. Chim. Acta, 1975, 58, 1634. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References

• Symbols used in this document:
  

  ΔfH°gas

  Enthalpy of formation of gas at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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