1H-Tetrazole, 1-methyl-

• Formula: C₂H₄N₄
• Molecular weight: 84.0800
• IUPAC Standard InChI: InChI=1S/C2H4N4/c1-6-2-3-4-5-6/h2H,1H3 Copy

  
• IUPAC Standard InChIKey: OMAFFHIGWTVZOH-UHFFFAOYSA-N Copy
• CAS Registry Number: 16681-77-9
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: N-Methyltetrazole; 1-Methyl-1H-tetrazole; 1-Methyltetrazole
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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Phase change data
  • Mass spectrum (electron ionization)
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Gas phase thermochemistry data

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

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

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Condensed 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References, Notes

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

View reactions leading to C₂H₄N₄⁺ (ion structure unspecified)

Ionization energy determinations

References

Go To: Top, Gas phase thermochemistry data, Condensed 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.

Kozyro, Simirskii, et al., 1990
Kozyro, A.A.; Simirskii, V.V.; Krasulin, A.P.; Sevruk, V.M.; Kabo, G.Ya.; Frenkel, M.L.; Gaponik, P.N.; Grigor'ev, Yu.V., Thermodynamic properties of tetrazole derivatives in different aggregation states, Russ. J. Phys. Chem. (Engl. Transl.), 1990, 64, 348-350. [all data]

Palmer, Simpson, et al., 1981
Palmer, M.H.; Simpson, I.; Wheeler, J.R., Gas phase tautomerism in the triazoles and tetrazoles: A study by photoelectron spectroscopy and ab initio molecular orbital calculations, Z. Naturforsch. A:, 1981, 36, 1246. [all data]

Notes

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

• Symbols used in this document:
  

  ΔcH°solid	Enthalpy of combustion of solid at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfH°solid	Enthalpy of formation of solid at standard conditions

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