1H-Tetrazole

• Formula: CH₂N₄
• Molecular weight: 70.0534
• IUPAC Standard InChI: InChI=1S/CH2N4/c1-2-4-5-3-1/h1H,(H,2,3,4,5) Copy

  
• IUPAC Standard InChIKey: KJUGUADJHNHALS-UHFFFAOYSA-N Copy
• CAS Registry Number: 288-94-8
• 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.
• Species with the same structure:
  • 2H-Tetrazole
• Other names: Tetraazacyclopentadiene; Tetrazole
• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas phase ion energetics data
• Data at other public NIST sites:
  • Computational Chemistry Comparison and Benchmark Database
  • Gas Phase Kinetics Database
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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes

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
DRB - Donald R. Burgess, Jr.

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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of solid

Phase change 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Enthalpy of sublimation

Enthalpy of fusion

Enthalpy of phase transition

Entropy of phase transition

Reaction 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:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

CHN₄^- +  =

By formula: CHN₄^- + H⁺ = CH₂N₄

 +  =  + 

By formula: C₃H₄N₄O + H₂O = CH₂N₄ + C₂H₄O₂

 +  =  + 

By formula: C₃H₄N₄O + C₆H₇N = C₈H₉NO + CH₂N₄

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Notes

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

Balepin, Lebedev, et al., 1977
Balepin, A.A.; Lebedev, V.P.; Miroshnichenko, E.A.; Koldobskii, G.I.; Ostovskii, V.A.; Larionov, B.P.; Gidaspov, B.V.; Lebedev, Yu.A., Energy effects in polyphenylenes and phenyltetrazoles, Svoistva Veshchestv Str. Mol., 1977, 93-98. [all data]

McEwan and Rigg, 1951
McEwan, W.S.; Rigg, M.W., The heats of combustion of compounds containing the tetrazole ring, J. Am. Chem. Soc., 1951, 73, 4725-4727. [all data]

Zimmerman and Geisenfelder, 1961
Zimmerman, H.; Geisenfelder, H., Uber die Mesomerieenergie von Azolen, Z. Electrochem., 1961, 65, 368-371. [all data]

Kabo, Kozyro, et al., 1993
Kabo, G.J.; Kozyro, A.A.; Krasulin, A.P.; Sevruk, V.M.; Ivashkevich, L.S., Thermodynamic properties and tautomerism of tetrazole, J. Chem. Thermodynam., 1993, 25, 485-493. [all data]

Hilgeman, Mouroux, et al., 1989
Hilgeman, F.R.; Mouroux, F.Y.N.; Mok, D.; Holan, M.K., Phase Diagrams of Binary Solid Azole Systems, J. Chem. Eng. Data, 1989, 34, 220. [all data]

Kabo, Kozyro, et al., 1993, 2
Kabo, G.Ya.; Kozyro, A.A.; Krasulin, A.P.; Sevruk, V.M.; Ivashkevich, L.S., Thermodynamic properties and tautomerism of tetrazole, J. Chem. Thermodyn., 1993, 25, 485. [all data]

Kozyro, Simirskii, et al., 1990
Kozyro, A.A.; Simirskii, V.V.; Kabo, G.Y.; Frenkel, M.L.; Krasulin, A.P.; Sevruk, V.M.; Sokolov, N.A., Additivity of the thermochemical characteristics of tetraalklyl-substituted carbamides, Zh. Fiz. Khim., 1990, 64, 2360. [all data]

Kozyro, Simirskii, et al., 1990, 2
Kozyro, A.A.; Simirskii, V.V.; Krasulin, A.P.; Sevruk, V.M.; Kabo, G.Y.; Frenkel, M.L.; Gaponik, P.N.; Grigor'ev, Y.V., Russ. J. Phys. Chem., 1990, 64, 348. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [all data]

Hilgeman, Mouroux, et al., 1989, 2
Hilgeman, F.R.; Mouroux, F.Y.N.; Mok, D.; Holan, M.K., Phase diagrams of binary solid azole systems, J. Chem. Eng. Data, 1989, 34, 220-222. [all data]

Kozyro, Simirskii, et al., 1990, 3
Kozyro, A.A.; Simirskii, V.V.; Krasulin, A.P.; Sevruk, V.M.; Kabo, G.Y.; Frenkel, M.L.; Gaponik, P.N.; Grigor'ev, Y.V., Thermodynamic properties of tetrazole derivatives in different aggregation states, Zh. Fiz. Khim., 1990, 64, 656. [all data]

Taft, 1991
Taft, R.W., , personal communication, Aug, 1991. [all data]

Wadso, 1960
Wadso, I., Heats of hydrolysis of N-acetylated imidazole, 1,2,4-triazole and tetrazole, Acta Chem. Scand., 1960, 14, 903-908. [all data]

Wadso, 1962
Wadso, I., Heats of aminolysis and hydrolysis of some N-acetyl compounds and of acetic anhydride, Acta Chem. Scand., 1962, 16, 471-478. [all data]

Notes

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• Symbols used in this document:
  

  Cp,solid	Constant pressure heat capacity of solid
  S°solid,1 bar	Entropy of solid at standard conditions (1 bar)
  Tfus	Fusion (melting) point
  Ttriple	Triple point temperature
  ΔHtrs	Enthalpy of phase transition
  ΔStrs	Entropy of phase transition
  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
  ΔfusH	Enthalpy of fusion
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions

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