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)
- IUPAC Standard InChIKey: KJUGUADJHNHALS-UHFFFAOYSA-N
- 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:
- Other names: Tetraazacyclopentadiene; Tetrazole
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Reaction thermochemistry data
Go To: Top, 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:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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Individual Reactions
CHN4- + =
By formula: CHN4- + H+ = CH2N4
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 333.7 ± 2.1 | kcal/mol | G+TS | Taft, 1991 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 326.4 ± 2.0 | kcal/mol | IMRE | Taft, 1991 | gas phase; B |
+
=
+
By formula: C3H4N4O + H2O = CH2N4 + C2H4O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -10.31 ± 0.09 | kcal/mol | Cm | Wadso, 1960 | solid phase; Heat of hydrolysis; ALS |
+
=
+
By formula: C3H4N4O + C6H7N = C8H9NO + CH2N4
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -20.22 ± 0.08 | kcal/mol | Cm | Wadso, 1962 | solid phase; ALS |
References
Go To: Top, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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