1H-Tetrazole, 5-phenyl-
- Formula: C7H6N4
- Molecular weight: 146.1493
- IUPAC Standard InChI: InChI=1S/C7H6N4/c1-2-4-6(5-3-1)7-8-10-11-9-7/h1-5H,(H,8,9,10,11)
- IUPAC Standard InChIKey: MARUHZGHZWCEQU-UHFFFAOYSA-N
- CAS Registry Number: 18039-42-4
- 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: MA 1623; 2H-Tetrazole, 5-phenyl-; 5-Phenyl tetrazole; 5-Phenyl-2H-tetrazole; 5-Phenyl(1H)tetrazole
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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
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 413. ± 5.9 | kJ/mol | Ccb | Balepin, Lebedev, et al., 1977 | ALS |
| ΔfH°gas | 407.5 | kJ/mol | N/A | McEwan and Rigg, 1951 | Value computed using ΔfHsolid° value of 292.5 kj/mol from McEwan and Rigg, 1951 and ΔsubH° value of 115.0 kj/mol from Balepin, Lebedev, et al., 1977.; DRB |
References
Go To: Top, Gas phase thermochemistry data, 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]
Notes
Go To: Top, Gas phase thermochemistry 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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