1H-Tetrazole, 1-phenyl-
- Formula: C7H6N4
- Molecular weight: 146.1493
- IUPAC Standard InChI: InChI=1S/C7H6N4/c1-2-4-7(5-3-1)11-6-8-9-10-11/h1-6H
- IUPAC Standard InChIKey: IYPXPGSELZFFMI-UHFFFAOYSA-N
- CAS Registry Number: 5378-52-9
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 1-Phenyl-1H-tetrazole; 1-Phenyltetrazole
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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 | 107.1 ± 0.7 | kcal/mol | Ccb | Balepin, Lebedev, et al., 1977 | ALS |
| ΔfH°gas | 111.3 | kcal/mol | N/A | McEwan and Rigg, 1951 | Value computed using ΔfHsolid° value of 361.8 kj/mol from McEwan and Rigg, 1951 and ΔsubH° value of 104.0 kj/mol from Balepin, Lebedev, et al., 1977.; DRB |
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
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | A.KONNECKE KARL-MARX UNIV., LEIPZIG 701, GERMANY, G.D.R. |
| NIST MS number | 57814 |
References
Go To: Top, Gas phase 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]
Notes
Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), 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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