1H-1,2,4-Triazole
- Formula: C2H3N3
- Molecular weight: 69.0653
- IUPAC Standard InChI: InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)
- IUPAC Standard InChIKey: NSPMIYGKQJPBQR-UHFFFAOYSA-N
- CAS Registry Number: 288-88-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Species with the same structure:
- Other names: s-Triazole; 1,2,4-Triazole; 1,2,4-1H-Triazole; CGA-71019; Pyrrodiazole
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Condensed phase 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | 108.7 ± 0.4 | kJ/mol | Ccb | Jimenez, Roux, et al., 1989 | ALS |
| ΔfH°solid | 113.1 ± 1.4 | kJ/mol | Ccb | Faour and Akasheh, 1985 | ALS |
| ΔfH°solid | 107.89 ± 0.46 | kJ/mol | Ccb | Masalitinova, Oleinikova, et al., 1984 | ALS |
| ΔfH°solid | 109.22 ± 0.94 | kJ/mol | Ccb | Aleksandrov, Osipova, et al., 1982 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -1324.4 ± 0.3 | kJ/mol | Ccb | Jimenez, Roux, et al., 1989 | ALS |
| ΔcH°solid | -1328.9 ± 1.2 | kJ/mol | Ccb | Faour and Akasheh, 1985 | ALS |
| ΔcH°solid | -1323.66 ± 0.37 | kJ/mol | Ccb | Masalitinova, Oleinikova, et al., 1984 | ALS |
| ΔcH°solid | -1324.99 ± 0.90 | kJ/mol | Ccb | Aleksandrov, Osipova, et al., 1982 | ALS |
| ΔcH°solid | -1325. | kJ/mol | Ccb | Zimmerman and Geisenfelder, 1961 | ALS |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 78.7 | 298.15 | Jimenez, Roux, et al., 1989 | DH |
References
Go To: Top, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Jimenez, Roux, et al., 1989
Jimenez, P.; Roux, M.V.; Turrion, C.,
Thermochemical properties of N-heterocyclic compounds II. Enthalpies of combustion, vapour pressures, enthalpies of sublimation, and enthalpies of formation of 1,2,4-triazole and benzotriazole,
J. Chem. Thermodyn., 1989, 21, 759-764. [all data]
Faour and Akasheh, 1985
Faour, M.; Akasheh, T.S.,
Heat of combustion of some N-heterocycle compounds. Part 1,
J. Chem. Soc. Perkin Trans. 2, 1985, 811-713. [all data]
Masalitinova, Oleinikova, et al., 1984
Masalitinova, T.N.; Oleinikova, T.P.; Polyakova, L.P.,
Thermochemical study of 1,2,4-triazole as a reference substnace for the calorimetry of combustion of organonitrogen compounds,
Ref. Zh., Khim.; Abstr. No. 7B3028, 1984, 0. [all data]
Aleksandrov, Osipova, et al., 1982
Aleksandrov, Yu.I.; Osipova, T.R.; Yuhkevich, V.F.,
Study of 1,2,4-triazole as a standard sample in the calorimetry of thoroughly nitrided organic compounds,
Termodin. Organ. Soedin., 1982, 42-45. [all data]
Zimmerman and Geisenfelder, 1961
Zimmerman, H.; Geisenfelder, H.,
Uber die Mesomerieenergie von Azolen,
Z. Electrochem., 1961, 65, 368-371. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid ΔcH°solid Enthalpy of combustion of solid 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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