3H-1,2,4-Triazol-3-one, 1,2-dihydro-
- Formula: C2H3N3O
- Molecular weight: 85.0647
- IUPAC Standard InChI: InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)
- IUPAC Standard InChIKey: LZTSCEYDCZBRCJ-UHFFFAOYSA-N
- CAS Registry Number: 930-33-6
- 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: s-Triazol-3-ol; 1,2-dihydro-3H-1,2,4-triazol-3-one
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Condensed phase thermochemistry data
Go To: Top, Gas phase ion energetics data, 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 | -142.4 ± 0.7 | kJ/mol | Ccb | Finch, Gardner, et al., 1991 | crystal phase; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -1073.34 ± 0.59 | kJ/mol | Ccb | Finch, Gardner, et al., 1991 | crystal phase; ALS |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 68.9 | 320. | Finch, Gardner, et al., 1991 | T = 320 to 420 K. Cp(c) = 0.00214(T/K) + 0.125 J/kg*K.; DH |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.18 | PE | Guimon, Pfister-Guillouzo, et al., 1975 | Vertical value |
References
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Finch, Gardner, et al., 1991
Finch, A.; Gardner, P.J.; Head, A.J.; Majdi, H.S.,
The enthalpies of formation of 1,2,4-triazol-5-one and 3-nitro-1,2,4-triazol-5-one,
J. Chem. Thermodyn., 1991, 23, 1169-1173. [all data]
Guimon, Pfister-Guillouzo, et al., 1975
Guimon, C.; Pfister-Guillouzo, G.; Arbelot, M.,
Spectres photoelectroniques d'J. Heterocycl. Chem. carbonyles et thiocarbonyles,
Tetrahedron, 1975, 31, 2769. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics 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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