1-[1,2,4]Triazol-1-ylethanone
- Formula: C4H5N3O
- Molecular weight: 111.1020
- IUPAC Standard InChI: InChI=1S/C4H5N3O/c1-4(8)7-3-5-2-6-7/h2-3H,1H3
- IUPAC Standard InChIKey: GLGDTYAVPSJOSQ-UHFFFAOYSA-N
- CAS Registry Number: 15625-88-4
- 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: 1-Acetyl-1H-1,2,4-triazole; 1-Acetyl-1,2,4-triazole
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Reaction thermochemistry data
Go To: Top, Mass spectrum (electron ionization), 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
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By formula: C4H5N3O + H2O = C2H3N3 + C2H4O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -7.29 ± 0.06 | kcal/mol | Cm | Wadso, 1960 | solid phase; Heat of hydrolysis |
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By formula: C4H11N + C4H5N3O = C6H13NO + C2H3N3
| Quantity | Value | Units | Method | Reference | Comment |
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| ΔrH° | -20.50 ± 0.06 | kcal/mol | Cm | Wadso, 1962 | solid phase |
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By formula: C4H5N3O + C6H7N = C8H9NO + C2H3N3
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -17.28 ± 0.08 | kcal/mol | Cm | Wadso, 1962 | solid phase |
Mass spectrum (electron ionization)
Go To: Top, Reaction 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: 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 | Chemical Concepts |
| NIST MS number | 195061 |
References
Go To: Top, Reaction 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.
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, Mass spectrum (electron ionization), References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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