2,4,5-Trioxoimidazolidine
- Formula: C3H2N2O3
- Molecular weight: 114.0596
- IUPAC Standard InChI: InChI=1S/C3H2N2O3/c6-1-2(7)5-3(8)4-1/h(H2,4,5,6,7,8)
- IUPAC Standard InChIKey: ZFLIKDUSUDBGCD-UHFFFAOYSA-N
- CAS Registry Number: 120-89-8
- 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: Imidazolidinetrione; Parabanic acid; 2,4,5-Imidazolinetrione; Imidazole-trione; Oxalylurea; Trioxoimidazolidine
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Phase change 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 by: William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 28.5 ± 0.1 | kcal/mol | ME | Ribeiro da Silva, Ribeiro da Silva, et al., 2008 | Based on data from 381. to 406. K. |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 27.4 ± 0.1 | 393.7 | ME | Ribeiro da Silva, Ribeiro da Silva, et al., 2008 | Based on data from 381. to 406. K. |
Gas phase ion energetics data
Go To: Top, Phase change 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 |
|---|---|---|
| 10.67 | PE | Meeks, Arnett, et al., 1975 |
References
Go To: Top, Phase change 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.
Ribeiro da Silva, Ribeiro da Silva, et al., 2008
Ribeiro da Silva, Maria das Dores M.C.; Ribeiro da Silva, Manuel A.V.; Freitas, Vera L.S.; Roux, Maria Victoria; Jiménez, Pilar; Dávalos, Juan Z.; Cabildo, Pilar; Claramunt, Rosa M.; Elguero, José,
Structural studies of cyclic ureas: 2. Enthalpy of formation of parabanic acid,
The Journal of Chemical Thermodynamics, 2008, 40, 9, 1378-1385, https://doi.org/10.1016/j.jct.2008.05.006
. [all data]
Meeks, Arnett, et al., 1975
Meeks, J.L.; Arnett, J.F.; Larson, D.; McGlynn, S.P.,
Photoelectron spectroscopy of carbonyls. Ionization assignments,
Chem. Phys. Lett., 1975, 30, 190. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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