Urea, trimethyl-
- Formula: C4H10N2O
- Molecular weight: 102.1350
- IUPAC Standard InChI: InChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)
- IUPAC Standard InChIKey: COSWCAGTKRUTQV-UHFFFAOYSA-N
- CAS Registry Number: 632-14-4
- 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) - Other names: N,N,N'-Trimethylurea; N,N'-Dimethyl-N-methylurea; Trimethylurea; 1,1,3-Trimethylurea; (CH3)2NCONHCH3; Urea, 1,1,3-trimethyl-; Trimethylharnstoff
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -330.5 ± 4.2 | kJ/mol | Ccb | Tavernier and Lamouroux, 1956 | Reanalyzed by Cox and Pilcher, 1970, Original value = -324.88 kJ/mol; Author's hf298_condensed=-79.745 kcal/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -2672.7 ± 4.2 | kJ/mol | Ccb | Tavernier and Lamouroux, 1956 | Reanalyzed by Cox and Pilcher, 1970, Original value = -2678.37 kJ/mol; Author's hf298_condensed=-79.745 kcal/mol |
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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.94 ± 0.05 | EI | Baldwin, Kirkien-Konasiewicz, et al., 1966 | RDSH |
| 8.80 | PE | Dougherty, Wittel, et al., 1976 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| CH4N+ | 11.45 | ? | EI | Loudon and Webb, 1977 | LLK |
| C2H4NO+ | 12.40 | ? | EI | Loudon and Webb, 1977 | LLK |
| C2H6N+ | 11.70 | ? | EI | Loudon and Webb, 1977 | LLK |
| C3H6NO+ | 12.40 | ? | EI | Loudon and Webb, 1977 | LLK |
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.
Tavernier and Lamouroux, 1956
Tavernier, P.; Lamouroux, M.,
Determinations calorimetriques relatives a vingt-six substances organiques,
Mem. Poudres, 1956, 38, 65-88. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Baldwin, Kirkien-Konasiewicz, et al., 1966
Baldwin, M.; Kirkien-Konasiewicz, A.; Loudon, A.G.; Maccoll, A.; Smith, D.,
Localised or delocalised charges in molecule-ions?,
Chem. Commun., 1966, 574. [all data]
Dougherty, Wittel, et al., 1976
Dougherty, D.; Wittel, K.; Meeks, J.; McGlynn, S.P.,
Photoelectron spectroscopy of carbonyls. Ureas, uracils, and thymine,
J. Am. Chem. Soc., 1976, 98, 3815. [all data]
Loudon and Webb, 1977
Loudon, A.G.; Webb, K.S.,
The nature of the [C2H6N]+ and [CH4N]+ ions formed by electron impact on methylated formamides, acetamides, ureas, thioureas and hexamethylphosphoramide,
Org. Mass Spectrom., 1977, 12, 283. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy 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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