Urea, methyl-
- Formula: C2H6N2O
- Molecular weight: 74.0818
- IUPAC Standard InChI: InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)
- IUPAC Standard InChIKey: XGEGHDBEHXKFPX-UHFFFAOYSA-N
- CAS Registry Number: 598-50-5
- 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: Methylurea; Monomethylurea; N-Methylurea; 1-Methylurea; CH3NHCONH2; Methylmocovina
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Gas 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°gas | -56.33 ± 0.20 | kcal/mol | Ccb | Kozyro, Kabo, et al., 1993 | |
| ΔfH°gas | -55.80 ± 0.24 | kcal/mol | Ccb | Kabo, Miroshnichenko, et al., 1990 | see Simirsky, Kabo, et al., 1987 and Simirskii, Kabo, et al., 1986 |
Gas phase ion energetics data
Go To: Top, Gas 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 |
|---|---|---|---|
| 9.73 ± 0.05 | EI | Baldwin, Kirkien-Konasiewicz, et al., 1966 | RDSH |
| 9.66 | PE | Dougherty, Wittel, et al., 1976 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| CH2NO+ | 13.25 | ? | EI | Loudon and Webb, 1977 | LLK |
| CH4N+ | 11.65 | ? | EI | Loudon and Webb, 1977 | LLK |
References
Go To: Top, Gas 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.
Kozyro, Kabo, et al., 1993
Kozyro, A.A.; Kabo, G.J.; Krasulin, A.P.; Sevruk, V.M.; Simirsky, V.V.; Sheiman, M.S.; Frenkel, M.L.,
Thermodynamic properties of methylurea,
J. Chem. Thermodyn., 1993, 25, 1409-1417. [all data]
Kabo, Miroshnichenko, et al., 1990
Kabo, G.Ya.; Miroshnichenko, E.A.; Frenkel, M.L.; Kozyro, A.A.; Simirskii, V.V.; Krasulin, A.P.; Vorob'eva, V.P.; Lebedev, Yu.A.,
Thermochemistry of urea alkyl derivatives,
Bull. Acad. Sci. USSR, Div. Chem. Sci., 1990, 662-667. [all data]
Simirsky, Kabo, et al., 1987
Simirsky, V.V.; Kabo, G.J.; Frenkel, M.L.,
Additivity of the enthalpies of formation of urea derivatives in the crystalline state,
J. Chem. Thermodyn., 1987, 19, 1121-1127. [all data]
Simirskii, Kabo, et al., 1986
Simirskii, V.V.; Kabo, G.Ya.; Frenkel, M.L.,
Enthalpies of combustion and of formation of monoalkyl derivatives of urea,
Russ. J. Phys. Chem. (Engl. Transl.), 1986, 60, 1233-1234. [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, Gas phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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