Urea, N,N-dimethyl-
- Formula: C3H8N2O
- Molecular weight: 88.1084
- IUPAC Standard InChIKey: YBBLOADPFWKNGS-UHFFFAOYSA-N
- CAS Registry Number: 598-94-7
- 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: Urea, 1,1-dimethyl-; Asym-Dimethylurea; N,N-Dimethylurea; 1,1-Dimethylurea; (CH3)2NCONH2
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Gas phase thermochemistry data
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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 | -52.57 ± 0.27 | kcal/mol | Ccb | Kabo, Miroshnichenko, et al., 1990 | see Simirsky, Kabo, et al., 1987 |
Condensed phase thermochemistry data
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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 | -76.26 ± 0.16 | kcal/mol | Ccb | Kabo, Miroshnichenko, et al., 1990 | see Simirsky, Kabo, et al., 1987 |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -479.16 ± 0.13 | kcal/mol | Ccb | Kabo, Miroshnichenko, et al., 1990 | see Simirsky, Kabo, et al., 1987 |
Reaction thermochemistry data
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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:
B - John E. Bartmess
ALS - 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
C3H7N2O- + =
By formula: C3H7N2O- + H+ = C3H8N2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 361.8 ± 2.5 | kcal/mol | G+TS | Taft, 1987 | gas phase; value altered from reference due to change in acidity scale; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 354.8 ± 2.4 | kcal/mol | IMRE | Taft, 1987 | gas phase; value altered from reference due to change in acidity scale; B |
By formula: CH2O + C3H8N2O = C4H10N2O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -4.8 ± 0.2 | kcal/mol | Kin | Perepelkova, Igranova, et al., 1981 | liquid phase; solvent: Phosphate buffer; ALS |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Taft, 1987
Taft, R.W.,
The Nature and Analysis of Substitutent Electronic Effects,
Personal communication. See also Prog. Phys. Org. Chem., 1987, 16, 1. [all data]
Perepelkova, Igranova, et al., 1981
Perepelkova, T.I.; Igranova, E.G.; Moiseev, V.D.; Demchenko, L.Ya.; Zhuravleva, I.I.,
Calorimetric study of the methylolation of 1,1-dimethylurea,
Khim. Promst. Ser. Proizvod. Pererab. Plastmass Sint. Smol, 1981, 15-18. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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