Urea, methyl-

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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
Δfgas-56.33 ± 0.20kcal/molCcbKozyro, Kabo, et al., 1993 
Δfgas-55.80 ± 0.24kcal/molCcbKabo, Miroshnichenko, et al., 1990see Simirsky, Kabo, et al., 1987 and Simirskii, Kabo, et al., 1986

Gas phase ion energetics 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:
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 ± 0.05EIBaldwin, Kirkien-Konasiewicz, et al., 1966RDSH
9.66PEDougherty, Wittel, et al., 1976Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH2NO+13.25?EILoudon and Webb, 1977LLK
CH4N+11.65?EILoudon and Webb, 1977LLK

References

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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

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