Benzene, 1-isocyanato-3-methyl-


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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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Individual Reactions

1-Butanamine, N-butyl- + Benzene, 1-isocyanato-3-methyl- = C16H26N2O

By formula: C8H19N + C8H7NO = C16H26N2O

Quantity Value Units Method Reference Comment
Δr-103.3 ± 0.8kJ/molCmKiselev, Malkov, et al., 1989liquid phase; solvent: Dioxane

Urea, N,N'-bis(3-methylphenyl)- = Benzenamine, 3-methyl- + Benzene, 1-isocyanato-3-methyl-

By formula: C15H16N2O = C7H9N + C8H7NO

Quantity Value Units Method Reference Comment
Δr126.2 ± 1.7kJ/molEqkChimishkyan, Svetlova, et al., 1984solid phase; Dissociation

N,N-Dimethyl-N'-m-methylphenylurea = Dimethylamine + Benzene, 1-isocyanato-3-methyl-

By formula: C10H14N2O = C2H7N + C8H7NO

Quantity Value Units Method Reference Comment
Δr109.9kJ/molEqkChimishkyan, Svetlova, et al., 1984solid phase; Dissociation

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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
8.7 ± 0.1PENeijzen and DeLange, 1980Vertical value
8.83PEKobayashi and Nagakura, 1975Vertical value

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.

Kiselev, Malkov, et al., 1989
Kiselev, V.D.; Malkov, V.B.; Murzin, D.G.; Shakirov, I.M.; Konovalov, A.I., Thermochemical study of the reaction of isocyanate with amines, Dokl. Phys. Chem. (Engl. Transl.), 1989, 308, 711-713, In original 111. [all data]

Chimishkyan, Svetlova, et al., 1984
Chimishkyan, A.L.; Svetlova, L.P.; Leonova, T.V.; Gluyaev, N.D., Thermal decomposition of substituted ureas, J. Gen. Chem. USSR, 1984, 54, 1317-1320. [all data]

Neijzen and DeLange, 1980
Neijzen, B.J.M.; DeLange, C.A., Photoelectron spectroscopy of some thiocyanates, isocyanates and isothiocyanates, J. Electron Spectrosc. Relat. Phenom., 1980, 18, 179. [all data]

Kobayashi and Nagakura, 1975
Kobayashi, T.; Nagakura, S., Photoelectron spectra of phenyl isocyanates and phenyl isothio- cyanate, J. Electron Spectrosc. Relat. Phenom., 1975, 7, 488. [all data]


Notes

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