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Urethane

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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:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
10.2PEOverman, Taylor, et al., 1978LLK
10.62PEOverman, Taylor, et al., 1978Vertical value; LLK

De-protonation reactions

C3H6NO2- + Hydrogen cation = Urethane

By formula: C3H6NO2- + H+ = C3H7NO2

Quantity Value Units Method Reference Comment
Deltar1514. ± 9.6kJ/molG+TSTaft, 1987gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar1485. ± 9.2kJ/molIMRETaft, 1987gas phase; value altered from reference due to change in acidity scale; B

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.

Overman, Taylor, et al., 1978
Overman, L.E.; Taylor, G.F.; Houk, K.N.; Domelsmith, L.N., Diels-Alder reactions between trans-1-N-acylamino-1,3-dienes and methyl acrylate. A correlation between diene photoelectron ionization potentials and reactivity, stereoselectivity, and regioselectivity, J. Am. Chem. Soc., 1978, 100, 3182. [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]


Notes

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