Urethane

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase ion energetics data

Go To: Top, 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:
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
Δr1514. ± 9.6kJ/molG+TSTaft, 1987gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Δr1485. ± 9.2kJ/molIMRETaft, 1987gas phase; value altered from reference due to change in acidity scale; B

References

Go To: Top, 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.

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

Go To: Top, Gas phase ion energetics data, References