2-Azetidinone


Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tfus346. to 347.KN/ABuckingham and Donaghy, 1982BS
Quantity Value Units Method Reference Comment
Δsub77.4 ± 0.3kJ/molVRoux, Jimenez, et al., 1996ALS
Δsub77.4 ± 0.3kJ/molMERoux, Jimenez, et al., 1996AC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
379.20.020Weast and Grasselli, 1989BS
379.0.020Buckingham and Donaghy, 1982BS

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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

View reactions leading to C3H5NO+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)852.6kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity821.7kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.78PETreschanke and Rademacher, 1985LBLHLM

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.

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]

Roux, Jimenez, et al., 1996
Roux, M.V.; Jimenez, P.; Davalos, J.Z.; Castano, O.; Molina, M.T.; Notario, R.; Herreros, M.; Abboud, J.-L.M., The first direct experimental determination of strain in neutral and protonated 2-azetidinone, J. Am. Chem. Soc., 1996, 118, 12735-12737. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Treschanke and Rademacher, 1985
Treschanke, L.; Rademacher, P., Electronic structure and conformational properties of the amide linkage, J. Mol. Struct., 1985, 122, 47. [all data]


Notes

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