2-Piperidinone, 1-methyl-

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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

o-Methylvalerolactim = 2-Piperidinone, 1-methyl-

By formula: C6H11NO = C6H11NO

Quantity Value Units Method Reference Comment
Δr-73. ± 2.kJ/molCisoBeak, Bonham, et al., 1968liquid phase
Δr-59.0 ± 8.4kJ/molCisoBeak, Bonham, et al., 1968liquid phase; Gas phase isomerization

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 C6H11NO+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)924.4kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity892.6kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.92PETreschanke and Rademacher, 1985Vertical value; LBLHLM

References

Go To: Top, Reaction thermochemistry data, 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.

Beak, Bonham, et al., 1968
Beak, P.; Bonham, J.; Lee, J.T., Jr., Equilibration studies. The energy differences for some six-membered heterocyclic methyl amide-imidate isomer paris, J. Am. Chem. Soc., 1968, 90, 1569-1582. [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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