1-Propene, 3-methoxy-

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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
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C4H8O+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
9.56EIHolmes and Lossing, 1986LBLHLM
9.84 ± 0.05PEMcAlduff, Caramella, et al., 1978Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H5O+10.74 ± 0.05C2H3EIHolmes and Lossing, 1984LBLHLM

De-protonation reactions

C4H7O- + Hydrogen cation = 1-Propene, 3-methoxy-

By formula: C4H7O- + H+ = C4H8O

Quantity Value Units Method Reference Comment
Δr1626. ± 17.kJ/molG+TSDahlke and Kass, 1991gas phase; Between H2O, furan. Reprotonation site uncertain; B
Quantity Value Units Method Reference Comment
Δr1598. ± 17.kJ/molIMRBDahlke and Kass, 1991gas phase; Between H2O, furan. Reprotonation site uncertain; 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.

Holmes and Lossing, 1986
Holmes, J.L.; Lossing, F.P., Title unavailable, Personal communication to S.G. Lias, 1986. [all data]

McAlduff, Caramella, et al., 1978
McAlduff, E.J.; Caramella, P.; Houk, K.N., Photoelectron spectra of 3-substituted cyclopentenes. Correlations between ionization potentials and cycloaddition regioselectivity, J. Am. Chem. Soc., 1978, 100, 105. [all data]

Holmes and Lossing, 1984
Holmes, J.L.; Lossing, F.P., Heats of formation of organic radicals from appearance energies, Int. J. Mass Spectrom. Ion Processes, 1984, 58, 113. [all data]

Dahlke and Kass, 1991
Dahlke, G.D.; Kass, S.R., Substituent Effects in the Gas Phase - 1-Substituted Allyl Anions, J. Am. Chem. Soc., 1991, 113, 15, 5566, https://doi.org/10.1021/ja00015a008 . [all data]


Notes

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