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3-Heptanone

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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 evaluated as indicated in comments:
L - 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
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)9.15 ± 0.09eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
9.18PITraeger and McAdoo, 1986LBLHLM
9.26EIHolmes, Fingas, et al., 1981LLK
9.02 ± 0.02PEAshmore and Burgess, 1978LLK
9.15 ± 0.02PECocksey, Eland, et al., 1971LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H3O+11.29C2H5+C3H6PITraeger and McAdoo, 1986LBLHLM
C2H3O+11.8 ± 0.1C2H5+C3H6EILifshitz, Berger, et al., 1983LBLHLM
C4H8O+9.82C3H6EIHolmes and Lossing, 1980LLK
C4H8O+10.3 ± 0.3C3H6EIYeo and Williams, 1969RDSH
C5H9O+10.8 ± 0.3C2H5EIYeo and Williams, 1969RDSH

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.

Traeger and McAdoo, 1986
Traeger, J.C.; McAdoo, D.J., Decomposition thresholds and associated translational energy releases for eight C4H8O+ isomers, Int. J. Mass Spectrom. Ion Processes, 1986, 68, 35. [all data]

Holmes, Fingas, et al., 1981
Holmes, J.L.; Fingas, M.; Lossing, F.P., Towards a general scheme for estimating the heats of formation of organic ions in the gas phase. Part I. Odd-electron cations, Can. J. Chem., 1981, 59, 80. [all data]

Ashmore and Burgess, 1978
Ashmore, F.S.; Burgess, A.R., Photoelectron spectra of the unbranched C5-C7 alkenes, aldehydes and ketones, J. Chem. Soc. Faraday Trans. 2, 1978, 74, 734. [all data]

Cocksey, Eland, et al., 1971
Cocksey, B.J.; Eland, J.H.D.; Danby, C.J., The effect of alkyl substitution on ionisation potential, J. Chem. Soc., 1971, (B), 790. [all data]

Lifshitz, Berger, et al., 1983
Lifshitz, C.; Berger, P.; Tzidony, E., Kinetic energy release distributions (KERDs) for the dissociation of metastable enol ions, Chem. Phys. Lett., 1983, 95, 109. [all data]

Holmes and Lossing, 1980
Holmes, J.L.; Lossing, F.P., Gas-phase heats of formation of keto and enol ions of carbonyl compounds., J. Am. Chem. Soc., 1980, 102, 1591. [all data]

Yeo and Williams, 1969
Yeo, A.N.H.; Williams, D.H., Internal hydrogen rearrangement as a function of ion lifetime in the mass spectra of aliphatic ketones, J. Am. Chem. Soc., 1969, 91, 3582. [all data]


Notes

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