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Propylene oxide

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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:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

View reactions leading to C3H6O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.22 ± 0.02eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)803.3kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity772.7kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.1PEAue and Bowers, 1979LLK
10.22 ± 0.02PIWatanabe, Nakayama, et al., 1962RDSH
10.44PEKimura, Katsumata, et al., 1981Vertical value; LLK
10.26PEMcAlduff and Houk, 1977Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHO+11.8 ± 0.2?EIGallegos and Kiser, 1961RDSH
CH2+18.8 ± 0.5?EIGallegos and Kiser, 1961RDSH
CH2O+11.6 ± 0.3C2H4EIGallegos and Kiser, 1961RDSH
CH3+13.9 ± 0.2?EIGallegos and Kiser, 1961RDSH
CH3O+13.4 ± 0.2?EIGallegos and Kiser, 1961RDSH
C2H2+13.9 ± 0.2?EIGallegos and Kiser, 1961RDSH
C2H2O+12.7 ± 0.2?EIGallegos and Kiser, 1961RDSH
C2H3+14.3 ± 0.1?EIGallegos and Kiser, 1961RDSH
C2H3O+10.72 ± 0.05CH3EIBurgers and Holmes, 1982LBLHLM
C2H3O+10.9 ± 0.2CH3EIGallegos and Kiser, 1961RDSH
C2H4+11.6 ± 0.2?EIGallegos and Kiser, 1961RDSH
C3H5O+11.5 ± 0.3HEIGallegos and Kiser, 1961RDSH

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.

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]

Aue and Bowers, 1979
Aue, D.H.; Bowers, M.T., Chapter 9. Stabilities of positive ions from equilibrium gas phase basicity measurements in Ions Chemistry,, ed. M.T. Bowers, 1979. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

McAlduff and Houk, 1977
McAlduff, E.J.; Houk, K.N., Photoelectron spectra of substituted oxiranes and thiiranes. Substituent effects on ionization potentials involving «sigma» orbitals, Can. J. Chem., 1977, 55, 318. [all data]

Gallegos and Kiser, 1961
Gallegos, E.J.; Kiser, R.W., Electron impact spectroscopy of ethylene oxide and propylene oxide, J. Am. Chem. Soc., 1961, 83, 773. [all data]

Burgers and Holmes, 1982
Burgers, P.C.; Holmes, J.L., Metastable ion studies. XIII. The measurement of appearance energies of metastable peaks, Org. Mass Spectrom., 1982, 17, 123. [all data]


Notes

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