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)192.0kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity184.7kcal/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

Gas Chromatography

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryMethyl Silicone60.447.Cao and Zhang, 2006Column length: 50. m; Column diameter: 0.25 mm
CapillaryMethyl Silicone70.447.Cao and Zhang, 2006Column length: 50. m; Column diameter: 0.25 mm
CapillaryMethyl Silicone80.448.Cao and Zhang, 2006Column length: 50. m; Column diameter: 0.25 mm
PackedApieson L120.460.Kurdina, Markovich, et al., 1969not specified, not specified

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone477.Farkas, Héberger, et al., 2004Program: not specified

References

Go To: Top, Gas phase ion energetics data, Gas Chromatography, 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 σ 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]

Cao and Zhang, 2006
Cao, J.; Zhang, H., Inquire into qualitative analysis of epoxyalkyl isomeride, Contemporary Chem. Ind. (Chinese), 2006, 35, 5, 374-377. [all data]

Kurdina, Markovich, et al., 1969
Kurdina, Z.G.; Markovich, V.E.; Sakharov, V.M., Gas chromatography of cyclic O-containing compounds in Gas chromatography, Issue # 10, NIITEKhim, Moscow, 1969, 128-133. [all data]

Farkas, Héberger, et al., 2004
Farkas, O.; Héberger, K.; Zenkevich, I.G., Quantitative structure-retention relationships. XIV. Prediction of gas chromatographic retention indices for saturated O-, N-, and S-heterocyclic compounds, Chemom. Intell. Lab. Syst., 2004, 72, 2, 173-184, https://doi.org/10.1016/j.chemolab.2004.01.012 . [all data]


Notes

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