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Ethyl formate

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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:
LL - Sharon G. Lias and Joel F. Liebman
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 C3H6O2+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.61 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)191.1kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity183.7kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.61 ± 0.05PIPECOZha, Nishimura, et al., 1992LL
10.61 ± 0.05PEBenoit, Harrison, et al., 1977LLK
10.62PESweigart and Turner, 1972LLK
10.61 ± 0.01PIWatanabe, Nakayama, et al., 1962RDSH
10.61PEBenoit and Harrison, 1977Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHO+12.7H2O+C2H3EIHolmes, Mommers, et al., 1985LBLHLM
CHO+11.39 ± 0.01?EIBrion and Dunning, 1963RDSH
CH3+11.07 ± 0.04?EIBrion and Dunning, 1963RDSH
CH3O+11.89 ± 0.07CH3+COPIPECOZha, Nishimura, et al., 1992LL
CH3O+12.0 ± 0.1?EIVanRaalte and Harrison, 1963RDSH
CH3O2+11.37 ± 0.08C2H3PIPECOZha, Nishimura, et al., 1992LL
CH3O2+11.02 ± 0.05C2H3EIHolmes and Lossing, 1984LBLHLM
CH3O2+10.9 ± 0.05C2H3EIBenoit, Harrison, et al., 1977LLK
CH3O2+11.3 ± 0.1?EIMunson and Franklin, 1964RDSH
CH3O2+11.6 ± 0.1?EIVanRaalte and Harrison, 1963RDSH
C2H2+14.9?EIKing and Long, 1958RDSH
C2H3+15.0?EIKing and Long, 1958RDSH
C2H3O+12.2?EIKing and Long, 1958RDSH
C2H3O2+11.60 ± 0.16CH3PIPECOZha, Nishimura, et al., 1992LL
C2H3O2+11.5 ± 0.1CH3EIGodbole and Kebarle, 1962RDSH
C2H4+10.89 ± 0.05CH2O2PIPECOZha, Nishimura, et al., 1992LL
C2H4+11.2?EIKing and Long, 1958RDSH
C2H5+11.28 ± 0.25HCO2PIPECOZha, Nishimura, et al., 1992LL
C2H5+12.0?EIKing and Long, 1958RDSH
C2H5O+11.40 ± 0.08CHOPIPECOZha, Nishimura, et al., 1992LL
C2H5O+11.34CHO?EIHaney and Franklin, 1969RDSH
C3H4O+10.79 ± 0.05H2OPIPECOZha, Nishimura, et al., 1992LL
C3H5O2+11.1 ± 0.1HEIGodbole and Kebarle, 1962RDSH
H3O+11.8C2H3+COEIHolmes, Mommers, et al., 1985LBLHLM

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]

Zha, Nishimura, et al., 1992
Zha, Q.; Nishimura, T.; Meisels, G.G., Unimolecular dissociation of energy-selected ethyl formate ions, Int. J. Mass Spectrom. Ion Processes, 1992, 120, 85. [all data]

Benoit, Harrison, et al., 1977
Benoit, F.M.; Harrison, A.G.; Lossing, F.P., Hydrogen migrations in mass spectrometry III-Energetics of formation of [R'CO2H2]+ in the mass spectra of R'CO2R, Org. Mass Spectrom., 1977, 12, 78. [all data]

Sweigart and Turner, 1972
Sweigart, D.A.; Turner, D.W., Lone pair orbitals and their interactions studied by photoelectron spectroscopy. I. Carboxylic acids and their derivatives, J. Am. Chem. Soc., 1972, 94, 5592. [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]

Benoit and Harrison, 1977
Benoit, F.M.; Harrison, A.G., Predictive value of proton affinity. Ionization energy correlations involving oxygenated molecules, J. Am. Chem. Soc., 1977, 99, 3980. [all data]

Holmes, Mommers, et al., 1985
Holmes, J.; Mommers, A.; DeKoster, C.; Heerma, W.; Terlouw, J., Four isomeric [C,H3,O2] ions, Chem. Phys. Lett., 1985, 115, 437. [all data]

Brion and Dunning, 1963
Brion, C.E.; Dunning, W.J., Electron impact studies of simple carboxylic esters, J. Chem. Soc. Faraday Trans., 1963, 59, 647. [all data]

VanRaalte and Harrison, 1963
VanRaalte, D.; Harrison, A.G., Ionization and dissociation of formate esters by electron impact, Can. J. Chem., 1963, 41, 2054. [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]

Munson and Franklin, 1964
Munson, M.S.B.; Franklin, J.L., Energetics of some gaseous oxygenated organic ions, J. Phys. Chem., 1964, 68, 3191. [all data]

King and Long, 1958
King, A.B.; Long, F.A., Mass spectra of some simple esters and their interpretation by quasi-equilibrium theory, J. Chem. Phys., 1958, 29, 374. [all data]

Godbole and Kebarle, 1962
Godbole, E.W.; Kebarle, P., Ionization and dissociation of deuterated ethyl and isopropyl acetates and ethyl formate under electron impact, J. Chem. Soc. Faraday Trans., 1962, 58, 1897. [all data]

Haney and Franklin, 1969
Haney, M.A.; Franklin, J.L., Excess energies in mass spectra of some oxygen-containing organic compounds, J. Chem. Soc. Faraday Trans., 1969, 65, 1794. [all data]


Notes

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