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Formic acid, propyl ester

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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

View reactions leading to C4H8O2+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.54 ± 0.05eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)804.9kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity773.9kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.3 ± 0.2CEMSJalonen, Tedder, et al., 1980LLK
10.50 ± 0.05PEBenoit, Harrison, et al., 1977LLK
10.50PEBenoit and Harrison, 1977LLK
10.62PESweigart and Turner, 1972LLK
10.54 ± 0.01PIWatanabe, Nakayama, et al., 1962RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHO+11.56 ± 0.06?EIBrion and Dunning, 1963RDSH
CHO2+12.34 ± 0.04C3H7EIBrion and Dunning, 1963RDSH
CH3+11.94 ± 0.02?EIBrion and Dunning, 1963RDSH
CH3O+11.10 ± 0.05C2H5+COEISelim and Helal, 1981LLK
CH3O+11.9 ± 0.3?CEMSJalonen, Tedder, et al., 1980LLK
CH3O2+10.7 ± 0.2?CEMSJalonen, Tedder, et al., 1980LLK
CH3O2+10.45 ± 0.05CH2=CHCH2EIBenoit, Harrison, et al., 1977LLK
CH3O2+11.0 ± 0.1?EIMunson and Franklin, 1964RDSH
C3H6+10.7 ± 0.2HCOOHCEMSJalonen, Tedder, et al., 1980LLK
C3H7+11.63 ± 0.05?EIBrion and Dunning, 1963RDSH
C3H7O+11.0 ± 0.1HCOCEMSJalonen, Tedder, et al., 1980LLK


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]

Jalonen, Tedder, et al., 1980
Jalonen, J.; Tedder, J.M.; Nidaud, P.H., Charge-exchange mass spectra of ethyl acetate, methyl proprionate and propyl formate, J. Chem. Soc. Faraday Trans. 2, 1980, 76, 1450. [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]

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]

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]

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]

Selim and Helal, 1981
Selim, E.T.M.; Helal, A.I., Heat of formation of CH2=OH+ fragment ion, Indian J. Pure Appl. Phys., 1981, 19, 977. [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]


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