Cyclopropanecarboxylic acid, methyl ester

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Gas phase thermochemistry 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 compiled by: Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Δfgas-304.7 ± 1.5kJ/molN/AGutner, Ryadnenko, et al., 1984Value computed using ΔfHliquid° value of -346±1.5 kj/mol from Gutner, Ryadnenko, et al., 1984 and ΔvapH° value of 41.27±0.06 kj/mol from missing citation.

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

Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Quantity Value Units Method Reference Comment
Proton affinity (review)842.1kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity811.2kJ/molN/AHunter and Lias, 1998HL

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H3O2+10.56 ± 0.05c-C3H5EIBlanchette, Holmes, et al., 1986LBLHLM

De-protonation reactions

C5H7O2- + Hydrogen cation = Cyclopropanecarboxylic acid, methyl ester

By formula: C5H7O2- + H+ = C5H8O2

Quantity Value Units Method Reference Comment
Δr1568. ± 18.kJ/molG+TSSachs and Kass, 1994gas phase; Between tBuOH and HF; B
Quantity Value Units Method Reference Comment
Δr1535. ± 17.kJ/molIMRBSachs and Kass, 1994gas phase; Between tBuOH and HF; B

Mass spectrum (electron ionization)

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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

Spectrum

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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-8560
NIST MS number 238786

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References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Gutner, Ryadnenko, et al., 1984
Gutner, N.M.; Ryadnenko, V.L.; Karpenko, N.A.; Makhinya, E.F.; Kiseleva, N.N., Standard enthalpies of formation of some cyclic derivatives, Probl. Kalorim. Khim. Termodin., Dokl. Vses. Konf., 10th, 1984, 1, 196-198. [all data]

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]

Blanchette, Holmes, et al., 1986
Blanchette, M.C.; Holmes, J.L.; Hop, C.E.C.A.; Lossing, F.P.; Postma, R.; Ruttink, P.J.A.; Terlouw, J.K., Theory and experiment in concert; the CH3O-C=O+ ion and its isomers, J. Am. Chem. Soc., 1986, 108, 7589. [all data]

Sachs and Kass, 1994
Sachs, R.K.; Kass, S.R., 3-Carbomethoxycyclopropen-3-yl Anion - Formation and Characterization of an Antiaromatic Ion, J. Am. Chem. Soc., 1994, 116, 2, 783, https://doi.org/10.1021/ja00081a055 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References