Cyclopropanecarboxylic acid, methyl ester

• Formula: C₅H₈O₂
• Molecular weight: 100.1158
• IUPAC Standard InChI: InChI=1S/C5H8O2/c1-7-5(6)4-2-3-4/h4H,2-3H2,1H3 Copy

  
• IUPAC Standard InChIKey: PKAHQJNJPDVTDP-UHFFFAOYSA-N Copy
• CAS Registry Number: 2868-37-3
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Methyl cyclopropanecarboxylate; Methyl cyclopropylcarboxylate
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• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
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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

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

Appearance energy determinations

De-protonation reactions

C₅H₇O₂^- +  =

By formula: C₅H₇O₂^- + H⁺ = C₅H₈O₂

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]

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 ion energetics data, References

• Symbols used in this document:
  

  AE	Appearance energy
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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