Propanoic acid, 2-chloro-

• Formula: C₃H₅ClO₂
• Molecular weight: 108.524
• IUPAC Standard InChI: InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6) Copy

  
• IUPAC Standard InChIKey: GAWAYYRQGQZKCR-UHFFFAOYSA-N Copy
• CAS Registry Number: 598-78-7
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Stereoisomers:
  • (S)-(-)-2-Chloropropionic acid
• Other names: Propionic acid, 2-chloro-; α-Chloropropionic acid; 2-Chloropropanoic acid; 2-Chloropropionic acid; 2-chloroproprionic acid; Propionic acid, α-chloro-; α-Monochloropropionic acid
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• Information on this page:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • IR Spectrum
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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 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

C₃H₄ClO₂^- +  =

By formula: C₃H₄ClO₂^- + H⁺ = C₃H₅ClO₂

Mass spectrum (electron ionization)

Go To: Top, Gas phase ion energetics data, References, Notes

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

References

Go To: Top, 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.

Holmes, Burgers, et al., 1983
Holmes, J.L.; Burgers, P.C.; Terlouw, J.K.; Schwarz, H.; Ciommer, B.; Halim, H., Stable C₂H₅X⁺ (X = Cl, Br) radical cations of structure [CH₃CHXH⁺]: Their energetics and dissociation characteristics, Org. Mass Spectrom., 1983, 18, 208. [all data]

Caldwell, Renneboog, et al., 1989
Caldwell, G.; Renneboog, R.; Kebarle, P., Gas Phase Acidities of Aliphatic Carboxylic Acids, Based on Measurements of Proton Transfer Equilibria, Can. J. Chem., 1989, 67, 4, 661, https://doi.org/10.1139/v89-092 . [all data]

Stein, Rikkers, et al.
Stein, S.E.; Rikkers, J.M.; Brown, R.L., NIST Structure anmd Properties Database and Estimation Program, Ver. 1.1, NIST Standard Reference Database 25. [all data]

Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P., Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A), Can. J. Chem., 1978, 56, 1. [all data]

Notes

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