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
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • IR Spectrum
  • Mass spectrum (electron ionization)
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  • 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

References

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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, 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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