Propanoic acid, 3-bromo-

• Formula: C₃H₅BrO₂
• Molecular weight: 152.975
• IUPAC Standard InChI: InChI=1S/C3H5BrO2/c4-2-1-3(5)6/h1-2H2,(H,5,6) Copy

  
• IUPAC Standard InChIKey: DHXNZYCXMFBMHE-UHFFFAOYSA-N Copy
• CAS Registry Number: 590-92-1
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Propionic acid, 3-bromo-; β-Bromopropionic acid; 2-Carboxyethyl bromide; 3-Bromopropanoic acid; 3-Bromopropionic acid
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• Information on this page:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Phase change data
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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 by: Sharon G. Lias and Joel F. Liebman

Appearance energy determinations

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

Gas Chromatography

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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

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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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 and Lossing, 1988
Holmes, J.L.; Lossing, F.P., Heats of formation and bond dissociation energies in halogen-substituted methyl and ethyl radicals, J. Am. Chem. Soc., 1988, 110, 7343. [all data]

Suh, Kingsmill, et al., 1993
Suh, D.; Kingsmill, C.A.; Ruttink, P.J.A.; Terlouw, J.K.; Burgers, P., Isomerization and dissociation processes of protonated -propiolactone and related C₃H₅O₂⁺ isomers: a combined experimental and theoretical study, Org. Mass Spectrom., 1993, 28, 1270. [all data]

Tretyakov, 2011
Tretyakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2011. [all data]

Notes

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

• Symbols used in this document:
  

  AE	Appearance energy

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