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:
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas Chromatography
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Phase change 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: Robert L. Brown and Stephen E. Stein

Reduced pressure boiling point

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

References

Go To: Top, Phase change 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.

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

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]

Notes

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

• Symbols used in this document:
  

  AE	Appearance energy
  Tboil	Boiling point

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