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
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase ion energetics data
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Phase change data
  • Mass spectrum (electron ionization)
• Options:
  • Switch to SI units

Gas phase ion energetics data

Go To: Top, Gas Chromatography, 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: Sharon G. Lias and Joel F. Liebman

Appearance energy determinations

Gas Chromatography

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

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

View large format table.

References

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

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, Gas Chromatography, References

• Symbols used in this document:
  

  AE	Appearance energy

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.