1-Butene, 4-bromo-

• Formula: C₄H₇Br
• Molecular weight: 135.002
• IUPAC Standard InChI: InChI=1S/C4H7Br/c1-2-3-4-5/h2H,1,3-4H2 Copy

  
• IUPAC Standard InChIKey: DMAYBPBPEUFIHJ-UHFFFAOYSA-N Copy
• CAS Registry Number: 5162-44-7
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: 1-Bromo-3-butene; 3-Butenyl bromide; 4-Bromo-1-butene; 4-Bromobutene; 4-Bromobutene-(1); Homoallyl bromide; 4-bromobut-1-ene
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• Information on this page:
  • Phase change data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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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

Reaction thermochemistry 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

=

By formula: C₄H₇Br = C₄H₇Br

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, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

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

Normal alkane RI, non-polar column, custom temperature program

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References

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, 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]

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]

Shishinova, Levanova, et al., 1978
Shishinova, V.I.; Levanova, S.V.; Shevtsova, L.A.; Rozhnov, A.M.; Kudryavtsev, V.A., Thermodynamic functions of bromobutenes, Russ. J. Phys. Chem. (Engl. Transl.), 1978, 52, 270-271. [all data]

Shishinova, Levanova, et al., 1977
Shishinova, V.I.; Levanova, S.V.; Shevtsova, L.A.; Rozhnov, A.M.; Kudryavtsev, V.A., Thermodynamic functions of bromobutenes, Deposited Doc., 1977, 1-6. [all data]

Tomer, Turk, et al., 1972
Tomer, K.B.; Turk, J.; Shapiro, R.H., Anchimeric assistance in electron-impact reactions: Homoallylic systems, Org. Mass Spectrom., 1972, 6, 235. [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  Tboil	Boiling point
  ΔrH°	Enthalpy of reaction at standard conditions

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