Benzene, 1,2,4,5-tetrabromo-

• Formula: C₆H₂Br₄
• Molecular weight: 393.696
• IUPAC Standard InChI: InChI=1S/C6H2Br4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H Copy

  
• IUPAC Standard InChIKey: QCKHVNQHBOGZER-UHFFFAOYSA-N Copy
• CAS Registry Number: 636-28-2
• 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: 1,2,4,5-Tetrabromobenzene; 2,3,5,6-Tetrabromobenzene
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • 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 as indicated in comments:
AC - William E. Acree, Jr., James S. Chickos
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing

Enthalpy of fusion

Entropy of fusion

Enthalpy of phase transition

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

IR Spectrum

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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

Gas Phase Spectrum

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Additional Data

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, IR Spectrum, 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.

Kuramochi, Maeda, et al., 2004
Kuramochi, Hidetoshi; Maeda, Kouji; Kawamoto, Katsuya, Measurements of Water Solubilities and 1-Octanol/Water Partition Coefficients and Estimations of Henry's Law Constants for Brominated Benzenes, J. Chem. Eng. Data, 2004, 49, 3, 720-724, https://doi.org/10.1021/je0342724 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Mondieig, Cuevas-Kiarte, et al., 1989
Mondieig, D.; Cuevas-Kiarte, M.A.; Haget, Y., Polymorphisme du tetrachloro-1,2,4,5-benzene et du tetrabromo-1,2,4,5-benzene, J. Therm. Anal., 1989, 35(7), 2491-2500. [all data]

Mondieig, Housty, et al., 1987
Mondieig, D.; Housty, J.R.; Haget, Y., The Guinier-Lenne method in DSC. Polymorphysm of tetrasubstituted derivatives of benzene and their mixtures, Calorim. Anal. Therm., 1987, 18, 269-275. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Notes

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

• Symbols used in this document:
  

  ΔHtrs	Enthalpy of phase transition
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion

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