Methane, bromotrinitro-

• Formula: CBrN₃O₆
• Molecular weight: 229.931
• IUPAC Standard InChI: InChI=1S/CBrN3O6/c2-1(3(6)7,4(8)9)5(10)11 Copy

  
• IUPAC Standard InChIKey: KWSSHZBBUQSMKF-UHFFFAOYSA-N Copy
• CAS Registry Number: 560-95-2
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Bromotrinitromethane; Bromopicrin
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• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
• Data at other public NIST sites:
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Gas phase 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

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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

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

 + 218.5 + 11.25 +  =  + 13 + 1.5

By formula: CBrN₃O₆ + 218.5H₂O + 11.25O₂ + C₁₂H₁₄O₄ = HBr + 13CO₂ + 1.5N₂

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, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry 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.

Pepekin and Korsunskii, 1995
Pepekin, V.I.; Korsunskii, B.L., Thermochemistry of halopolynitroalkanes, Dokl. Phys. Chem. (Engl. Transl.), 1995, 340, 14-16, In original 342. [all data]

Carpenter, Zimmer, et al., 1970
Carpenter, G.A.; Zimmer, M.F.; Baroody, E.E.; Robb, R.A., Enthalpy of formation of bromotrinitromethane, J. Chem. Eng. Data, 1970, 15, 553-556. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Baroody, Carpenter, et al., 1970
Baroody, Edward E.; Carpenter, George A.; Zimmer, Martin F.; Robb, Robert A., Enthalpy of formation of bromotrinitromethane, J. Chem. Eng. Data, 1970, 15, 4, 553-556, https://doi.org/10.1021/je60047a037 . [all data]

Notes

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

• Symbols used in this document:
  

  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔvapH	Enthalpy of vaporization
  ΔvapH°	Enthalpy of vaporization at standard conditions

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