Butane, 2,3-dimethyl-2,3-dinitro-

• Formula: C₆H₁₂N₂O₄
• Molecular weight: 176.1705
• IUPAC Standard InChI: InChI=1S/C6H12N2O4/c1-5(2,7(9)10)6(3,4)8(11)12/h1-4H3 Copy

  
• IUPAC Standard InChIKey: DWCLXOREGBLXTD-UHFFFAOYSA-N Copy
• CAS Registry Number: 3964-18-9
• 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: 2,3-Dimethyl-2,3-dinitrobutane; 2,3-Dimethyl-2,3-dinitro-n-butane
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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Condensed 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 by: William E. Acree, Jr., James S. Chickos

Enthalpy of sublimation

Enthalpy of fusion

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, temperature ramp

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References

Go To: Top, Condensed phase thermochemistry data, Phase change 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.

Lebedeva and Ryadnenko, 1968
Lebedeva, N.D.; Ryadnenko, V.L., Heats of combustion and formation of polynitroalkanes, Russ. J. Phys. Chem. (Engl. Transl.), 1968, 42, 1225-1227. [all data]

Miller and Hunt, 1945
Miller, A.J.; Hunt, H., Heats of combustion. III The heats of combustion of some polynitroparaffins, J. Phys. Chem., 1945, 49, 20-21. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Miroshnichenko and Vorob'eva, 1999
Miroshnichenko, E.O.; Vorob'eva, V.P., Thermochemical characteristics of nitroalkanes, Zh. Fiz. Khim., 1999, 73, 3, 419. [all data]

Smirnov, Matiushin, et al., 1994
Smirnov, S.P.; Matiushin, Y.N.; Akmetov, I.Z., , Conf. International Civil Aviation Organization, 14-18 February, paper No. AH-DE/8-WP/12, Montreal, Canada, 1994. [all data]

Jones, Lightfoot, et al., 2002
Jones, D.E.G.; Lightfoot, P.D.; Fouchard, R.C.; Kwok, Q.S.M., Thermal properties of DMNB, a detection agent for explosives, Thermochimica Acta, 2002, 388, 1-2, 159-173, https://doi.org/10.1016/S0040-6031(02)00033-3 . [all data]

Harvey and Wenzel, 2009
Harvey, S.D.; Wenzel, T.J., Selective retention of explosives and related compounds on gas-chromatographic capillary columns coated with lanthanide(III) beta-diketonate polymers, J. Chromatogr. A, 2009, 1216, 36, 6417-6423, https://doi.org/10.1016/j.chroma.2009.07.008 . [all data]

Notes

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• Symbols used in this document:
  

  ΔcH°solid	Enthalpy of combustion of solid at standard conditions
  ΔfH°solid	Enthalpy of formation of solid at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions

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