Butane, 2,3-dimethyl-2,3-dinitro-
- Formula: C6H12N2O4
- Molecular weight: 176.1705
- IUPAC Standard InChIKey: DWCLXOREGBLXTD-UHFFFAOYSA-N
- 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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Condensed phase thermochemistry data
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | -311. ± 1. | kJ/mol | Ccb | Lebedeva and Ryadnenko, 1968 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -3765. ± 1. | kJ/mol | Ccb | Lebedeva and Ryadnenko, 1968 | |
ΔcH°solid | -3855.1 ± 6.7 | kJ/mol | Ccb | Miller and Hunt, 1945 | Reanalyzed by Cox and Pilcher, 1970, Original value = -3858. ± 6.7 kJ/mol |
Phase change data
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), 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: William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔsubH° | 79.5 ± 0.8 | kJ/mol | N/A | Miroshnichenko and Vorob'eva, 1999 |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
85. ± 2. | 303. to 330. | ME | Smirnov, Matiushin, et al., 1994 | See also Jones, Lightfoot, et al., 2002. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference |
---|---|---|
8.8 | 473. | Jones, Lightfoot, et al., 2002 |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change 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
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW-6356 |
NIST MS number | 235165 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change 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.
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]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- 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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