Benzenamine, 2,4,6-trinitro-
- Formula: C6H4N4O6
- Molecular weight: 228.1192
- IUPAC Standard InChI: InChI=1S/C6H4N4O6/c7-6-4(9(13)14)1-3(8(11)12)2-5(6)10(15)16/h1-2H,7H2
- IUPAC Standard InChIKey: IAHOUQOWMXVMEH-UHFFFAOYSA-N
- CAS Registry Number: 489-98-5
- 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: Aniline, 2,4,6-trinitro-; Picramide; 2,4,6-Trinitroaniline
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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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -17.4 | kcal/mol | Ccb | Medard and Thomas, 1949 | Author was aware that data differs from previously reported values; Author's hf298_condensed=-20.2 kcal/mol |
| ΔfH°solid | -27.69 | kcal/mol | Ccb | Rinkenbach, 1930 | Author hf298_condensed[kcal/mol]=-29.95 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -683.57 | kcal/mol | Ccb | Medard and Thomas, 1949 | Author was aware that data differs from previously reported values; Author's hf298_condensed=-20.2 kcal/mol |
| ΔcH°solid | -673.249 | kcal/mol | Ccb | Rinkenbach, 1930 | Author hf298_condensed[kcal/mol]=-29.95 |
Phase change data
Go To: Top, Condensed phase thermochemistry data, Gas Chromatography, 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° | 29.9 ± 0.2 | kcal/mol | ME | Cundall, Frank Palmer, et al., 1978 | Based on data from 326. to 449. K. |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 27.70 | 343. | LE | Stephenson and Malanowski, 1987 | Based on data from 328. to 371. K. See also Rosen and Dickinson, 1969. |
Gas Chromatography
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
Lee's RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5MS | 337.56 | Chen, Keeran, et al., 2002 | 30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 10. K/min; Tend: 310. C |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Medard and Thomas, 1949
Medard, L.; Thomas, M.,
Determinations calorimetriques concernant dix-huit derives nitres ou nitrates organiques.,
Mem. Poudres, 1949, 29, 173-195. [all data]
Rinkenbach, 1930
Rinkenbach, W.H.,
The heats of combustion and formation of aromatic nitro compounds,
J. Am. Chem. Soc., 1930, 52, 115-120. [all data]
Cundall, Frank Palmer, et al., 1978
Cundall, Robert B.; Frank Palmer, T.; Wood, Colin E.C.,
Vapour pressure measurements on some organic high explosives,
J. Chem. Soc., Faraday Trans. 1, 1978, 74, 0, 1339, https://doi.org/10.1039/f19787401339
. [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]
Rosen and Dickinson, 1969
Rosen, Jerome M.; Dickinson, Charles,
Vapor pressures and heats of sublimation of some high-melting organic explosives,
J. Chem. Eng. Data, 1969, 14, 1, 120-124, https://doi.org/10.1021/je60040a044
. [all data]
Chen, Keeran, et al., 2002
Chen, P.H.; Keeran, W.S.; Van Ausdale, W.A.; Schindler, D.R.; Roberts, D.W.,
Application of Lee retention indices to the confirmation of tentatively identified compounds from GC/MS analysis of environmental samples, Technical paper, Analytical Services Division, Environmental ScienceEngineering, Inc, PO Box 1703, Gainesville, FL 32602, 2002, 11. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, 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 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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