Benzene, 2-methyl-1,3-dinitro-
- Formula: C7H6N2O4
- Molecular weight: 182.1335
- IUPAC Standard InChI: InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3
- IUPAC Standard InChIKey: XTRDKALNCIHHNI-UHFFFAOYSA-N
- CAS Registry Number: 606-20-2
- 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: Toluene, 2,6-dinitro-; 2,6-Dinitrotoluene; 2,6-Dnt; 1-Methyl-2,6-dinitrobenzene; Rcra waste number U106; 2-Methyl-1,3-dinitro-benzene
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Condensed phase thermochemistry data
Go To: Top, References, Notes
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
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -55.2 ± 2.2 | kJ/mol | Ccb | Barakat and Finch, 1984 | see Finch and Payne, 1990; ALS |
| ΔfH°solid | -41.8 | kJ/mol | Ccb | Medard and Thomas, 1949 | Author's hf298_condensed=-13.4 kcal/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -3556.8 ± 1.0 | kJ/mol | Ccb | Barakat and Finch, 1984 | see Finch and Payne, 1990; ALS |
| ΔcH°solid | -3570.3 | kJ/mol | Ccb | Medard and Thomas, 1949 | Author's hf298_condensed=-13.4 kcal/mol; ALS |
| ΔcH°solid | -3560.9 ± 3.6 | kJ/mol | Ccb | Badoche, 1939 | Reanalyzed by Cox and Pilcher, 1970, Original value = -3563.9 kJ/mol; ALS |
| ΔcH°solid | -3574. | kJ/mol | Ccb | Garner and Abernethy, 1921 | ALS |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 217. | 305. | Finch and Payne, 1990 | T = 305 to 365 K. Unsmoothed experimental datum.; DH |
| 224. | 305. | Finch and Payne, 1990 | T = 305 to 365 K. Unsmoothed experimental datum.; DH |
References
Go To: Top, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Barakat and Finch, 1984
Barakat, A.; Finch, A.,
Thermochemistry of 2,6-dinitrotoluene,
Thermochim. Acta, 1984, 73, 205-208. [all data]
Finch and Payne, 1990
Finch, A.; Payne, J.,
Thermochemical study of 1,6-dinitrotoluene,
Thermochim. Acta, 1990, 164, 55-63. [all data]
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]
Badoche, 1939
Badoche, M.M.,
Determinations des chaleurs de combustion de derives nitres de la serie benzenique,
Bull. Soc. Chim. France, 1939, 6, 570-579. [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]
Garner and Abernethy, 1921
Garner, W.E.; Abernethy, C.L.,
Heats of combustion and formation of nitro-compounds. Part I. - Benzene, toluene, phenol and methylaniline series,
Proc. Roy. Soc. London A, 1921, 213-235. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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