Benzene, 1-methyl-2,4-dinitro-
- Formula: C7H6N2O4
- Molecular weight: 182.1335
- IUPAC Standard InChI: InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3
- IUPAC Standard InChIKey: RMBFBMJGBANMMK-UHFFFAOYSA-N
- CAS Registry Number: 121-14-2
- 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, 2,4-dinitro-; 2,4-Dinitrotoluene; 2,4-DNT; 1-Methyl-2,4-Dinitrobenzene; 2,4-Dinitrotoluol; NCI-C01865; Rcra waste number U105; Dinitrotoluol; 6-Methyl-1,3-dinitrobenzene; 4-Methyl-1,3-dinitrobenzene; NSC 7194
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Condensed phase thermochemistry data
Go To: Top, IR Spectrum, 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 | -66.4 ± 3.0 | kJ/mol | Ccb | Lenchitz, Velicky, et al., 1971 | Reanalyzed by Cox and Pilcher, 1970, Original value = -64.3 ± 3.1 kJ/mol; ALS |
| ΔfH°solid | -40. | kJ/mol | Ccb | Taylor, Hall, et al., 1947 | At 293 °K, corrected hf; ALS |
| ΔfH°solid | -29.0 | kJ/mol | Ccb | Schmidt and Becker, 1933 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -3560. ± 30. | kJ/mol | AVG | N/A | Average of 6 values; Individual data points |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 255. | 325. | David, 1964 | T = 298 to 340 K. Mean value. T = uncertain.; DH |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, References, Notes
Data compiled by: Timothy J. Johnson, Tanya L. Myers, Yin-Fong Su, Russell G. Tonkyn, Molly Rose K. Kelly-Gorham, and Tyler O. Danby
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
References
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Lenchitz, Velicky, et al., 1971
Lenchitz, C.; Velicky, R.W.; Silvestro, G.; Schlosberg, L.P.,
Thermodynamic properties of several nitrotoluenes,
J. Chem. Thermodyn., 1971, 3, 689-692. [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]
Taylor, Hall, et al., 1947
Taylor, J.; Hall, C.R.L.; Thomas, H.,
The thermochemistry of propellent explosives,
J. Phys. Colloid Chem., 1947, 51, 580-592. [all data]
Schmidt and Becker, 1933
Schmidt, V.A.; Becker, F.,
Die Bildungswarme von Nitrocellulofen, Nitroglycerin und anderen widuigen Beltandteilen von Treibmitteln,
Z. Gesamte Schiess Sprengstoffwes., 1933, 33, 280-282. [all data]
David, 1964
David, D.J.,
Determination of specific heat and heat of fusion by differential thermal analysis. Study of theory and operating parameters,
Anal. Chem., 1964, 36, 2162-2166. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, 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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