Benzene, 1-methyl-3,5-dinitro-
- Formula: C7H6N2O4
- Molecular weight: 182.1335
- IUPAC Standard InChI: InChI=1S/C7H6N2O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3
- IUPAC Standard InChIKey: RUIFULUFLANOCI-UHFFFAOYSA-N
- CAS Registry Number: 618-85-9
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Toluene, 3,5-dinitro-; 3,5-Dinitrotoluene; 3,5-DNT; 1-Methyl-3,5-dinitrobenzene
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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 |
|---|---|---|---|---|---|
| ΔcH°solid | -3569. | kJ/mol | Ccb | Garner and Abernethy, 1921 |
Phase change data
Go To: Top, Condensed phase thermochemistry 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 as indicated in comments:
AC - William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 62.6 | 508. | A | Stephenson and Malanowski, 1987 | Based on data from 493. to 543. K. See also Maksimov, 1968.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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| Temperature (K) | A | B | C | Reference | Comment |
|---|---|---|---|---|---|
| 493. to 543. | 3.89901 | 1765.196 | -137.706 | Maksimov, 1968, 2 | Coefficents calculated by NIST from author's data. |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
Maksimov, 1968
Maksimov, Y.Y.,
Russ. J. Phys. Chem., 1968, 42, 11, 1550. [all data]
Maksimov, 1968, 2
Maksimov, Yu,
Steam Pressures of Nitroaromatic Compouds at Different Temperatures,
Zh. Fiz. Khim., 1968, 42, 2921-2925. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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