Benzene, 1-methyl-2,4,5-trinitro-
- Formula: C7H5N3O6
- Molecular weight: 227.1311
- IUPAC Standard InChI: InChI=1S/C7H5N3O6/c1-4-2-6(9(13)14)7(10(15)16)3-5(4)8(11)12/h2-3H,1H3
- IUPAC Standard InChIKey: FZJGZCSVWGKDAK-UHFFFAOYSA-N
- CAS Registry Number: 610-25-3
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Toluene, 2,4,5-trinitro-; 2,4,5-Trinitrotoluene
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Phase change 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 as indicated in comments:
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Enthalpy of fusion
| ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 24.7 | 376.2 | Domalski and Hearing, 1996 | AC |
Enthalpy of phase transition
| ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 5.700 | 319.2 | crystaline, II | crystaline, I | Chick and Thorpe, 1971 | DH |
| 24.700 | 376.2 | crystaline, I | liquid | Chick and Thorpe, 1971 | DH |
| 13.300 | 347.2 | crystaline, II | liquid | Chick and Thorpe, 1971 | DH |
Entropy of phase transition
| ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 18. | 319.2 | crystaline, II | crystaline, I | Chick and Thorpe, 1971 | DH |
| 66. | 376.2 | crystaline, I | liquid | Chick and Thorpe, 1971 | DH |
| 38. | 347.2 | crystaline, II | liquid | Chick and Thorpe, 1971 | DH |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Chick and Thorpe, 1971
Chick, M.C.; Thorpe, B.W.,
Polymorphism in 2,4,5-trinitrotoluene,
Australian J. Chem., 1971, 24, 191-195. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusH Enthalpy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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