Chemical Properties of 2,3,5-Trinitrotoluene (CAS 609-74-5)

2,3,5-Trinitrotoluene

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InChI
InChI=1S/C7H5N3O6/c1-4-2-5(8(11)12)3-6(9(13)14)7(4)10(15)16/h2-3H,1H3
InChI Key
DGSCKRLVSINLST-UHFFFAOYSA-N
Formula
C7H5N3O6
SMILES
Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[N+](=O)[O-]
Molecular Weight1
227.13
CAS
609-74-5
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Physical Properties

Property Value Unit Source
Δcsolid -3447.00 kJ/mol NIST
Δf 198.23 kJ/mol Joback Calculated Property
Δfgas -17.97 kJ/mol Joback Calculated Property
Δfus 40.84 kJ/mol Joback Calculated Property
Δvap 85.21 kJ/mol Joback Calculated Property
log10WS -3.90 Crippen Calculated Property
logPoct/wat 1.720 Crippen Calculated Property
McVol 137.990 ml/mol McGowan Calculated Property
Pc 4067.32 kPa Joback Calculated Property
Tboil 856.70 K Joback Calculated Property
Tc 1146.44 K Joback Calculated Property
Tfus 663.46 K Joback Calculated Property
Vc 0.566 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [371.64; 404.39] J/mol×K [856.70; 1146.44] Show Hide
Cp,gas 371.64 J/mol×K 856.70 Joback Calculated Property
Cp,gas 379.23 J/mol×K 904.99 Joback Calculated Property
Cp,gas 385.89 J/mol×K 953.28 Joback Calculated Property
Cp,gas 391.69 J/mol×K 1001.57 Joback Calculated Property
Cp,gas 396.66 J/mol×K 1049.86 Joback Calculated Property
Cp,gas 400.88 J/mol×K 1098.15 Joback Calculated Property
Cp,gas 404.39 J/mol×K 1146.44 Joback Calculated Property

Similar Compounds

Benzene, 1-methyl-2,3-dinitro-. Benzene, 1-methyl-2,4,5-trinitro-. Benzene, 2-methyl-1,4-dinitro-. Benzene, 1-methyl-2,4-dinitro-. 2,4-Dimethyl-6-nitroaniline. 2-Methyl-6-nitroaniline. 2,4-Dinitro-1,3-dimethyl-benzene. Benzene, 1,4-dimethyl-2-nitro-. Benzene, 4-methyl-1,2-dinitro-. Benzenamine, 3-methyl-4-nitro-. Benzene, 1,2-dimethyl-3-nitro-. Benzene, 1-methyl-3,5-dinitro-. Benzenamine, 4-methyl-3-nitro-. 4-Methyl-3-nitrobenzyl alcohol. Benzene, 2-methyl-1,3-dinitro-.

Find more compounds similar to 2,3,5-Trinitrotoluene.

Sources

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