Chemical Properties of 4,6-Dinitro-1,3-dimethyl-benzene (CAS 616-72-8)

4,6-Dinitro-1,3-dimethyl-benzene

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InChI
InChI=1S/C8H8N2O4/c1-5-3-6(2)8(10(13)14)4-7(5)9(11)12/h3-4H,1-2H3
InChI Key
FOWXIRIJHSFCRC-UHFFFAOYSA-N
Formula
C8H8N2O4
SMILES
Cc1cc(C)c([N+](=O)[O-])cc1[N+](=O)[O-]
Molecular Weight1
196.16
CAS
616-72-8
Other Names
  • 1,3-Dimethyl-4,6-dinitrobenzene
  • 1,5-Dimethyl-2,4-dinitrobenzene
  • 4,6-Dinitro-1,3-xylene
  • 4,6-Dinitro-m-xylene
  • Benzene, 1,5-dimethyl-2,4-dinitro-
  • m-Xylene, 4,6-dinitro-
Sources

Physical Properties

Property Value Unit Source
Δcsolid -4189.40 ± 4.20 kJ/mol NIST
Δf 171.10 kJ/mol Joback Calculated Property
Δfgas -27.85 kJ/mol Joback Calculated Property
Δfus 32.07 kJ/mol Joback Calculated Property
Δvap 70.85 kJ/mol Joback Calculated Property
logPoct/wat 2.12 Crippen Calculated Property
Pc 3560.02 kPa Joback Calculated Property
Tboil 727.74 K Joback Calculated Property
Tc 995.84 K Joback Calculated Property
Tfus 531.12 K Joback Calculated Property
Vc 0.54 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 346.51 J/mol×K 727.74 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 4
-NO2 2
-CH3 2
=CH- (ring) 2

Similar Compounds

Benzene, 1-methyl-2,4-dinitro-. 2,4-Dinitro-1,3-dimethyl-benzene. Dinitromesitylene. Benzenamine, 2-methyl-3,5-dinitro-. Trinitrotoluene. Benzenamine, 4-methyl-3-nitro-. P-toluidine, 3,5-dinitro-. Benzene, 2,4-dimethyl-1-nitro-. Benzene, 2-methyl-1,3-dinitro-. 2,4-Dinitrobenzaldehyde. Benzenamine, 2-methyl-5-nitro-. Benzene, 1,3,5-trimethyl-2-nitro-. 2-Methyl-3-nitroaniline. 1,6-Di-(2,4-dinitro-phenyl)-hexane. Toluene, 3-fluoro-4,6-dinitro-.

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