Chemical Properties of Benzene, 2-methyl-1,3-dinitro- (CAS 606-20-2)

Benzene, 2-methyl-1,3-dinitro-

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3
InChI Key
XTRDKALNCIHHNI-UHFFFAOYSA-N
Formula
C7H6N2O4
SMILES
Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-]
Molecular Weight1
182.13
CAS
606-20-2
Other Names
  • 1-Methyl-2,6-dinitrobenzene
  • 2,6-Dinitrotoluene
  • 2,6-Dnt
  • 2-Methyl-1,3-dinitro-benzene
  • Rcra waste number U106
  • Toluene, 2,6-dinitro-
Sources

Physical Properties

Property Value Unit Source
Δcsolid [-3574.00; -3556.80] kJ/mol Show Hide
Δcsolid -3556.80 ± 1.00 kJ/mol NIST
Δcsolid -3570.30 kJ/mol NIST
Δcsolid -3560.90 ± 3.60 kJ/mol NIST
Δcsolid -3574.00 kJ/mol NIST
EA 1.47 ± 0.05 eV NIST
EA 1.55 ± 0.05 eV NIST
Δf 172.31 kJ/mol Joback Calculated Property
Δfgas 4.26 kJ/mol Joback Calculated Property
Δfsolid -55.20 ± 2.20 kJ/mol NIST
Δfsolid -41.80 kJ/mol NIST
Δfus 29.87 kJ/mol Joback Calculated Property
Δvap 67.96 kJ/mol Joback Calculated Property
logPoct/wat 1.811 Crippen Calculated Property
Pc 4082.92 kPa Joback Calculated Property
Tboil 699.88 K Joback Calculated Property
Tc 974.05 K Joback Calculated Property
Tfus [327.00; 339.19] K Show Hide
Tfus 329.60 ± 0.20 K NIST
Tfus 339.00 ± 3.00 K NIST
Tfus 339.19 ± 0.10 K NIST
Tfus 327.00 ± 0.10 K NIST
Vc 0.483 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 299.55 J/mol×K 699.88 Joback Calculated Property
Cp,solid 217.00 J/mol×K 305.0 NIST
Cp,solid 224.00 J/mol×K 305.0 NIST
ΔfusH [16.07; 23.85] kJ/mol [327.50; 340.00] Show Hide
ΔfusH 23.85 kJ/mol 327.5 NIST
ΔfusH 23.85 kJ/mol 327.5 NIST
ΔfusH 19.28 kJ/mol 340.0 NIST
ΔfusH 16.07 kJ/mol 340.0 NIST
ΔsubH 99.60 ± 2.30 kJ/mol 300.0 NIST
ΔsubH 98.30 ± 0.80 kJ/mol 300.0 NIST
ΔvapH 68.70 kJ/mol 385.5 NIST
ΔvapH 77.80 kJ/mol 431.5 NIST
ΔvapH 56.90 kJ/mol 488.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 3
-NO2 2
-CH3 1
=CH- (ring) 3

Similar Compounds

P-toluidine, 3,5-dinitro-. 2-Methyl-3-nitroaniline. Trinitrotoluene. Benzenamine, 2-methyl-3,5-dinitro-. Benzene, 1-methyl-2,4-dinitro-. Benzenamine, 4-methyl-3-nitro-. 2,4-Dinitro-1,3-dimethyl-benzene. Dinitromesitylene. 2,6-Dinitrobenzonitrile. 4,6-Dinitro-1,3-dimethyl-benzene. Benzene, 1-methyl-2-nitro-. 2,4-Dinitrobenzaldehyde. Benzenamine, 2-methyl-5-nitro-. Benzene, 1-methyl-3,5-dinitro-. Benzene, 1,3-dimethyl-2-nitro-.

Find more compounds similar to Benzene, 2-methyl-1,3-dinitro-.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.