Chemical Properties of Benzene, 1-methyl-2,4-dinitro- (CAS 121-14-2)

Benzene, 1-methyl-2,4-dinitro-

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InChI
InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3
InChI Key
RMBFBMJGBANMMK-UHFFFAOYSA-N
Formula
C7H6N2O4
SMILES
Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
Molecular Weight1
182.13
CAS
121-14-2
Other Names
  • 1-Methyl-2,4-Dinitrobenzene
  • 2,4-DNT
  • 2,4-Dinitrotoluene
  • 2,4-Dinitrotoluol
  • 4-Methyl-1,3-dinitrobenzene
  • 6-Methyl-1,3-dinitrobenzene
  • Dinitrotoluol
  • NCI-C01865
  • NSC 7194
  • Rcra waste number U105
  • Toluene, 2,4-dinitro-
Sources

Physical Properties

Property Value Unit Source
Δcsolid [-3586.00; -3540.20] kJ/mol Show Hide
Δcsolid -3545.60 ± 3.00 kJ/mol NIST
Δcsolid -3572.00 kJ/mol NIST
Δcsolid -3540.20 ± 3.60 kJ/mol NIST
Δcsolid -3551.20 kJ/mol NIST
Δcsolid -3586.00 kJ/mol NIST
Δcsolid -3568.00 kJ/mol NIST
EA 1.60 ± 0.05 eV NIST
Δf 172.31 kJ/mol Joback Calculated Property
Δfgas 33.20 ± 3.30 kJ/mol NIST
Δfsolid -66.40 ± 3.00 kJ/mol NIST
Δfsolid -40.00 kJ/mol NIST
Δfsolid -29.00 kJ/mol NIST
Δfus 29.87 kJ/mol Joback Calculated Property
Δsub 99.60 ± 2.50 kJ/mol NIST
Δsub 100.00 ± 1.00 kJ/mol NIST
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 [340.00; 345.00] K Show Hide
Tfus 341.00 ± 0.10 K NIST
Tfus 344.30 ± 0.50 K NIST
Tfus 345.00 ± 1.00 K NIST
Tfus 343.00 ± 1.50 K NIST
Tfus 340.00 ± 1.00 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 255.00 J/mol×K 325.0 NIST
ΔfusH 20.12 kJ/mol 343.3 NIST
ΔfusH 20.12 kJ/mol 343.3 NIST
ΔfusH 20.90 kJ/mol 345.0 NIST
ΔsubH 94.70 ± 2.30 kJ/mol 292.5 NIST
ΔsubH 95.80 ± 1.30 kJ/mol 310.5 NIST
ΔsubH 98.30 ± 2.50 kJ/mol 337.0 NIST
ΔvapH 70.20 kJ/mol 396.5 NIST
ΔvapH 76.90 kJ/mol 458.0 NIST
ΔvapH 58.20 kJ/mol 522.5 NIST
ΔfusS 61.00 J/mol×K 345.0 NIST

Molecular Descriptors

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

Similar Compounds

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

Find more compounds similar to Benzene, 1-methyl-2,4-dinitro-.

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