Chemical Properties of Benzene, 1,4-dinitro- (CAS 100-25-4)

Benzene, 1,4-dinitro-

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InChI
InChI=1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H
InChI Key
FYFDQJRXFWGIBS-UHFFFAOYSA-N
Formula
C6H4N2O4
SMILES
O=[N+]([O-])c1ccc([N+](=O)[O-])cc1
Molecular Weight1
168.11
CAS
100-25-4
Other Names
  • 1,4-Dinitrobenzene
  • Benzene, p-dinitro-
  • Dithane a-4
  • UN 1597
  • p-Dinitrobenzene
  • para-Dinitrobenzene
Sources

Physical Properties

Property Value Unit Source
Δcsolid -2894.00 ± 0.40 kJ/mol NIST
Δcsolid -2902.00 kJ/mol NIST
EA [0.03; 3.10] eV Show Hide
EA 2.00 ± 0.10 eV NIST
EA 0.03 eV NIST
EA 2.00 ± 0.05 eV NIST
EA 3.10 ± 0.05 eV NIST
Δf 173.52 kJ/mol Joback Calculated Property
Δfgas 36.37 kJ/mol Joback Calculated Property
Δfsolid -38.00 ± 0.40 kJ/mol NIST
Δfus 27.67 kJ/mol Joback Calculated Property
Δsub 94.30 ± 0.70 kJ/mol NIST
Δsub 96.20 ± 2.50 kJ/mol NIST
Δvap 65.07 kJ/mol Joback Calculated Property
IE [10.30; 10.65] eV Show Hide
IE 10.30 ± 0.10 eV NIST
IE 10.50 ± 0.02 eV NIST
IE 10.60 ± 0.10 eV NIST
IE 10.65 eV NIST
logPoct/wat 1.50 Crippen Calculated Property
Pc 4730.11 kPa Joback Calculated Property
Tboil 456.20 K NIST
Tc 952.61 K Joback Calculated Property
Tfus 444.20 ± 0.10 K NIST
Tfus 446.65 ± 0.20 K NIST
Tfus 446.70 ± 0.30 K NIST
Vc 0.43 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 254.14 J/mol×K 672.02 Joback Calculated Property
Cp,solid 192.00 J/mol×K 298.0 NIST
Cp,solid 200.00 J/mol×K 298.15 NIST
Cp,solid 167.00 J/mol×K 325.0 NIST
ΔfusH [17.58; 28.12] kJ/mol [446.00; 446.70] Show Hide
Plot of Enthalpy of fusion at a given temperature.
ΔfusH 17.58 kJ/mol 446.0 NIST
ΔfusH 28.10 kJ/mol 446.65 NIST
ΔfusH 28.12 kJ/mol 446.7 NIST
ΔfusH 28.12 kJ/mol 446.7 NIST
ΔfusH 28.12 kJ/mol 446.7 NIST
ΔsubH 89.00 ± 1.00 kJ/mol 343.0 NIST
ΔsubH 89.10 ± 1.70 kJ/mol 356.5 NIST
ΔvapH 60.30 kJ/mol 508.5 NIST
ΔfusS 62.90 J/mol×K 446.65 NIST
ΔfusS 62.90 J/mol×K 446.7 NIST

Molecular Descriptors

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

Similar Compounds

p-Nitroaniline. Benzene, nitro-. 4-Nitrophenylhydrazine hydrochloride. P-nitrophenyl hydrazine. Benzene, 1-isocyano-4-nitro-. Benzenamine, N-methyl-4-nitro-. Benzene, 1-isocyanato-4-nitro-. Benzene, 1-isothiocyanato-4-nitro-. Benzenamine, N,N-dimethyl-4-nitro-. N-(4-Nitrophenyl)-N-phenylamine. Benzene, 1-azido-4-nitro-. Diazene, (4-nitrophenyl)phenyl-. Diazene, bis(4-nitrophenyl)-. 4,4'-Dinitrohydrazobenzene. m-Nitroaniline.

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

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