Chemical Properties of Benzenamine, 3,5-dinitro- (CAS 618-87-1)

Benzenamine, 3,5-dinitro-

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InChI
InChI=1S/C6H5N3O4/c7-4-1-5(8(10)11)3-6(2-4)9(12)13/h1-3H,7H2
InChI Key
MPBZUKLDHPOCLS-UHFFFAOYSA-N
Formula
C6H5N3O4
SMILES
Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
Molecular Weight1
183.12
CAS
618-87-1
Other Names
  • 3,5-Dinitroaniline
  • Aniline, 3,5-dinitro-
  • Benzeneamine, 3,5-dinitro-
Sources

Physical Properties

Property Value Unit Source
Δcsolid -3037.00 kJ/mol NIST
Δf 230.34 kJ/mol Joback Calculated Property
Δfgas 58.69 kJ/mol Joback Calculated Property
Δfsolid -39.00 kJ/mol NIST
Δfus 32.48 kJ/mol Joback Calculated Property
Δvap 76.37 kJ/mol Joback Calculated Property
logPoct/wat 1.09 Crippen Calculated Property
Pc 5015.69 kPa Joback Calculated Property
Tboil 749.53 K Joback Calculated Property
Tc 1034.10 K Joback Calculated Property
Tfus 579.32 K Joback Calculated Property
Vc 0.46 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 298.44 J/mol×K 749.53 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 3
-NO2 2
=CH- (ring) 3
-NH2 1

Similar Compounds

1,3,5-Trinitrobenzene. Benzene, 1,3-dinitro-. 1,3-Benzenediamine, 5-nitro-. m-Nitroaniline. Benzenamine, 2,6-dinitro-. Benzene, 1-methyl-3,5-dinitro-. Benzenamine, 2,4-dinitro-. 3,5-Dinitroiodobenzene. 1,4-Benzenediamine, 2-nitro-. Benzenamine, 2,4,6-trinitro-. Benzene, 1-isothiocyanato-3-nitro-. Benzenamine, 2-methyl-5-nitro-. Benzenamine, 2-chloro-5-nitro-. Benzenamine, N,N-dimethyl-3-nitro-. 1,3,5-Benzenetriamine, 2,4,6-trinitro-.

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