Chemical Properties of 1,3-Benzenediamine, 5-nitro- (CAS 5042-55-7)

1,3-Benzenediamine, 5-nitro-

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

InChI
InChI=1S/C6H7N3O2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H,7-8H2
InChI Key
DFWXYHZQNLIBLY-UHFFFAOYSA-N
Formula
C6H7N3O2
SMILES
Nc1cc(N)cc([N+](=O)[O-])c1
Molecular Weight1
153.14
CAS
5042-55-7
Other Names
  • 1,3-Diamino-5-nitrobenzene
  • 1-Nitro-3,5-diaminobenzene
  • 3,5-Diaminonitrobenzene
  • 5-Nitro-1,3-benzenediamine
  • 5-nitrobenzene-1,3-diamine
  • m-Phenylenediamine, 5-nitro-
Sources

Physical Properties

Property Value Unit Source
Δf 261.24 kJ/mol Joback Calculated Property
Δfgas 103.24 kJ/mol Joback Calculated Property
Δfus 26.31 kJ/mol Joback Calculated Property
Δvap 70.42 kJ/mol Joback Calculated Property
logPoct/wat 0.76 Crippen Calculated Property
Pc 5351.35 kPa Joback Calculated Property
Tboil 670.22 K Joback Calculated Property
Tc 940.43 K Joback Calculated Property
Tfus 518.97 K Joback Calculated Property
Vc 0.40 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 271.57 J/mol×K 670.22 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

Find more compounds similar to 1,3-Benzenediamine, 5-nitro-.

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.