Chemical Properties of Benzenamine, N,N-dimethyl-4-nitro- (CAS 100-23-2)

Benzenamine, N,N-dimethyl-4-nitro-

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InChI
InChI=1S/C8H10N2O2/c1-9(2)7-3-5-8(6-4-7)10(11)12/h3-6H,1-2H3
InChI Key
QJAIOCKFIORVFU-UHFFFAOYSA-N
Formula
C8H10N2O2
SMILES
CN(C)c1ccc([N+](=O)[O-])cc1
Molecular Weight1
166.18
CAS
100-23-2
Other Names
  • 1-(Dimethylamino)-4-nitrobenzene
  • 4-(Dimethylamino)nitrobenzene
  • 4-Nitro-N,N-dimethylaniline
  • 4-Nitrodimethylaniline
  • Aniline, N,N-dimethyl-p-nitro-
  • N,N-Dimethyl-4-nitroaniline
  • N,N-Dimethyl-4-nitrobenzenamine
  • N,N-Dimethyl-p-nitroaniline
  • NSC 9815
  • p-(Dimethylamino)nitrobenzene
  • p-Nitro-N,N-dimethylaniline
  • p-Nitrodimethylaniline
Sources

Physical Properties

Property Value Unit Source
PAff 896.70 kJ/mol NIST
BasG 870.20 kJ/mol NIST
Δcsolid -4538.70 ± 1.20 kJ/mol NIST
Δcsolid -4541.87 ± 0.94 kJ/mol NIST
Δf 265.59 kJ/mol Joback Calculated Property
Δfgas 62.80 ± 2.60 kJ/mol NIST
Δfgas 67.30 ± 1.70 kJ/mol NIST
Δfsolid -38.50 ± 1.60 kJ/mol NIST
Δfsolid -35.40 ± 1.40 kJ/mol NIST
Δfus 24.51 kJ/mol Joback Calculated Property
Δsub [101.30; 102.70] kJ/mol Show Hide
Δsub 101.30 ± 2.00 kJ/mol NIST
Δsub 101.30 ± 2.00 kJ/mol NIST
Δsub 102.70 ± 1.10 kJ/mol NIST
Δsub 102.70 ± 1.00 kJ/mol NIST
Δvap 54.97 kJ/mol Joback Calculated Property
IE 7.60 ± 0.10 eV NIST
IE 8.00 eV NIST
logPoct/wat 1.66 Crippen Calculated Property
Pc 3628.97 kPa Joback Calculated Property
Tboil 578.38 K Joback Calculated Property
Tc 818.79 K Joback Calculated Property
Tfus 436.90 ± 1.00 K NIST
Vc 0.48 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 299.59 J/mol×K 578.38 Joback Calculated Property
ΔsubH 98.70 ± 1.70 kJ/mol 355.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
>N- 1
-CH3 2
-NO2 1
=CH- (ring) 4

Similar Compounds

Benzenamine, N-methyl-4-nitro-. 4-Nitro-4'-(N,N-dimethylamino)-azobenzene. Benzenamine, N,N-dimethyl-4-nitroso-. p-Nitroaniline. 3-(4-Nitroanilino)-1-propanol. N-(4-Nitrophenyl)acetic acid amide. N-p-nitrophenylpiperazine. Benzene, 1,4-dinitro-. Urea, N-(4-nitrophenyl)-N'-phenyl-. Acetanilide, 2-chloro-4'-nitro-. Benzenamine, N,N-dimethyl-3-nitro-. P-nitrophenyl hydrazine. 4-Nitrophenylhydrazine hydrochloride. Benzene, 1-isocyano-4-nitro-. P-nitro carbanilic acid, ethyl ester.

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