Chemical Properties of Benzenamine, N,N-dimethyl-3-nitro- (CAS 619-31-8)

Benzenamine, N,N-dimethyl-3-nitro-

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InChI
InChI=1S/C8H10N2O2/c1-9(2)7-4-3-5-8(6-7)10(11)12/h3-6H,1-2H3
InChI Key
CJDICMLSLYHRPT-UHFFFAOYSA-N
Formula
C8H10N2O2
SMILES
CN(C)c1cccc([N+](=O)[O-])c1
Molecular Weight1
166.18
CAS
619-31-8
Other Names
  • 1-(Dimethylamino)-3-nitrobenzene
  • 3-Nitro-N,N-dimethylaniline
  • Aniline, N,N-dimethyl-m-nitro-
  • Benzene, 1-(dimethylamino)-3-nitro-
  • N,N-Dimethyl-3-nitroaniline
  • N,N-Dimethyl-m-nitroaniline
  • NSC 9814
  • m-Nitro-N,N-dimethylaniline
Sources

Physical Properties

Property Value Unit Source
PAff 894.10 kJ/mol NIST
BasG 867.60 kJ/mol NIST
Δcsolid -4557.20 ± 1.50 kJ/mol NIST
EA 0.98 ± 0.05 eV NIST
Δf 265.59 kJ/mol Joback Calculated Property
Δfgas 72.60 ± 1.80 kJ/mol NIST
Δfsolid -20.10 ± 1.80 kJ/mol NIST
Δfus 24.51 kJ/mol Joback Calculated Property
Δsub 92.70 ± 0.30 kJ/mol NIST
Δsub 92.72 ± 0.27 kJ/mol NIST
Δvap 54.97 kJ/mol Joback Calculated Property
logPoct/wat 1.66 Crippen Calculated Property
Pc 3628.97 kPa Joback Calculated Property
Tboil 555.70 K NIST
Tc 818.79 K Joback Calculated Property
Tfus 333.65 ± 1.50 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
ΔvapH 48.20 kJ/mol 424.5 NIST
ΔvapH 52.30 kJ/mol 492.5 NIST

Molecular Descriptors

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

Similar Compounds

N-(3-Nitrophenyl)acetic acid amide. m-Nitroaniline. 1,3-Benzenediamine, 5-nitro-. Benzene, 1,3-dinitro-. Acetamide, n-(3-nitrophenyl)-2-chloro-. Benzenamine, 3,5-dinitro-. 1,3,5-Trinitrobenzene. 3-Nitro-4'-(N,N-dimethylamino)-azobenzene. Carbamic acid, n-(3-nitrophenyl)-, ethyl ester. Benzenamine, N,N-dimethyl-4-nitro-. Acetamide, n-(3-nitrophenyl)-2,2-dichloro-. Acetamide, n-(3-nitrophenyl)-2-methoxy-. 2-Amino-4-nitrophenol, n,n-dimethyl-, methyl ether. Acetamide, n-(3-nitrophenyl)-2,2,2-trifluoro-. Pentanamide, n-(3-nitrophenyl)-.

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