Chemical Properties of m-Nitroaniline (CAS 99-09-2)

m-Nitroaniline

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InChI
InChI=1S/C6H6N2O2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,7H2
InChI Key
XJCVRTZCHMZPBD-UHFFFAOYSA-N
Formula
C6H6N2O2
SMILES
Nc1cccc([N+](=O)[O-])c1
Molecular Weight1
138.12
CAS
99-09-2
Other Names
  • 1-Amino-3-nitrobenzene
  • 3-Aminonitrobenzene
  • 3-Nitroaniline
  • 3-Nitrobenzenamine
  • 3-Nitrobenzeneamine
  • 3-Nitrophenylamine
  • Amarthol Fast Orange R Base
  • Aniline, m-nitro-
  • Azobase MNA
  • Benzenamine, 3-nitro-
  • C.I. 37030
  • C.I. Azoic Diazo Component 7
  • Daito Orange Base R
  • Devol Orange R
  • Diazo Fast Orange R
  • Fast Orange Base R
  • Fast Orange M Base
  • Fast Orange MM Base
  • Fast Orange R Base
  • Fast Orange R Salt
  • Hiltonil Fast Orange R Base
  • MNA
  • NSC 9574
  • Naphtoelan Orange R Base
  • Nitranilin
  • Orange Base Irga I
  • m-Aminonitrobenzene
  • m-Nitraniline
  • m-Nitroaminobenzene
  • m-Nitrophenylamine
Sources

Physical Properties

Property Value Unit Source
Δcsolid [-3190.30; -3155.10] kJ/mol Show Hide
Δcsolid -3184.32 ± 0.88 kJ/mol NIST
Δcsolid -3180.00 ± 0.40 kJ/mol NIST
Δcsolid -3190.30 kJ/mol NIST
Δcsolid -3155.10 kJ/mol NIST
EA 0.95 ± 0.10 eV NIST
Δf 204.42 kJ/mol Joback Calculated Property
Δfgas 62.50 ± 1.80 kJ/mol NIST
Δfsolid [-63.47; -28.30] kJ/mol Show Hide
Δfsolid -34.20 ± 1.20 kJ/mol NIST
Δfsolid -38.00 ± 0.40 kJ/mol NIST
Δfsolid -28.30 kJ/mol NIST
Δfsolid -63.47 kJ/mol NIST
Δfus 21.51 kJ/mol Joback Calculated Property
Δsub 97.00 ± 1.00 kJ/mol NIST
Δsub 96.50 ± 0.30 kJ/mol NIST
Δvap 59.12 kJ/mol Joback Calculated Property
IE 8.31 ± 0.02 eV NIST
IE 8.80 eV NIST
IE 8.60 eV NIST
logPoct/wat 1.18 Crippen Calculated Property
Pc 5037.07 kPa Joback Calculated Property
Tboil 592.71 K Joback Calculated Property
Tc 856.36 K Joback Calculated Property
Tfus [382.65; 387.80] K Show Hide
Tfus 387.65 ± 0.60 K NIST
Tfus 384.95 ± 0.20 K NIST
Tfus 387.00 ± 0.20 K NIST
Tfus 382.65 ± 1.50 K NIST
Tfus 385.00 ± 2.00 K NIST
Tfus 385.00 ± 0.50 K NIST
Tfus 385.00 ± 0.30 K NIST
Tfus 387.80 ± 0.10 K NIST
Vc 0.37 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 226.03 J/mol×K 592.71 Joback Calculated Property
Cp,solid [158.84; 186.60] J/mol×K [297.90; 323.00] Show Hide
Cp,solid 167.40 J/mol×K 297.9 NIST
Cp,solid 168.20 J/mol×K 298.0 NIST
Cp,solid 158.84 J/mol×K 298.15 NIST
Cp,solid 186.60 J/mol×K 323.0 NIST
ΔfusH [23.60; 23.69] kJ/mol [384.95; 387.20] Show Hide
Plot of Enthalpy of fusion at a given temperature.
ΔfusH 23.60 kJ/mol 384.95 NIST
ΔfusH 23.68 kJ/mol 385.0 NIST
ΔfusH 23.69 kJ/mol 387.0 NIST
ΔfusH 23.68 kJ/mol 387.0 NIST
ΔfusH 23.68 kJ/mol 387.2 NIST
ΔsubH [88.30; 97.60] kJ/mol [288.00; 352.00] Show Hide
Plot of Enthalpy of sublimation at a given temperature.
ΔsubH 97.50 ± 4.20 kJ/mol 288.0 NIST
ΔsubH 97.60 kJ/mol 315.5 NIST
ΔsubH 88.70 ± 2.50 kJ/mol 336.5 NIST
ΔsubH 88.30 ± 1.70 kJ/mol 336.5 NIST
ΔsubH 89.00 ± 2.00 kJ/mol 342.0 NIST
ΔsubH 93.60 ± 0.70 kJ/mol 352.0 NIST
ΔsubH 94.60 ± 0.30 kJ/mol 352.0 NIST
ΔvapH 64.90 kJ/mol 510.5 NIST
ΔfusS 61.30 J/mol×K 384.95 NIST
ΔfusS 61.50 J/mol×K 385.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-NO2 1
=CH- (ring) 4
-NH2 1

Similar Compounds

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

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