Chemical Properties of p-Nitroaniline (CAS 100-01-6)

p-Nitroaniline

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InChI
InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2
InChI Key
TYMLOMAKGOJONV-UHFFFAOYSA-N
Formula
C6H6N2O2
SMILES
Nc1ccc([N+](=O)[O-])cc1
Molecular Weight1
138.12
CAS
100-01-6
Other Names
  • 1-Amino-4-nitrobenzene
  • 4-Aminonitrobenzene
  • 4-Nitraniline
  • 4-Nitroaniline
  • 4-Nitrobenzenamine
  • Aniline, 4-nitro-
  • Aniline, p-nitro-
  • Azoamine Red 2H
  • Azoamine Red Zh
  • Azofix Red GG Salt
  • Azoic Diazo Component 37
  • Benzenamine, 4-nitro-
  • C.I. 37035
  • C.I. Azoic Diazo Component 37
  • C.I. Developer 17
  • Developer P
  • Devol Red GG
  • Diazo Fast Red GG
  • Fast Red 2G Base
  • Fast Red 2G Salt
  • Fast Red Base 2J
  • Fast Red Base GG
  • Fast Red GG Base
  • Fast Red GG Salt
  • Fast Red MP Base
  • Fast Red P Base
  • Fast Red P Salt
  • Fast Red Salt 2J
  • Fast Red Salt GG
  • NCI-C60786
  • NSC 9797
  • Naphtoelan Red GG Base
  • Nitrazol CF extra
  • PNA
  • Paranitroaniline
  • Rcra waste number P077
  • Red 2G Base
  • Shinnippon Fast Red GG Base
  • p-Aminonitrobenzene
  • p-Nitraniline
  • p-Nitroanilina
  • p-Nitrophenylamine
Sources

Physical Properties

Property Value Unit Source
PAff 866.00 kJ/mol NIST
BasG 834.20 kJ/mol NIST
Δcsolid [-3180.00; -3172.98] kJ/mol Show Hide
Δcsolid -3172.98 ± 0.90 kJ/mol NIST
Δcsolid -3176.00 ± 0.80 kJ/mol NIST
Δcsolid -3180.00 ± 3.20 kJ/mol NIST
Δcsolid -3177.10 kJ/mol NIST
EA 0.75 ± 0.10 eV NIST
EA 0.92 ± 0.09 eV NIST
Δf 204.42 kJ/mol Joback Calculated Property
Δfgas 55.20 ± 1.80 kJ/mol NIST
Δfsolid [-45.60; -38.50] kJ/mol Show Hide
Δfsolid -45.60 ± 1.20 kJ/mol NIST
Δfsolid -43.10 ± 0.80 kJ/mol NIST
Δfsolid -38.50 ± 3.20 kJ/mol NIST
Δfsolid -41.50 kJ/mol NIST
Δfus 21.51 kJ/mol Joback Calculated Property
Δsub [99.30; 101.50] kJ/mol Show Hide
Δsub 101.40 ± 1.30 kJ/mol NIST
Δsub 101.50 ± 1.70 kJ/mol NIST
Δsub 100.40 ± 2.10 kJ/mol NIST
Δsub 101.00 ± 1.00 kJ/mol NIST
Δsub 100.90 ± 0.60 kJ/mol NIST
Δsub 101.30 ± 0.70 kJ/mol NIST
Δsub Outlier 99.30 ± 1.70 kJ/mol NIST
Δsub 100.70 ± 2.50 kJ/mol NIST
Δvap 59.12 kJ/mol Joback Calculated Property
IE [8.34; 8.85] eV Show Hide
IE 8.43 eV NIST
IE 8.34 ± 0.01 eV NIST
IE 8.60 ± 0.10 eV NIST
IE 8.85 eV NIST
IE 8.60 eV NIST
logPoct/wat 1.18 Crippen Calculated Property
Pc 5037.07 kPa Joback Calculated Property
Tboil 533.20 K NIST
Tc 856.36 K Joback Calculated Property
Tfus [414.15; 422.15] K Show Hide
Tfus Outlier 414.15 ± 0.60 K NIST
Tfus 420.65 ± 0.20 K NIST
Tfus 421.60 ± 0.20 K NIST
Tfus 419.90 ± 0.40 K NIST
Tfus 422.15 ± 1.00 K NIST
Tfus 421.00 ± 2.00 K NIST
Tfus 420.15 ± 3.00 K NIST
Tfus 420.70 ± 0.30 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 [154.20; 184.90] J/mol×K [297.90; 323.00] Show Hide
Cp,solid 165.70 J/mol×K 297.9 NIST
Cp,solid 169.00 J/mol×K 298.0 NIST
Cp,solid 154.20 J/mol×K 298.15 NIST
Cp,solid 184.90 J/mol×K 323.0 NIST
ΔfusH [21.09; 21.15] kJ/mol [420.20; 420.70] Show Hide
ΔfusH 21.09 kJ/mol 420.2 NIST
ΔfusH 21.15 kJ/mol 420.65 NIST
ΔfusH 21.09 kJ/mol 420.7 NIST
ΔfusH 21.09 kJ/mol 420.7 NIST
ΔsubH [97.50; 109.30] kJ/mol [303.00; 362.00] Show Hide
Plot of Enthalpy of sublimation at a given temperature.
ΔsubH 109.20 ± 4.20 kJ/mol 303.0 NIST
ΔsubH 109.30 kJ/mol 333.0 NIST
ΔsubH 97.50 ± 1.70 kJ/mol 356.0 NIST
ΔsubH 98.70 ± 2.50 kJ/mol 361.0 NIST
ΔsubH 99.00 ± 3.00 kJ/mol 361.0 NIST
ΔsubH 103.30 ± 1.70 kJ/mol 362.0 NIST
ΔvapH 77.90 kJ/mol 505.5 NIST
ΔvapH 70.00 kJ/mol 512.0 NIST
ΔfusS 50.30 J/mol×K 420.65 NIST
ΔfusS 50.10 J/mol×K 420.7 NIST

Molecular Descriptors

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

Similar Compounds

Benzene, 1,4-dinitro-. Benzene, nitro-. P-nitrophenyl hydrazine. 4-Nitrophenylhydrazine hydrochloride. Benzene, 1-isocyano-4-nitro-. Benzenamine, N-methyl-4-nitro-. Benzene, 1-isocyanato-4-nitro-. Benzene, 1-isothiocyanato-4-nitro-. Benzenamine, N,N-dimethyl-4-nitro-. Benzene, 1-azido-4-nitro-. N-(4-Nitrophenyl)-N-phenylamine. Diazene, (4-nitrophenyl)phenyl-. Diazene, bis(4-nitrophenyl)-. 4,4'-Dinitrohydrazobenzene. m-Nitroaniline.

Find more compounds similar to p-Nitroaniline.

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.