Chemical Properties of Aniline (CAS 62-53-3)

Aniline

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InChI
InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
InChI Key
PAYRUJLWNCNPSJ-UHFFFAOYSA-N
Formula
C6H7N
SMILES
Nc1ccccc1
Molecular Weight1
93.13
CAS
62-53-3
Other Names
  • Aminobenzene
  • Aminophen
  • Anilin
  • Anilina
  • Aniline Oil
  • Aniline reagent
  • Anyvim
  • Benzenamine
  • Benzene, amino-
  • Benzeneamine
  • Benzidam
  • Blue Oil
  • C.I. 76000
  • C.I. Oxidation base 1
  • Cyanol
  • Huile D'aniline
  • Krystallin
  • Kyanol
  • NCI-C03736
  • Phenylamine
  • Rcra waste number U012
  • UN 1547
Sources

Physical Properties

Property Value Unit Source
PAff 882.50 kJ/mol NIST
BasG 850.60 kJ/mol NIST
Δcliquid [-3411.00; -3391.00] kJ/mol Show Hide
Δcliquid -3393.10 ± 1.00 kJ/mol NIST
Δcliquid -3392.00 kJ/mol NIST
Δcliquid -3392.30 kJ/mol NIST
Δcliquid -3391.00 ± 13.00 kJ/mol NIST
Δcliquid -3411.00 kJ/mol NIST
Δcsolid -3391.00 kJ/mol NIST
Δf 178.50 kJ/mol Joback Calculated Property
Δfgas [81.00; 87.03] kJ/mol Show Hide
Δfgas 87.03 ± 0.88 kJ/mol NIST
Δfgas 82.40 kJ/mol NIST
Δfgas 83.20 kJ/mol NIST
Δfgas 81.00 ± 3.00 kJ/mol NIST
Δfgas 85.40 kJ/mol NIST
Δfliquid [30.00; 33.00] kJ/mol Show Hide
Δfliquid 31.30 ± 0.84 kJ/mol NIST
Δfliquid 30.00 kJ/mol NIST
Δfliquid 30.80 kJ/mol NIST
Δfliquid 33.00 kJ/mol NIST
Δfus 10.53 kJ/mol Joback Calculated Property
Δvap [50.21; 55.83] kJ/mol Show Hide
Δvap 55.83 kJ/mol NIST
Δvap 55.83 ± 0.03 kJ/mol NIST
Δvap 55.77 kJ/mol NIST
Δvap 55.70 kJ/mol NIST
Δvap 52.70 kJ/mol NIST
Δvap 52.40 kJ/mol NIST
Δvap 50.21 kJ/mol NIST
IE [7.48; 8.35] eV Show Hide
IE 7.72 ± 0.00 eV NIST
IE 7.74 ± 0.01 eV NIST
IE 7.72 ± 0.00 eV NIST
IE 7.72 ± 0.00 eV NIST
IE 7.48 eV NIST
IE 8.00 eV NIST
IE Outlier 8.27 ± 0.05 eV NIST
IE 7.80 eV NIST
IE Outlier 8.35 eV NIST
IE 7.71 ± 0.01 eV NIST
IE 7.65 ± 0.02 eV NIST
IE 7.60 ± 0.10 eV NIST
IE 7.71 eV NIST
IE 7.66 eV NIST
IE 7.63 eV NIST
IE 7.89 ± 0.03 eV NIST
IE 8.10 ± 0.10 eV NIST
IE 7.70 ± 0.01 eV NIST
IE 7.89 eV NIST
IE 7.61 ± 0.05 eV NIST
IE 7.68 eV NIST
IE 7.67 ± 0.03 eV NIST
IE 7.70 eV NIST
IE 7.70 ± 0.02 eV NIST
IE 7.69 ± 0.02 eV NIST
IE 8.05 eV NIST
IE 8.02 eV NIST
IE 8.04 eV NIST
IE 8.05 eV NIST
IE 8.03 eV NIST
IE 8.05 eV NIST
IE 8.10 eV NIST
IE 8.02 eV NIST
IE 8.05 eV NIST
logPoct/wat 1.27 Crippen Calculated Property
Pc [5294.23; 5319.56] kPa Show Hide
Pc 5310.00 ± 91.19 kPa NIST
Pc 5300.00 ± 91.19 kPa NIST
Pc 5299.30 ± 101.32 kPa NIST
Pc 5294.23 ± 1.00 kPa NIST
Pc 5304.36 ± 1.00 kPa NIST
Pc 5319.56 ± 101.32 kPa NIST
liquid 191.30 J/mol×K NIST
liquid 191.60 J/mol×K NIST
Tboil [455.00; 458.00] K Show Hide
Tboil 457.70 ± 0.40 K NIST
Tboil 457.20 K NIST
Tboil 457.20 K NIST
Tboil 457.70 ± 0.50 K NIST
Tboil 457.10 ± 0.40 K NIST
Tboil 457.25 ± 0.30 K NIST
Tboil 457.40 ± 0.60 K NIST
Tboil 457.00 ± 0.30 K NIST
Tboil 457.70 ± 0.40 K NIST
Tboil 457.06 ± 0.15 K NIST
Tboil 457.60 ± 0.40 K NIST
Tboil 457.10 ± 9.20 K NIST
Tboil 457.30 ± 0.40 K NIST
Tboil 457.50 ± 0.40 K NIST
Tboil 457.10 ± 0.40 K NIST
Tboil 455.70 ± 2.00 K NIST
Tboil 457.50 ± 0.40 K NIST
Tboil 457.08 ± 0.07 K NIST
Tboil 457.50 ± 0.30 K NIST
Tboil 457.40 ± 0.60 K NIST
Tboil 457.50 ± 0.30 K NIST
Tboil 457.50 ± 0.30 K NIST
Tboil 457.82 ± 0.20 K NIST
Tboil 457.20 ± 0.30 K NIST
Tboil 457.60 ± 0.40 K NIST
Tboil 457.60 ± 0.30 K NIST
Tboil 457.50 ± 0.50 K NIST
Tboil Outlier 455.00 ± 1.00 K NIST
Tboil 457.50 ± 0.30 K NIST
Tboil 457.60 ± 0.40 K NIST
Tboil 457.50 ± 0.50 K NIST
Tboil 457.60 ± 0.40 K NIST
Tboil 457.70 ± 0.30 K NIST
Tboil 455.90 ± 0.30 K NIST
Tboil 456.00 ± 0.30 K NIST
Tboil 458.00 ± 0.10 K NIST
Tboil 457.00 ± 1.00 K NIST
Tboil 457.60 ± 0.30 K NIST
Tboil 457.60 ± 0.40 K NIST
Tboil 457.60 ± 0.40 K NIST
Tboil 457.60 ± 0.50 K NIST
Tboil 457.00 ± 1.50 K NIST
Tboil 456.00 ± 2.00 K NIST
Tboil Outlier 455.00 ± 1.50 K NIST
Tboil Outlier 455.00 ± 5.00 K NIST
Tboil Outlier 455.10 ± 11.11 K NIST
Tc [698.50; 699.10] K Show Hide
Tc 699.00 K NIST
Tc 698.95 ± 6.00 K NIST
Tc 698.80 ± 2.00 K NIST
Tc 698.50 ± 2.00 K NIST
Tc 699.10 ± 1.00 K NIST
Tc 698.90 ± 1.00 K NIST
Tc 698.55 ± 1.00 K NIST
Tc 698.75 ± 1.00 K NIST
Tfus [265.00; 279.33] K Show Hide
Tfus 267.00 K NIST
Tfus 267.65 ± 0.40 K NIST
Tfus 265.00 ± 1.00 K NIST
Tfus 267.11 ± 0.10 K NIST
Tfus 267.13 ± 0.07 K NIST
Tfus Outlier 279.25 ± 0.40 K NIST
Tfus 267.05 ± 0.30 K NIST
Tfus 267.20 ± 0.50 K NIST
Tfus 267.12 ± 0.10 K NIST
Tfus 267.15 ± 0.05 K NIST
Tfus 267.25 ± 0.50 K NIST
Tfus 267.00 ± 0.15 K NIST
Tfus 266.85 ± 0.05 K NIST
Tfus 267.05 ± 0.30 K NIST
Tfus 267.00 ± 1.50 K NIST
Tfus 267.10 ± 0.05 K NIST
Tfus 266.91 ± 0.10 K NIST
Tfus 266.65 ± 0.20 K NIST
Tfus 266.99 ± 0.20 K NIST
Tfus 266.95 ± 0.25 K NIST
Tfus Outlier 279.33 ± 0.30 K NIST
Tfus 266.95 ± 0.30 K NIST
Tfus 267.05 ± 0.20 K NIST
Tfus 265.00 ± 2.00 K NIST
Ttriple 267.13 ± 0.02 K NIST
Ttriple 267.30 ± 0.20 K NIST
Ttriple 266.90 ± 0.10 K NIST
Vc 0.29 m3/kg-mol Joback Calculated Property
Zc 0.2600000 ± 0.0030000 NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 149.06 J/mol×K 435.89 Joback Calculated Property
Cp,liquid [109.20; 197.50] J/mol×K [267.30; 323.00] Show Hide
Plot of Liquid phase heat capacity.
Cp,liquid 109.20 J/mol×K 267.3 NIST
Cp,liquid 183.70 J/mol×K 288.0 NIST
Cp,liquid 192.00 J/mol×K 293.0 NIST
Cp,liquid 194.10 J/mol×K 298.0 NIST
Cp,liquid 193.70 J/mol×K 298.0 NIST
Cp,liquid 192.50 J/mol×K 298.0 NIST
Cp,liquid 191.01 J/mol×K 298.15 NIST
Cp,liquid 192.05 J/mol×K 298.15 NIST
Cp,liquid 178.80 J/mol×K 298.15 NIST
Cp,liquid 190.92 J/mol×K 298.2 NIST
Cp,liquid 193.38 J/mol×K 298.2 NIST
Cp,liquid 197.50 J/mol×K 323.0 NIST
ΔfusH [10.54; 10.92] kJ/mol [266.80; 267.30] Show Hide
Plot of Enthalpy of fusion at a given temperature.
ΔfusH 10.56 kJ/mol 266.8 NIST
ΔfusH 10.54 kJ/mol 267.1 NIST
ΔfusH 10.54 kJ/mol 267.1 NIST
ΔfusH 10.54 kJ/mol 267.13 NIST
ΔfusH 10.92 kJ/mol 267.3 NIST
ΔvapH [42.20; 54.00] kJ/mol [293.00; 506.00] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 52.90 kJ/mol 293.0 NIST
ΔvapH 52.20 kJ/mol 305.5 NIST
ΔvapH 53.00 kJ/mol 333.0 NIST
ΔvapH 51.40 kJ/mol 349.5 NIST
ΔvapH 54.00 kJ/mol 380.5 NIST
ΔvapH 53.60 kJ/mol 394.5 NIST
ΔvapH 48.60 kJ/mol 415.5 NIST
ΔvapH 51.00 ± 0.20 kJ/mol 424.5 NIST
ΔvapH 48.00 ± 0.20 kJ/mol 424.5 NIST
ΔvapH 45.20 ± 0.20 kJ/mol 424.5 NIST
ΔvapH 42.20 ± 0.40 kJ/mol 424.5 NIST
ΔvapH 42.44 kJ/mol 457.2 NIST
ΔvapH 46.30 kJ/mol 489.0 NIST
ΔvapH 45.80 kJ/mol 506.0 NIST
ΔfusS 39.57 J/mol×K 266.8 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 1
=CH- (ring) 5
-NH2 1

Similar Compounds

Aniline hydrobromide. Aniline hydrochloride. Anilino radical. Aniline-, boron trichloride. 1,4-Benzenediamine. M-phenylenediamine dihydrochloride. 1,3-Benzenediamine. 1,2-Benzenediamine. Benzenamine, n-hydroxy-. Phenylhydrazine hydrochloride. Hydrazine, phenyl-. Benzene, nitroso-. Aniline, N-methyl-. Benzenamine, 4-iodo-. p-Toluidine.

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