Chemical Properties of Phenol, 3-amino- (CAS 591-27-5)

Phenol, 3-amino-

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InChI
InChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2
InChI Key
CWLKGDAVCFYWJK-UHFFFAOYSA-N
Formula
C6H7NO
SMILES
Nc1cccc(O)c1
Molecular Weight1
109.13
CAS
591-27-5
Other Names
  • 1-Amino-3-hydroxybenzene
  • 3-Amino-1-hydroxybenzene
  • 3-Aminophenol
  • 3-Hydroxyaniline
  • 3-Hydroxybenzenamine
  • Basf ursol eg
  • C.I. 76545
  • C.I. Oxidation Base 7
  • Fouramine EG
  • Fourrine 65
  • Fourrine EG
  • Furro EG
  • Futramine EG
  • NSC 1546
  • Nako TEG
  • Pelagol EG
  • Phenol, m-amino-
  • Renal EG
  • Tertral EG
  • Ursol EG
  • Zoba EG
  • m-Aminofenol
  • m-Aminophenol
  • m-Hydroxyaminobenzene
  • m-Hydroxyaniline
  • m-Hydroxyphenylamine
Sources

Physical Properties

Property Value Unit Source
PAff 898.80 kJ/mol NIST
BasG 866.90 kJ/mol NIST
Δcsolid -3161.20 ± 1.20 kJ/mol NIST
Δcsolid -3167.40 ± 0.60 kJ/mol NIST
Δf 23.88 kJ/mol Joback Calculated Property
Δfgas -98.60 ± 1.60 kJ/mol NIST
Δfgas -89.40 ± 1.60 kJ/mol NIST
Δfsolid -200.20 ± 1.20 kJ/mol NIST
Δfsolid -194.10 ± 1.00 kJ/mol NIST
Δfus 16.32 kJ/mol Joback Calculated Property
Δsub [101.60; 104.70] kJ/mol Show Hide
Δsub 101.60 ± 0.90 kJ/mol NIST
Δsub 101.60 ± 0.90 kJ/mol NIST
Δsub 104.70 ± 1.20 kJ/mol NIST
Δsub 104.70 ± 1.20 kJ/mol NIST
Δvap 54.88 kJ/mol Joback Calculated Property
logPoct/wat 0.97 Crippen Calculated Property
Pc 6328.92 kPa Joback Calculated Property
Tboil 437.20 K NIST
Tboil 437.00 K NIST
Tc 762.01 K Joback Calculated Property
Tfus 394.00 ± 0.50 K NIST
Tfus 398.00 ± 1.00 K NIST
Tfus 396.00 ± 0.20 K NIST
Vc 0.26 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 191.19 J/mol×K 516.51 Joback Calculated Property
ΔfusH [21.95; 23.90] kJ/mol [390.70; 399.00] Show Hide
Plot of Enthalpy of fusion at a given temperature.
ΔfusH 23.90 kJ/mol 390.7 NIST
ΔfusH 22.97 kJ/mol 396.0 NIST
ΔfusH 21.95 kJ/mol 396.8 NIST
ΔfusH 22.98 kJ/mol 399.0 NIST
ΔfusH 22.98 kJ/mol 399.0 NIST
ΔsubH 98.80 ± 0.90 kJ/mol 335.0 NIST

Molecular Descriptors

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

Similar Compounds

Phenol, 4-amino-. Benzenamine, 3-methoxy-. 2-Aminophenol hydrochloride. Phenol, 2-amino-. 3-Ethoxyaniline. 3-Hydroxydiphenylamine. Phenol, 3-(dimethylamino)-. Benzenamine, 3-phenoxy-. Benzenamine, 3,5-dimethoxy-. P-methoxy aniline hydrobromide. Benzenamine, 4-methoxy-. P-NITROSOPHENOL. Phenol, 2,4-diamino-, dihydrochloride. 4-Methoxy-o-phenylenediamine. 5-Amino-2-methoxyphenol.

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