Chemical Properties of 1,2,3-Benzenetriol (CAS 87-66-1)

1,2,3-Benzenetriol

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InChI
InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
InChI Key
WQGWDDDVZFFDIG-UHFFFAOYSA-N
Formula
C6H6O3
SMILES
Oc1cccc(O)c1O
Molecular Weight1
126.11
CAS
87-66-1
Other Names
  • 1,2,3-Trihydroxybenzen
  • 1,2,3-Trihydroxybenzene
  • 2,3-Dihydroxyphenol
  • Benzene, 1,2,3-trihydroxy-
  • Benzene-1,2,3-triol
  • C.I. 76515
  • C.I. 76551
  • C.I. Oxidation Base 32
  • Fouramine Brown AP
  • Fouramine base ap
  • Fourrine 85
  • Fourrine PG
  • NSC 5035
  • Phenol
  • Piral
  • Pyro
  • Pyrogallic acid
  • Pyrogallol
Sources

Physical Properties

Property Value Unit Source
Δcsolid -2667.40 ± 0.50 kJ/mol NIST
Δcsolid -2586.00 kJ/mol NIST
Δf -342.18 kJ/mol Joback Calculated Property
Δfgas -434.20 ± 1.10 kJ/mol NIST
Δfsolid -551.10 ± 0.90 kJ/mol NIST
Δfus 23.07 kJ/mol Joback Calculated Property
Δsub [104.00; 116.90] kJ/mol Show Hide
Δsub 104.00 kJ/mol NIST
Δsub 116.90 ± 0.60 kJ/mol NIST
Δsub 116.90 kJ/mol NIST
Δsub 116.90 ± 0.60 kJ/mol NIST
Δvap 69.61 kJ/mol Joback Calculated Property
logPoct/wat 0.803 Crippen Calculated Property
Pc 9980.03 kPa Joback Calculated Property
Tboil 582.20 K NIST
Tboil 582.15 ± 1.00 K NIST
Tboil 444.20 K NIST
Tc 858.52 K Joback Calculated Property
Tfus 407.00 ± 1.00 K NIST
Tfus 398.65 ± 0.50 K NIST
Vc 0.162 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 222.40 J/mol×K 600.24 Joback Calculated Property
η 0.0000013 Pa×s 600.24 Joback Calculated Property
ΔfusH 25.90 kJ/mol 405.6 NIST
ΔfusH 18.55 kJ/mol 407.2 NIST
ΔfusH 18.55 kJ/mol 407.2 NIST
ΔsubH 89.10 kJ/mol 387.5 NIST
ΔvapH 69.50 kJ/mol 503.5 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 3
-OH (phenol) 3
=CH- (ring) 3

Similar Compounds

1,2,4-Benzenetriol. 1,2-Benzenediol. Resorcinol. Phloroglucinol dihydrate. 1,3,5-Benzenetriol. 2-Methoxyresorcinol. 1,2-Benzenediol, 3-methoxy-. Phenol, 2,6-dimethoxy-. 1,2,3-Trimethoxybenzene. Phenol, 2-methoxy-. 1,4-Benzenediol, 2-methoxy-. 2,6-Dimethoxy hydroquinone. Phenol. phenoxide anion. 3-Methoxyphenol.

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