Chemical Properties of 1,2-Benzenediol (CAS 120-80-9)

1,2-Benzenediol

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InChI
InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
InChI Key
YCIMNLLNPGFGHC-UHFFFAOYSA-N
Formula
C6H6O2
SMILES
Oc1ccccc1O
Molecular Weight1
110.11
CAS
120-80-9
Other Names
  • 1,2-Benzenediol (pyrocatechol)
  • 1,2-Dihydroxybenzene
  • 2-Hydroxyphenol
  • 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-,(2R-trans)-
  • Benzene, o-dihydroxy-
  • Catechol
  • Catechol (phenol)
  • Durafur developer c
  • Fouramine pch
  • Fourrine 68
  • Kachin
  • Katechol
  • NCI-C55856
  • NSC 1573
  • Oxyphenic acid
  • Pelagol grey c
  • Phthalhydroquinone
  • Pyrocatechin
  • Pyrocatechine
  • Pyrocatechol
  • Pyrokatechin
  • Pyrokatechol
  • c.i. 76500
  • c.i. Oxidation base 26
  • o-Benzenediol
  • o-Dihydroxybenzene
  • o-Dioxybenzene
  • o-Diphenol
  • o-Hydroquinone
  • o-Hydroxyphenol
  • o-Phenylenediol
  • o-catecol
Sources

Physical Properties

Property Value Unit Source
Δcsolid [-2874.00; -2856.30] kJ/mol Show Hide
Δcsolid -2856.30 ± 1.10 kJ/mol NIST
Δcsolid -2864.50 ± 0.80 kJ/mol NIST
Δcsolid -2865.49 ± 0.74 kJ/mol NIST
Δcsolid -2874.00 kJ/mol NIST
Δcsolid -2862.00 kJ/mol NIST
Δf -187.56 kJ/mol Joback Calculated Property
Δfgas [-274.80; -262.50] kJ/mol Show Hide
Δfgas -274.80 ± 1.20 kJ/mol NIST
Δfgas -267.50 ± 1.90 kJ/mol NIST
Δfgas -271.60 ± 2.00 kJ/mol NIST
Δfgas -262.50 kJ/mol NIST
Δfsolid [-362.30; -344.00] kJ/mol Show Hide
Δfsolid -362.30 ± 1.10 kJ/mol NIST
Δfsolid -354.10 ± 1.10 kJ/mol NIST
Δfsolid -353.10 ± 1.10 kJ/mol NIST
Δfsolid -344.00 kJ/mol NIST
Δfus 17.29 kJ/mol Joback Calculated Property
Δsub [81.50; 87.50] kJ/mol Show Hide
Δsub 87.50 ± 0.29 kJ/mol NIST
Δsub 87.50 kJ/mol NIST
Δsub 87.50 ± 0.30 kJ/mol NIST
Δsub 86.60 ± 1.60 kJ/mol NIST
Δsub 86.60 ± 1.60 kJ/mol NIST
Δsub 86.60 kJ/mol NIST
Δsub Outlier 81.50 kJ/mol NIST
Δvap 71.90 ± 0.80 kJ/mol NIST
IE 8.15 eV NIST
IE 8.56 eV NIST
logPoct/wat 1.10 Crippen Calculated Property
Pc 7561.44 kPa Joback Calculated Property
Tboil [513.00; 519.05] K Show Hide
Tboil 518.20 K NIST
Tboil 513.00 K NIST
Tboil 518.80 ± 0.40 K NIST
Tboil 519.05 ± 0.50 K NIST
Tc 766.85 K Joback Calculated Property
Tfus [376.35; 378.00] K Show Hide
Tfus 376.90 ± 0.30 K NIST
Tfus 377.70 ± 0.10 K NIST
Tfus 378.00 K NIST
Tfus 378.00 ± 1.00 K NIST
Tfus 376.55 ± 0.50 K NIST
Tfus 376.35 ± 0.50 K NIST
Ttriple 377.50 ± 0.20 K NIST
Vc 0.20 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 186.33 J/mol×K 519.62 Joback Calculated Property
Cp,solid [132.20; 156.90] J/mol×K [297.90; 323.00] Show Hide
Plot of Solid phase heat capacity.
Cp,solid 139.30 J/mol×K 297.9 NIST
Cp,solid 132.20 J/mol×K 298.0 NIST
Cp,solid 140.17 J/mol×K 298.15 NIST
Cp,solid 140.60 J/mol×K 298.15 NIST
Cp,solid 156.90 J/mol×K 323.0 NIST
η 0.00 Pa×s 519.62 Joback Calculated Property
ΔfusH [18.55; 22.87] kJ/mol [337.50; 377.70] Show Hide
Plot of Enthalpy of fusion at a given temperature.
ΔfusH 22.76 kJ/mol 337.5 NIST
ΔfusH 22.00 kJ/mol 376.85 NIST
ΔfusH 22.01 kJ/mol 376.9 NIST
ΔfusH 22.01 kJ/mol 376.9 NIST
ΔfusH 22.76 kJ/mol 377.5 NIST
ΔfusH 22.87 kJ/mol 377.6 NIST
ΔfusH 18.55 kJ/mol 377.6 NIST
ΔfusH 22.54 kJ/mol 377.7 NIST
ΔsubH 80.00 ± 0.50 kJ/mol 302.5 NIST
ΔsubH 81.00 ± 2.00 kJ/mol 309.0 NIST
ΔvapH 61.20 kJ/mol 408.5 NIST
ΔvapH 63.10 kJ/mol 457.0 NIST
ΔfusS 60.30 J/mol×K 337.5 NIST
ΔfusS 58.00 J/mol×K 376.85 NIST

Molecular Descriptors

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

Similar Compounds

1,2,3-Benzenetriol. 1,2,4-Benzenetriol. phenoxide anion. Phenol. Hydroquinone. Resorcinol. Phloroglucinol dihydrate. 1,3,5-Benzenetriol. Phenol, 2-methoxy-. Benzene, 1,2-dimethoxy-. 2,3-Naphthalenediol. 1,2-Benzenediol, 4-methyl-. 2-Methoxyresorcinol. 1,2-Benzenediol, 4-chloro-. Benzene, methoxy-.

Find more compounds similar to 1,2-Benzenediol.

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