Chemical Properties of Resorcinol (CAS 108-46-3)

Resorcinol

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InChI
InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
InChI Key
GHMLBKRAJCXXBS-UHFFFAOYSA-N
Formula
C6H6O2
SMILES
Oc1cccc(O)c1
Molecular Weight1
110.11
CAS
108-46-3
Other Names
  • 1,3-Benzenediol
  • 1,3-Dihydroxybenzene
  • 1,3-Dihydroxybenzene (resorcinol)
  • 3-Hydroxyphenol
  • Benzene, 1,3-dihydroxy-
  • Benzene, m-dihydroxy-
  • C.I. 76505
  • C.I. Developer 4
  • C.I. Oxidation Base 31
  • Developer O
  • Developer R
  • Developer RS
  • Durafur Developer G
  • Fouramine RS
  • Fourrine 79
  • Fourrine EW
  • NCI-C05970
  • NSC 1571
  • Nako TGG
  • Pelagol Grey RS
  • Pelagol RS
  • Phenol, m-hydroxy-
  • Rcra waste number U201
  • Resorcin
  • Resorcine
  • Rodol RS
  • UN 2876
  • m-Benzenediol
  • m-Dihydroxybenzene
  • m-Dioxybenzene
  • m-Hydroquinone
  • m-Hydroxyphenol
  • «alpha»-Resorcinol
Sources

Physical Properties

Property Value Unit Source
PAff 856.40 kJ/mol NIST
Δcsolid [-2867.00; -2847.90] kJ/mol Show Hide
Δcsolid -2847.90 ± 1.10 kJ/mol NIST
Δcsolid -2850.60 ± 0.42 kJ/mol NIST
Δcsolid -2867.00 kJ/mol NIST
Δcsolid -2861.00 kJ/mol NIST
SProt -15.00 J/mol×K NIST
Δf -187.56 kJ/mol Joback Calculated Property
Δfgas -284.70 ± 1.20 kJ/mol NIST
Δfgas -275.00 kJ/mol NIST
Δfgas -265.20 kJ/mol NIST
Δfsolid -370.70 ± 1.10 kJ/mol NIST
Δfsolid -368.00 ± 0.50 kJ/mol NIST
Δfsolid -351.20 kJ/mol NIST
Δfus 17.29 kJ/mol Joback Calculated Property
Δsub [86.00; 93.00] kJ/mol Show Hide
Δsub 86.00 ± 0.52 kJ/mol NIST
Δsub 86.00 kJ/mol NIST
Δsub 87.50 ± 0.50 kJ/mol NIST
Δsub 93.00 kJ/mol NIST
Δvap 78.40 ± 1.30 kJ/mol NIST
IE 8.20 eV NIST
IE 8.63 eV NIST
logPoct/wat 1.098 Crippen Calculated Property
Pc 7561.44 kPa Joback Calculated Property
Tboil [451.20; 554.55] K Show Hide
Tboil 550.00 K NIST
Tboil 549.10 ± 0.40 K NIST
Tboil 554.55 ± 0.50 K NIST
Tboil 451.20 K NIST
Tc 766.85 K Joback Calculated Property
Tfus [381.00; 390.00] K Show Hide
Tfus 382.60 ± 0.50 K NIST
Tfus 384.00 K NIST
Tfus 381.00 ± 1.00 K NIST
Tfus 382.00 ± 1.00 K NIST
Tfus 383.50 ± 0.30 K NIST
Tfus Outlier 390.00 ± 1.50 K NIST
Tfus 381.95 ± 0.50 K NIST
Ttriple 383.54 ± 0.02 K NIST
Ttriple 382.70 ± 0.20 K NIST
Ttriple 382.80 ± 0.25 K NIST
Vc 0.196 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 [131.00; 151.00] J/mol×K [297.90; 323.00] Show Hide
Plot of Solid phase heat capacity.
Cp,solid 131.40 J/mol×K 297.9 NIST
Cp,solid 131.00 J/mol×K 298.0 NIST
Cp,solid 135.53 J/mol×K 298.15 NIST
Cp,solid 139.30 J/mol×K 298.15 NIST
Cp,solid 151.00 J/mol×K 323.0 NIST
η 0.0000251 Pa×s 519.62 Joback Calculated Property
ΔfusH 1.20 kJ/mol 366.8 NIST
ΔfusH 18.90 kJ/mol 382.6 NIST
ΔsubH [85.30; 95.00] kJ/mol [303.00; 353.50] Show Hide
Plot of Enthalpy of sublimation at a given temperature.
ΔsubH 93.40 kJ/mol 303.0 NIST
ΔsubH 95.00 ± 1.00 kJ/mol 329.0 NIST
ΔsubH 93.00 ± 21.00 kJ/mol 329.5 NIST
ΔsubH 85.30 ± 0.50 kJ/mol 334.0 NIST
ΔsubH 92.30 kJ/mol 353.5 NIST
ΔvapH 74.30 kJ/mol 427.5 NIST
ΔvapH 74.30 kJ/mol 484.5 NIST
ΔfusS 3.27 J/mol×K 366.8 NIST
ΔfusS 49.41 J/mol×K 382.6 NIST

Molecular Descriptors

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

Similar Compounds

Phloroglucinol dihydrate. 1,3,5-Benzenetriol. 1,2,3-Benzenetriol. phenoxide anion. Phenol. 1,2,4-Benzenetriol. Hydroquinone. 1,2-Benzenediol. 3-Methoxyphenol. Flamenol. Benzene, 1,3-dimethoxy-. Phenol, 3,5-dimethoxy-. Benzene, 1,3,5-trimethoxy-. 3,5-dihydroxytoluene, monohydrate. 3,5-Dihydroxytoluene.

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