Chemical Properties of Phenol (CAS 108-95-2)

Phenol

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InChI
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
InChI Key
ISWSIDIOOBJBQZ-UHFFFAOYSA-N
Formula
C6H6O
SMILES
Oc1ccccc1
Molecular Weight1
94.11
CAS
108-95-2
Other Names
  • Acide carbolique
  • Baker's P & S liquid & Ointment
  • Baker's P and S Liquid and Ointment
  • Benzene, hydroxy-
  • Benzenol
  • Carbolic acid
  • Carbolsaure
  • Fenol
  • Fenolo
  • Hydroxybenzene
  • Izal
  • Monohydroxybenzene
  • Monophenol
  • NA 2821
  • NCI-C50124
  • NSC 36808
  • Oxybenzene
  • Paoscle
  • PhOH
  • Phenic acid
  • Phenic alcohol
  • Phenol alcohol
  • Phenol, molten
  • Phenole
  • Phenyl alcohol
  • Phenyl hydrate
  • Phenyl hydroxide
  • Phenylic acid
  • Phenylic alcohol
  • Rcra waste number U188
  • UN 1671
  • UN 2312
  • UN 2821
Sources

Physical Properties

Property Value Unit Source
PAff 817.30 kJ/mol NIST
BasG 786.30 kJ/mol NIST
Δcsolid [-3067.00; -3053.50] kJ/mol Show Hide
Δcsolid -3053.60 ± 0.30 kJ/mol NIST
Δcsolid -3053.50 ± 0.67 kJ/mol NIST
Δcsolid -3055.80 kJ/mol NIST
Δcsolid -3054.70 kJ/mol NIST
Δcsolid -3066.04 kJ/mol NIST
Δcsolid -3067.00 kJ/mol NIST
Δf -32.94 kJ/mol Joback Calculated Property
Δfgas [-96.44; -94.20] kJ/mol Show Hide
Δfgas -96.36 ± 0.59 kJ/mol NIST
Δfgas -96.44 ± 0.63 kJ/mol NIST
Δfgas -94.20 kJ/mol NIST
Δfgas -95.30 kJ/mol NIST
Δfsolid [-165.10; -162.80] kJ/mol Show Hide
Δfsolid -165.00 kJ/mol NIST
Δfsolid -165.10 ± 1.30 kJ/mol NIST
Δfsolid -162.80 ± 1.00 kJ/mol NIST
Δfsolid -163.90 kJ/mol NIST
Δfus 11.51 kJ/mol Joback Calculated Property
Δsub [68.60; 69.70] kJ/mol Show Hide
Δsub 69.70 ± 0.90 kJ/mol NIST
Δsub 68.60 kJ/mol NIST
Δsub 68.66 ± 0.50 kJ/mol NIST
Δsub 68.70 kJ/mol NIST
Δvap 58.80 kJ/mol NIST
IE [8.00; 9.10] eV Show Hide
IE 8.49 ± 0.02 eV NIST
IE 8.51 ± 0.00 eV NIST
IE 8.51 ± 0.00 eV NIST
IE 8.49 eV NIST
IE Outlier 8.00 eV NIST
IE 8.21 eV NIST
IE 8.55 eV NIST
IE 8.47 ± 0.02 eV NIST
IE Outlier 9.10 ± 0.10 eV NIST
IE 8.37 eV NIST
IE 8.50 eV NIST
IE 8.69 eV NIST
IE 8.48 ± 0.05 eV NIST
IE 8.52 eV NIST
IE 8.50 ± 0.01 eV NIST
IE 8.52 ± 0.02 eV NIST
IE 8.75 eV NIST
IE 8.61 eV NIST
IE 8.70 eV NIST
IE 8.56 eV NIST
IE 8.69 eV NIST
IE 8.73 eV NIST
IE 8.67 eV NIST
IE 8.56 eV NIST
logPoct/wat 1.392 Crippen Calculated Property
Pc 5930.00 ± 78.45 kPa NIST
Pc 6130.16 ± 81.06 kPa NIST
solid,1 bar 144.01 J/mol×K NIST
solid,1 bar 142.70 J/mol×K NIST
Tboil [445.20; 458.00] K Show Hide
Tboil 454.96 ± 0.30 K NIST
Tboil 454.90 K NIST
Tboil 454.95 K NIST
Tboil 455.30 ± 0.15 K NIST
Tboil 454.76 ± 0.05 K NIST
Tboil 454.75 ± 0.05 K NIST
Tboil 454.95 ± 0.20 K NIST
Tboil 454.85 ± 0.30 K NIST
Tboil 454.85 ± 0.50 K NIST
Tboil 454.95 ± 0.15 K NIST
Tboil 454.85 ± 1.00 K NIST
Tboil 454.90 ± 0.30 K NIST
Tboil 455.35 ± 1.00 K NIST
Tboil Outlier 445.20 ± 0.50 K NIST
Tboil 455.15 ± 2.00 K NIST
Tboil 455.35 ± 0.30 K NIST
Tboil 455.35 ± 0.30 K NIST
Tboil 455.35 ± 0.30 K NIST
Tboil 454.35 ± 0.40 K NIST
Tboil 455.05 ± 2.00 K NIST
Tboil 454.75 ± 2.00 K NIST
Tboil 455.40 ± 0.50 K NIST
Tboil 454.60 ± 0.30 K NIST
Tboil 454.65 ± 1.50 K NIST
Tboil 455.35 ± 1.00 K NIST
Tboil 458.00 ± 0.30 K NIST
Tboil 455.25 ± 1.00 K NIST
Tboil 455.75 ± 0.50 K NIST
Tc 694.30 ± 0.40 K NIST
Tc 694.25 ± 0.15 K NIST
Tc 692.40 ± 2.00 K NIST
Tfus [312.40; 316.15] K Show Hide
Tfus 313.85 ± 0.30 K NIST
Tfus 314.05 K NIST
Tfus 314.15 ± 0.30 K NIST
Tfus 314.15 ± 0.50 K NIST
Tfus 314.15 ± 0.30 K NIST
Tfus 314.05 ± 0.06 K NIST
Tfus 313.95 ± 0.50 K NIST
Tfus 314.05 ± 0.30 K NIST
Tfus 314.20 ± 0.30 K NIST
Tfus 314.13 ± 0.02 K NIST
Tfus 314.05 ± 0.50 K NIST
Tfus 314.15 ± 0.50 K NIST
Tfus 314.05 ± 0.10 K NIST
Tfus 314.15 ± 0.50 K NIST
Tfus 314.15 ± 1.00 K NIST
Tfus 314.00 ± 0.20 K NIST
Tfus 313.15 ± 0.60 K NIST
Tfus 313.90 ± 0.20 K NIST
Tfus 313.00 ± 1.50 K NIST
Tfus Outlier 315.65 ± 0.50 K NIST
Tfus 313.35 ± 0.50 K NIST
Tfus 314.05 ± 0.20 K NIST
Tfus 314.15 ± 0.30 K NIST
Tfus 313.55 ± 0.30 K NIST
Tfus 314.05 ± 0.30 K NIST
Tfus 314.65 ± 0.30 K NIST
Tfus 313.65 ± 0.50 K NIST
Tfus 314.00 ± 0.20 K NIST
Tfus 314.00 ± 0.20 K NIST
Tfus 313.85 ± 0.20 K NIST
Tfus 313.30 ± 2.00 K NIST
Tfus 312.90 ± 2.00 K NIST
Tfus Outlier 315.70 ± 1.00 K NIST
Tfus Outlier 312.40 ± 0.50 K NIST
Tfus 313.86 ± 0.30 K NIST
Tfus 313.95 ± 0.30 K NIST
Tfus 314.02 ± 0.20 K NIST
Tfus 313.86 ± 0.30 K NIST
Tfus 314.07 ± 0.10 K NIST
Tfus 313.05 ± 1.00 K NIST
Tfus 314.15 ± 1.00 K NIST
Tfus 312.85 ± 0.20 K NIST
Tfus 313.95 ± 0.10 K NIST
Tfus 314.15 ± 1.00 K NIST
Tfus 314.15 ± 0.50 K NIST
Tfus 313.65 ± 0.50 K NIST
Tfus 313.95 ± 0.50 K NIST
Tfus 312.55 ± 0.50 K NIST
Tfus 314.15 ± 1.00 K NIST
Tfus 314.15 ± 0.30 K NIST
Tfus 314.00 ± 0.20 K NIST
Tfus 312.85 ± 0.50 K NIST
Tfus 313.03 ± 1.00 K NIST
Tfus 314.15 ± 1.00 K NIST
Tfus 313.15 ± 1.00 K NIST
Tfus Outlier 316.15 ± 2.00 K NIST
Tfus Outlier 315.65 ± 0.60 K NIST
Tfus 313.15 ± 1.50 K NIST
Tfus 313.95 ± 0.30 K NIST
Tfus 313.95 ± 0.30 K NIST
Tfus 314.00 ± 0.40 K NIST
Tfus 312.70 ± 1.00 K NIST
Ttriple 314.06 ± 0.01 K NIST
Vc 0.230 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 145.52 J/mol×K 439.0 Joback Calculated Property
Cp,solid [93.70; 199.80] J/mol×K [229.30; 313.00] Show Hide
Plot of Solid phase heat capacity.
Cp,solid 103.80 J/mol×K 229.3 NIST
Cp,solid 93.70 J/mol×K 293.0 NIST
Cp,solid 133.09 J/mol×K 295.8 NIST
Cp,solid 127.21 J/mol×K 298.15 NIST
Cp,solid 127.44 J/mol×K 298.15 NIST
Cp,solid 199.80 J/mol×K 313.0 NIST
η 0.0001735 Pa×s 439.0 Joback Calculated Property
ΔfusH [10.58; 12.12] kJ/mol [312.70; 314.13] Show Hide
Plot of Enthalpy of fusion at a given temperature.
ΔfusH 10.58 kJ/mol 312.7 NIST
ΔfusH 11.51 kJ/mol 314.0 NIST
ΔfusH 11.51 kJ/mol 314.0 NIST
ΔfusH 11.51 kJ/mol 314.06 NIST
ΔfusH 12.12 kJ/mol 314.13 NIST
ΔsubH [65.30; 68.70] kJ/mol [280.50; 297.50] Show Hide
Plot of Enthalpy of sublimation at a given temperature.
ΔsubH 65.30 ± 3.30 kJ/mol 280.5 NIST
ΔsubH 68.10 kJ/mol 291.5 NIST
ΔsubH 67.80 kJ/mol 291.5 NIST
ΔsubH 68.20 kJ/mol 293.0 NIST
ΔsubH 68.70 ± 0.50 kJ/mol 297.5 NIST
ΔvapH [43.80; 57.40] kJ/mol [354.50; 572.50] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 57.40 kJ/mol 354.5 NIST
ΔvapH 53.20 kJ/mol 377.0 NIST
ΔvapH 51.40 kJ/mol 417.5 NIST
ΔvapH 50.90 kJ/mol 421.5 NIST
ΔvapH 51.30 kJ/mol 428.0 NIST
ΔvapH 48.10 kJ/mol 434.0 NIST
ΔvapH 46.80 kJ/mol 487.5 NIST
ΔvapH 49.50 kJ/mol 555.0 NIST
ΔvapH 43.80 kJ/mol 572.5 NIST
ΔfusS 33.80 J/mol×K 312.7 NIST
ΔfusS 33.30 J/mol×K 314.0 NIST
ΔfusS 36.66 J/mol×K 314.06 NIST

Molecular Descriptors

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

Similar Compounds

phenoxide anion. Hydroquinone. Resorcinol. Phloroglucinol dihydrate. 1,3,5-Benzenetriol. 1,2-Benzenediol. Benzene, methoxy-. Anisonitrile. Phenol, 4-iodo-. Phenol, 4-amino-. 4-OH-benzyl. 4-Me-phenoxy. 4-F-phenoxy. Phenol, 4-fluoro-. p-Chlorophenol.

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