Chemical Properties of Phenol, 2-fluoro- (CAS 367-12-4)

Phenol, 2-fluoro-

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InChI
InChI=1S/C6H5FO/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChI Key
HFHFGHLXUCOHLN-UHFFFAOYSA-N
Formula
C6H5FO
SMILES
Oc1ccccc1F
Molecular Weight1
112.10
CAS
367-12-4
Other Names
  • 1-Fluoro-2-hydroxybenzene
  • 2-Fluorophenol
  • Phenol, o-fluoro-
  • o-Fluorophenol
Sources

Physical Properties

Property Value Unit Source
PAff 788.00 kJ/mol NIST
BasG 758.00 kJ/mol NIST
Δcliquid -2953.00 kJ/mol NIST
Δf -237.38 kJ/mol Joback Calculated Property
Δfgas -304.06 kJ/mol Joback Calculated Property
Δfus 14.20 kJ/mol Joback Calculated Property
Δvap 52.30 ± 0.80 kJ/mol NIST
IE [8.66; 8.97] eV Show Hide
IE 8.68 ± 0.02 eV NIST
IE 8.66 ± 0.01 eV NIST
IE 8.97 ± 0.02 eV NIST
IE 8.95 eV NIST
logPoct/wat 1.53 Crippen Calculated Property
Pc 5414.53 kPa Joback Calculated Property
Tboil 444.50 ± 0.50 K NIST
Tboil 444.70 K NIST
Tc 663.74 K Joback Calculated Property
Tfus 296.11 K Joback Calculated Property
Vc 0.25 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 154.19 J/mol×K 443.25 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2,6-Difluorophenol. 2,5-Difluorophenol. 2,4-Difluorophenol. Phenol, 3-fluoro-. Phenol, 4-fluoro-. 4-F-phenoxy. 2,3-Difluorophenol. 2,4,6-Trifluorophenol. 2-Fluoroanisole. 3,5-Difluorophenol. Benzene, 1-ethoxy-2-fluoro-. 3,4-Difluorophenol. Phenol,2,4,5-trifluoro-. 2,4-Difluoroanisole. 2,3,6-Trifluorophenol.

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