Chemical Properties of 2,3,5,6-Tetrafluorophenol (CAS 769-39-1)

2,3,5,6-Tetrafluorophenol

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InChI
InChI=1S/C6H2F4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H
InChI Key
PBYIIRLNRCVTMQ-UHFFFAOYSA-N
Formula
C6H2F4O
SMILES
Oc1c(F)c(F)cc(F)c1F
Molecular Weight1
166.07
CAS
769-39-1
Other Names
  • Phenol, 2,3,5,6-tetrafluoro-
Sources

Physical Properties

Property Value Unit Source
Δf -850.70 kJ/mol Joback Calculated Property
Δfgas -926.80 kJ/mol Joback Calculated Property
Δfus 22.27 kJ/mol Joback Calculated Property
Δvap 42.96 kJ/mol Joback Calculated Property
IE 9.40 ± 0.02 eV NIST
logPoct/wat 1.95 Crippen Calculated Property
Pc 4222.04 kPa Joback Calculated Property
Tboil 415.00 K NIST
Tboil 413.20 K NIST
Tc 646.82 K Joback Calculated Property
Tfus 335.44 K Joback Calculated Property
Vc 0.30 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 179.42 J/mol×K 456.0 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 5
-F 4
-OH (phenol) 1
=CH- (ring) 1

Similar Compounds

2,3,6-Trifluorophenol. Tetrafluorohydroquinone. Phenol, pentafluoro-. Phenol,2,4,5-trifluoro-. Phenol,2,3,4-trifluoro-. 2,3-Difluorophenol. 2,3,5,6-Tetrafluoroanisole. 2,5-Difluorophenol. Hydroxylamine, O-pentafluorobenzoyl. Benzene 1,2,4,5-tetrafluoro-3,6-dimethoxy-. Benzene, pentafluoromethoxy-. 2,4,6-Trifluorophenol. 2,6-Difluorophenol. 2,4-Difluorophenol. 2,3,4-Trifluorophenol, methyl ether.

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