Chemical Properties of Benzene, pentafluoromethoxy- (CAS 389-40-2)

Benzene, pentafluoromethoxy-

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InChI
InChI=1S/C7H3F5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3
InChI Key
ZRQUIRABLIQJRI-UHFFFAOYSA-N
Formula
C7H3F5O
SMILES
COc1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
198.09
CAS
389-40-2
Other Names
  • 2,3,4,5,6-Pentafluoroanisole
  • Anisole, 2,3,4,5,6-pentafluoro-
  • Methyl pentafluorophenyl ether
  • Pentafluoroanisole
  • Pentafluorophenyl methyl ether
Sources

Physical Properties

Property Value Unit Source
EA 0.54 ± 0.09 eV NIST
Δf -1006.73 kJ/mol Joback Calculated Property
Δfgas -1121.40 kJ/mol Joback Calculated Property
Δfus 22.57 kJ/mol Joback Calculated Property
Δvap 35.09 kJ/mol Joback Calculated Property
IE 9.10 ± 0.02 eV NIST
logPoct/wat 2.39 Crippen Calculated Property
Pc 2841.41 kPa Joback Calculated Property
Tboil 411.00 K NIST
Tboil 411.70 K NIST
Tc 596.67 K Joback Calculated Property
Tfus 282.85 K Joback Calculated Property
Vc 0.43 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 205.28 J/mol×K 429.91 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< (ring) 6
-F 5
-CH3 1

Similar Compounds

2,3,4-Trifluorophenol, methyl ether. 2,3,5,6-Tetrafluoroanisole. Benzene 1,2,4,5-tetrafluoro-3,6-dimethoxy-. Phenetole: beta-bromo-2,3,4,5,6-pentafluoro-. Phenol, pentafluoro-. 2,3,4,5,6-Pentafluorophenoxy acetic acid. Phenol,2,3,4-trifluoro-. 2,3,5,6-Tetrafluorophenol. Chloroacetic acid, pentafluorophenyl ester. 2,3,6-Trifluorophenol. 2,4-Difluoroanisole. Phenol,2,4,5-trifluoro-. Tetrafluorohydroquinone. Succinic acid, di(2-(pentafluorophenoxy)ethyl) ester. Hydroxylamine, O-pentafluorobenzoyl.

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