Chemical Properties of 2,3,6-Trifluorophenol (CAS 113798-74-6)

2,3,6-Trifluorophenol

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C6H3F3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H
InChI Key
QSFGUSFDWCVXNR-UHFFFAOYSA-N
Formula
C6H3F3O
SMILES
Oc1c(F)ccc(F)c1F
Molecular Weight1
148.08
CAS
113798-74-6
Sources

Physical Properties

Property Value Unit Source
Δf -646.26 kJ/mol Joback Calculated Property
Δfgas -719.22 kJ/mol Joback Calculated Property
Δfus 19.58 kJ/mol Joback Calculated Property
Δvap 43.11 kJ/mol Joback Calculated Property
logPoct/wat 1.81 Crippen Calculated Property
Pc 4571.55 kPa Joback Calculated Property
Tboil 451.75 K Joback Calculated Property
Tc 651.70 K Joback Calculated Property
Tfus 322.33 K Joback Calculated Property
Vc 0.28 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 171.14 J/mol×K 451.75 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 4
-F 3
-OH (phenol) 1
=CH- (ring) 2

Similar Compounds

2,3,5,6-Tetrafluorophenol. 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-. 2,6-Difluorophenol. Benzene, pentafluoromethoxy-. 2,4,6-Trifluorophenol. 2,3,4-Trifluorophenol, methyl ether. 2,4-Difluorophenol.

Find more compounds similar to 2,3,6-Trifluorophenol.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.