Chemical Properties of 2,6-Difluorobutyrophenone (CAS 95727-77-8)

2,6-Difluorobutyrophenone

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InChI
InChI=1S/C10H10F2O/c1-2-4-9(13)10-7(11)5-3-6-8(10)12/h3,5-6H,2,4H2,1H3
InChI Key
MNDPYRXCTIANDJ-UHFFFAOYSA-N
Formula
C10H10F2O
SMILES
CCCC(=O)c1c(F)cccc1F
Molecular Weight1
184.18
CAS
95727-77-8
Sources

Physical Properties

Property Value Unit Source
Δf -392.07 kJ/mol Joback Calculated Property
Δfgas -540.94 kJ/mol Joback Calculated Property
Δfus 22.68 kJ/mol Joback Calculated Property
Δvap 46.57 kJ/mol Joback Calculated Property
logPoct/wat 2.95 Crippen Calculated Property
Pc 2758.46 kPa Joback Calculated Property
Tboil 517.25 K Joback Calculated Property
Tc 713.39 K Joback Calculated Property
Tfus 305.03 K Joback Calculated Property
Vc 0.53 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 293.18 J/mol×K 517.25 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-F 2
=CH- (ring) 3
=C< (ring) 3
-CH2- 2
>C=O (nonring) 1
-CH3 1

Similar Compounds

1-Propanone, 1-(2,6-difluorophenyl)-. 1-Propanone, 1-(2,4-difluorophenyl)-. Ethanone, 1-(2,6-difluorophenyl)-. 2',5'-difluoropropiophenone. Ethanone, 1-(2,4-difluorophenyl)-. o-Fluoroacetophenone. 2,3,6-Trifluoroacetophenone. 2,3-Difluoroacetophenone. 1-(4-Fluorophenyl)-1-butanone. 2',3',4',5',6'-Pentafluoroacetophenone. 2-Fluoro-5-(trifluoromethyl)propiophenone. 4'-Fluorovalerophenone. 2',5'-Difluoroacetophenone. 1-Butanone, 4-chloro-1-(4-fluorophenyl)-. 3,5-Difluoropropiophenone.

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