ChemSpider 2D Image | 1-(3,5-Difluoro-4-isobutoxyphenyl)ethanone | C12H14F2O2

1-(3,5-Difluoro-4-isobutoxyphenyl)ethanone

  • Molecular FormulaC12H14F2O2
  • Average mass228.235 Da
  • Monoisotopic mass228.096191 Da
  • ChemSpider ID35330272

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(3,5-Difluor-4-isobutoxyphenyl)ethanon [German] [ACD/IUPAC Name]
1-(3,5-Difluoro-4-isobutoxyphenyl)ethanone [ACD/IUPAC Name]
1-(3,5-Difluoro-4-isobutoxyphényl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[3,5-difluoro-4-(2-methylpropoxy)phenyl]- [ACD/Index Name]
1246289-00-8 [RN]
4'-iso-Butoxy-3',5'-difluoroacetophenone
atoms 16 bonds 16
MFCD18426747

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 307.0±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.8±3.0 kJ/mol
Flash Point: 135.0±21.4 °C
Index of Refraction: 1.471
Molar Refractivity: 56.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 87.42
ACD/KOC (pH 5.5): 853.95
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 87.42
ACD/KOC (pH 7.4): 853.95
Polar Surface Area: 26 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 31.1±3.0 dyne/cm
Molar Volume: 203.3±3.0 cm3

Click to predict properties on the Chemicalize site


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