ChemSpider 2D Image | 2,2,2-Trifluoro-1-[2-(propylsulfanyl)phenyl]ethanone | C11H11F3OS

2,2,2-Trifluoro-1-[2-(propylsulfanyl)phenyl]ethanone

  • Molecular FormulaC11H11F3OS
  • Average mass248.265 Da
  • Monoisotopic mass248.048264 Da
  • ChemSpider ID35330762

More details:

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

1443354-11-7 [RN]
2,2,2-Trifluor-1-[2-(propylsulfanyl)phenyl]ethanon [German] [ACD/IUPAC Name]
2,2,2-Trifluoro-1-[2-(propylsulfanyl)phenyl]ethanone [ACD/IUPAC Name]
2,2,2-Trifluoro-1-[2-(propylsulfanyl)phényl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2,2,2-trifluoro-1-[2-(propylthio)phenyl]- [ACD/Index Name]
2'-(n-Propylthio)-2,2,2-trifluoroacetophenone
atoms 16 bonds 16
MFCD16293612

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

Density: 1.2±0.1 g/cm3
Boiling Point: 276.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.5±3.0 kJ/mol
Flash Point: 120.8±27.3 °C
Index of Refraction: 1.499
Molar Refractivity: 58.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 486.48
ACD/KOC (pH 5.5): 2917.45
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 486.48
ACD/KOC (pH 7.4): 2917.45
Polar Surface Area: 42 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 34.9±5.0 dyne/cm
Molar Volume: 198.9±5.0 cm3

Click to predict properties on the Chemicalize site


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