ChemSpider 2D Image | 1-[2-(Methylsulfanyl)-6-(trifluoromethyl)phenyl]-1-propanone | C11H11F3OS

1-[2-(Methylsulfanyl)-6-(trifluoromethyl)phenyl]-1-propanone

  • Molecular FormulaC11H11F3OS
  • Average mass248.265 Da
  • Monoisotopic mass248.048264 Da
  • ChemSpider ID57354336

More details:

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

1-[2-(Methylsulfanyl)-6-(trifluormethyl)phenyl]-1-propanon [German] [ACD/IUPAC Name]
1-[2-(Methylsulfanyl)-6-(trifluoromethyl)phenyl]-1-propanone [ACD/IUPAC Name]
1-[2-(Méthylsulfanyl)-6-(trifluorométhyl)phényl]-1-propanone [French] [ACD/IUPAC Name]
1-[2-(methylsulfanyl)-6-(trifluoromethyl)phenyl]propan-1-one
1804071-86-0 [RN]
1-Propanone, 1-[2-(methylthio)-6-(trifluoromethyl)phenyl]- [ACD/Index Name]
1-(2-(Methylthio)-6-(trifluoromethyl)phenyl)propan-1-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 284.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.3±3.0 kJ/mol
Flash Point: 125.8±27.3 °C
Index of Refraction: 1.500
Molar Refractivity: 58.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 626.29
ACD/KOC (pH 5.5): 3495.71
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 626.29
ACD/KOC (pH 7.4): 3495.71
Polar Surface Area: 42 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 34.7±5.0 dyne/cm
Molar Volume: 198.5±5.0 cm3

Click to predict properties on the Chemicalize site


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