ChemSpider 2D Image | 1-[3-(Methylsulfanyl)-4-(trifluoromethyl)phenyl]-1-propanone | C11H11F3OS

1-[3-(Methylsulfanyl)-4-(trifluoromethyl)phenyl]-1-propanone

  • Molecular FormulaC11H11F3OS
  • Average mass248.265 Da
  • Monoisotopic mass248.048264 Da
  • ChemSpider ID57380196

More details:

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

1-[3-(Methylsulfanyl)-4-(trifluormethyl)phenyl]-1-propanon [German] [ACD/IUPAC Name]
1-[3-(Methylsulfanyl)-4-(trifluoromethyl)phenyl]-1-propanone [ACD/IUPAC Name]
1-[3-(Méthylsulfanyl)-4-(trifluorométhyl)phényl]-1-propanone [French] [ACD/IUPAC Name]
1-[3-(methylsulfanyl)-4-(trifluoromethyl)phenyl]propan-1-one
1806708-44-0 [RN]
1-Propanone, 1-[3-(methylthio)-4-(trifluoromethyl)phenyl]- [ACD/Index Name]
1-(3-(Methylthio)-4-(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: 303.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.4±3.0 kJ/mol
Flash Point: 137.5±27.9 °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: 4.19
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 607.66
ACD/KOC (pH 5.5): 3420.97
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 607.66
ACD/KOC (pH 7.4): 3420.97
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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