ChemSpider 2D Image | 1,1,2-Trifluoro-1-(phenylsulfanyl)-3-pentanone | C11H11F3OS

1,1,2-Trifluoro-1-(phenylsulfanyl)-3-pentanone

  • Molecular FormulaC11H11F3OS
  • Average mass248.265 Da
  • Monoisotopic mass248.048264 Da
  • ChemSpider ID28715611

More details:

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

1,1,2-Trifluor-1-(phenylsulfanyl)-3-pentanon [German] [ACD/IUPAC Name]
1,1,2-Trifluoro-1-(phenylsulfanyl)-3-pentanone [ACD/IUPAC Name]
1,1,2-Trifluoro-1-(phénylsulfanyl)-3-pentanone [French] [ACD/IUPAC Name]
3-Pentanone, 1,1,2-trifluoro-1-(phenylthio)- [ACD/Index Name]
1,1,2-Trifluoro-1-(phenylsulfanyl)pentan-3-one
101361-07-3 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 268.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.7±3.0 kJ/mol
Flash Point: 116.2±27.3 °C
Index of Refraction: 1.496
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: 4.35
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 160.67
ACD/KOC (pH 5.5): 1320.11
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 160.67
ACD/KOC (pH 7.4): 1320.11
Polar Surface Area: 42 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 34.1±5.0 dyne/cm
Molar Volume: 200.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement