ChemSpider 2D Image | 3,3,3-Trifluoro-1-[3-(trifluoromethyl)phenyl]-1-propanone | C10H6F6O

3,3,3-Trifluoro-1-[3-(trifluoromethyl)phenyl]-1-propanone

  • Molecular FormulaC10H6F6O
  • Average mass256.145 Da
  • Monoisotopic mass256.032288 Da
  • ChemSpider ID40113687

More details:

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

1-Propanone, 3,3,3-trifluoro-1-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
3,3,3-Trifluor-1-[3-(trifluormethyl)phenyl]-1-propanon [German] [ACD/IUPAC Name]
3,3,3-Trifluoro-1-[3-(trifluoromethyl)phenyl]-1-propanone [ACD/IUPAC Name]
3,3,3-Trifluoro-1-[3-(trifluorométhyl)phényl]-1-propanone [French] [ACD/IUPAC Name]
1490488-18-0 [RN]
3,3,3-TRIFLUORO-1-(3-(TRIFLUOROMETHYL)PHENYL)PROPAN-1-ONE
3,3,3-trifluoro-1-[3-(trifluoromethyl)phenyl]propan-1-one
545410-47-7 [RN]
MFCD17126070

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 190.7±40.0 °C at 760 mmHg
    Vapour Pressure: 0.5±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 42.7±3.0 kJ/mol
    Flash Point: 70.3±21.5 °C
    Index of Refraction: 1.409
    Molar Refractivity: 46.4±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.86
    ACD/LogD (pH 5.5): 3.52
    ACD/BCF (pH 5.5): 277.24
    ACD/KOC (pH 5.5): 1950.76
    ACD/LogD (pH 7.4): 3.52
    ACD/BCF (pH 7.4): 277.24
    ACD/KOC (pH 7.4): 1950.76
    Polar Surface Area: 17 Å2
    Polarizability: 18.4±0.5 10-24cm3
    Surface Tension: 23.6±3.0 dyne/cm
    Molar Volume: 187.4±3.0 cm3

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