ChemSpider 2D Image | 2,2-Dimethyl-1-[4-(trifluoromethyl)phenyl]-1-propanone | C12H13F3O

2,2-Dimethyl-1-[4-(trifluoromethyl)phenyl]-1-propanone

  • Molecular FormulaC12H13F3O
  • Average mass230.226 Da
  • Monoisotopic mass230.091843 Da
  • ChemSpider ID21398776

More details:

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

1-Propanone, 2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]- [ACD/Index Name]
2,2-Dimethyl-1-[4-(trifluormethyl)phenyl]-1-propanon [German] [ACD/IUPAC Name]
2,2-Dimethyl-1-[4-(trifluoromethyl)phenyl]-1-propanone [ACD/IUPAC Name]
2,2-Diméthyl-1-[4-(trifluorométhyl)phényl]-1-propanone [French] [ACD/IUPAC Name]
1-[4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-one
2,2-dimethyl -4'-trifluoromethylpropiophenone
2,2-dimethyl-1-(4-(trifluoromethyl)phenyl)propan-1-one
2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-one
2,2-dimethyl-4'-trifluoromethylpropiophenone
2,2-dimethyl-4-trifluoromethylpropiophenone
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 257.0±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.4±3.0 kJ/mol
    Flash Point: 131.5±18.8 °C
    Index of Refraction: 1.453
    Molar Refractivity: 55.1±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.86
    ACD/LogD (pH 5.5): 3.88
    ACD/BCF (pH 5.5): 522.86
    ACD/KOC (pH 5.5): 3072.02
    ACD/LogD (pH 7.4): 3.88
    ACD/BCF (pH 7.4): 522.86
    ACD/KOC (pH 7.4): 3072.02
    Polar Surface Area: 17 Å2
    Polarizability: 21.9±0.5 10-24cm3
    Surface Tension: 26.8±3.0 dyne/cm
    Molar Volume: 204.0±3.0 cm3

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