ChemSpider 2D Image | 1-[2-(Trifluoromethyl)phenyl]-1-pentanone | C12H13F3O

1-[2-(Trifluoromethyl)phenyl]-1-pentanone

  • Molecular FormulaC12H13F3O
  • Average mass230.226 Da
  • Monoisotopic mass230.091843 Da
  • ChemSpider ID32676571

More details:

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

1-[2-(Trifluormethyl)phenyl]-1-pentanon [German] [ACD/IUPAC Name]
1-[2-(Trifluoromethyl)phenyl]-1-pentanone [ACD/IUPAC Name]
1-[2-(Trifluorométhyl)phényl]-1-pentanone [French] [ACD/IUPAC Name]
1-Pentanone, 1-[2-(trifluoromethyl)phenyl]- [ACD/Index Name]
1-(2-(trifluoromethyl)phenyl)pentan-1-one
1-[2-(trifluoromethyl)phenyl]pentan-1-one
42916-64-3 [RN]
MFCD21917510

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 263.4±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 50.1±3.0 kJ/mol
    Flash Point: 133.7±18.8 °C
    Index of Refraction: 1.453
    Molar Refractivity: 55.2±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.23
    ACD/LogD (pH 5.5): 3.96
    ACD/BCF (pH 5.5): 599.10
    ACD/KOC (pH 5.5): 3386.40
    ACD/LogD (pH 7.4): 3.96
    ACD/BCF (pH 7.4): 599.10
    ACD/KOC (pH 7.4): 3386.40
    Polar Surface Area: 17 Å2
    Polarizability: 21.9±0.5 10-24cm3
    Surface Tension: 27.9±3.0 dyne/cm
    Molar Volume: 204.0±3.0 cm3

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