ChemSpider 2D Image | 1-[4-(Trifluoromethoxy)phenyl]-1-hexanone | C13H15F3O2

1-[4-(Trifluoromethoxy)phenyl]-1-hexanone

  • Molecular FormulaC13H15F3O2
  • Average mass260.252 Da
  • Monoisotopic mass260.102417 Da
  • ChemSpider ID28535749

More details:

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

1-[4-(Trifluormethoxy)phenyl]-1-hexanon [German] [ACD/IUPAC Name]
1-[4-(Trifluoromethoxy)phenyl]-1-hexanone [ACD/IUPAC Name]
1-[4-(Trifluorométhoxy)phényl]-1-hexanone [French] [ACD/IUPAC Name]
1-Hexanone, 1-[4-(trifluoromethoxy)phenyl]- [ACD/Index Name]
[1365271-68-6] [RN]
1-(4-(Trifluoromethoxy)phenyl)hexan-1-one
1-[4-(TRIFLUOROMETHOXY)PHENYL]HEXAN-1-ONE
1365271-68-6 [RN]
MFCD21609708
SH-5104

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 289.3±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.9±3.0 kJ/mol
    Flash Point: 124.7±20.8 °C
    Index of Refraction: 1.457
    Molar Refractivity: 61.9±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 4.90
    ACD/LogD (pH 5.5): 4.44
    ACD/BCF (pH 5.5): 1387.82
    ACD/KOC (pH 5.5): 6178.48
    ACD/LogD (pH 7.4): 4.44
    ACD/BCF (pH 7.4): 1387.82
    ACD/KOC (pH 7.4): 6178.48
    Polar Surface Area: 26 Å2
    Polarizability: 24.6±0.5 10-24cm3
    Surface Tension: 29.9±3.0 dyne/cm
    Molar Volume: 227.4±3.0 cm3

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