ChemSpider 2D Image | 1,2,3-Trifluoro-4-(trifluoromethoxy)benzene | C7H2F6O

1,2,3-Trifluoro-4-(trifluoromethoxy)benzene

  • Molecular FormulaC7H2F6O
  • Average mass216.081 Da
  • Monoisotopic mass216.000977 Da
  • ChemSpider ID29314451

More details:

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

1,2,3-Trifluor-4-(trifluormethoxy)benzol [German] [ACD/IUPAC Name]
1,2,3-Trifluoro-4-(trifluoromethoxy)benzene [ACD/IUPAC Name]
1,2,3-Trifluoro-4-(trifluorométhoxy)benzène [French] [ACD/IUPAC Name]
Benzene, 1,2,3-trifluoro-4-(trifluoromethoxy)- [ACD/Index Name]
1404194-95-1 [RN]
MFCD22580900 [MDL number]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 118.2±35.0 °C at 760 mmHg
    Vapour Pressure: 20.1±0.2 mmHg at 25°C
    Enthalpy of Vaporization: 34.2±3.0 kJ/mol
    Flash Point: 30.9±21.8 °C
    Index of Refraction: 1.385
    Molar Refractivity: 33.4±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.26
    ACD/LogD (pH 5.5): 3.05
    ACD/BCF (pH 5.5): 121.75
    ACD/KOC (pH 5.5): 1082.43
    ACD/LogD (pH 7.4): 3.05
    ACD/BCF (pH 7.4): 121.75
    ACD/KOC (pH 7.4): 1082.43
    Polar Surface Area: 9 Å2
    Polarizability: 13.2±0.5 10-24cm3
    Surface Tension: 22.1±3.0 dyne/cm
    Molar Volume: 142.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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