ChemSpider 2D Image | 1,3-Difluoro-2-(2,2,2-trifluoroethyl)benzene | C8H5F5

1,3-Difluoro-2-(2,2,2-trifluoroethyl)benzene

  • Molecular FormulaC8H5F5
  • Average mass196.117 Da
  • Monoisotopic mass196.031143 Da
  • ChemSpider ID21436789

More details:

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

1,3-Difluor-2-(2,2,2-trifluorethyl)benzol [German] [ACD/IUPAC Name]
1,3-Difluoro-2-(2,2,2-trifluoroethyl)benzene [ACD/IUPAC Name]
1,3-Difluoro-2-(2,2,2-trifluoroéthyl)benzène [French] [ACD/IUPAC Name]
1099597-33-7 [RN]
Benzene, 1,3-difluoro-2-(2,2,2-trifluoroethyl)- [ACD/Index Name]
MFCD11226576 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 121.5±40.0 °C at 760 mmHg
    Vapour Pressure: 17.4±0.2 mmHg at 25°C
    Enthalpy of Vaporization: 34.5±3.0 kJ/mol
    Flash Point: 32.9±14.2 °C
    Index of Refraction: 1.408
    Molar Refractivity: 36.2±0.3 cm3
    #H bond acceptors: 0
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.52
    ACD/LogD (pH 5.5): 2.84
    ACD/BCF (pH 5.5): 85.09
    ACD/KOC (pH 5.5): 837.57
    ACD/LogD (pH 7.4): 2.84
    ACD/BCF (pH 7.4): 85.09
    ACD/KOC (pH 7.4): 837.57
    Polar Surface Area: 0 Å2
    Polarizability: 14.4±0.5 10-24cm3
    Surface Tension: 22.9±3.0 dyne/cm
    Molar Volume: 147.1±3.0 cm3

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