ChemSpider 2D Image | 4,5-Difluoro-2-(trifluoromethyl)benzoic acid | C8H3F5O2

4,5-Difluoro-2-(trifluoromethyl)benzoic acid

  • Molecular FormulaC8H3F5O2
  • Average mass226.100 Da
  • Monoisotopic mass226.005325 Da
  • ChemSpider ID26281102

More details:

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

261945-13-5 [RN]
4,5-Difluor-2-(trifluormethyl)benzoesäure [German] [ACD/IUPAC Name]
4,5-Difluoro-2-(trifluoromethyl)benzoic acid [ACD/IUPAC Name]
Acide 4,5-difluoro-2-(trifluorométhyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4,5-difluoro-2-(trifluoromethyl)- [ACD/Index Name]
95%
MFCD01631620

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 235.5±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.9±3.0 kJ/mol
    Flash Point: 96.3±27.3 °C
    Index of Refraction: 1.443
    Molar Refractivity: 38.2±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.17
    ACD/LogD (pH 5.5): 0.42
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.83
    ACD/LogD (pH 7.4): -0.17
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 37 Å2
    Polarizability: 15.1±0.5 10-24cm3
    Surface Tension: 31.5±3.0 dyne/cm
    Molar Volume: 143.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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