ChemSpider 2D Image | 4,4,4-Trifluoro-3,3-dimethylbutanoic acid | C6H9F3O2

4,4,4-Trifluoro-3,3-dimethylbutanoic acid

  • Molecular FormulaC6H9F3O2
  • Average mass170.130 Da
  • Monoisotopic mass170.055466 Da
  • ChemSpider ID34208663

More details:

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

4,4,4-Trifluor-3,3-dimethylbutansäure [German] [ACD/IUPAC Name]
4,4,4-Trifluoro-3,3-dimethylbutanoic acid [ACD/IUPAC Name]
Acide 4,4,4-trifluoro-3,3-diméthylbutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4,4,4-trifluoro-3,3-dimethyl- [ACD/Index Name]
1246218-76-7 [RN]
MFCD20659710

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 175.6±35.0 °C at 760 mmHg
    Vapour Pressure: 0.5±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 45.4±6.0 kJ/mol
    Flash Point: 60.0±25.9 °C
    Index of Refraction: 1.376
    Molar Refractivity: 31.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.59
    ACD/LogD (pH 5.5): 0.38
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 8.71
    ACD/LogD (pH 7.4): -1.37
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 37 Å2
    Polarizability: 12.6±0.5 10-24cm3
    Surface Tension: 25.4±3.0 dyne/cm
    Molar Volume: 138.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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