ChemSpider 2D Image | 2,4,4-Trifluorobutanoic acid | C4H5F3O2

2,4,4-Trifluorobutanoic acid

  • Molecular FormulaC4H5F3O2
  • Average mass142.077 Da
  • Monoisotopic mass142.024170 Da
  • ChemSpider ID58214331

More details:

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

2,4,4-Trifluorbutansäure [German] [ACD/IUPAC Name]
2,4,4-Trifluorobutanoic acid [ACD/IUPAC Name]
Acide 2,4,4-trifluorobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2,4,4-trifluoro- [ACD/Index Name]
2090174-41-5 [RN]
MFCD30482631

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 193.6±35.0 °C at 760 mmHg
    Vapour Pressure: 0.2±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 47.4±6.0 kJ/mol
    Flash Point: 70.9±25.9 °C
    Index of Refraction: 1.345
    Molar Refractivity: 22.6±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.39
    ACD/LogD (pH 5.5): -2.88
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.41
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 37 Å2
    Polarizability: 8.9±0.5 10-24cm3
    Surface Tension: 24.5±3.0 dyne/cm
    Molar Volume: 106.3±3.0 cm3

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