ChemSpider 2D Image | Ethyl 2-bromo-3,3,3-trifluoropropanoate | C5H6BrF3O2

Ethyl 2-bromo-3,3,3-trifluoropropanoate

  • Molecular FormulaC5H6BrF3O2
  • Average mass234.999 Da
  • Monoisotopic mass233.950317 Da
  • ChemSpider ID28421789

More details:






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

108221-68-7 [RN]
2-Bromo-3,3,3-trifluoropropanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-bromo-3,3,3-trifluoropropanoate [ACD/IUPAC Name]
Ethyl-2-brom-3,3,3-trifluorpropanoat [German] [ACD/IUPAC Name]
Propanoic acid, 2-bromo-3,3,3-trifluoro-, ethyl ester [ACD/Index Name]
Ethyl 2-bromo-3,3,3-trifluoropropionate
ethyl2-bromo-3,3,3-trifluoropropanoate
ethyl-2-bromo-3,3,3-trifluoropropanoate
MFCD18641866 [MDL number]
MS-20496

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 153.3±35.0 °C at 760 mmHg
    Vapour Pressure: 3.4±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 39.0±3.0 kJ/mol
    Flash Point: 46.5±25.9 °C
    Index of Refraction: 1.401
    Molar Refractivity: 35.1±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.58
    ACD/LogD (pH 5.5): 2.33
    ACD/BCF (pH 5.5): 34.48
    ACD/KOC (pH 5.5): 438.71
    ACD/LogD (pH 7.4): 2.33
    ACD/BCF (pH 7.4): 34.48
    ACD/KOC (pH 7.4): 438.71
    Polar Surface Area: 26 Å2
    Polarizability: 13.9±0.5 10-24cm3
    Surface Tension: 26.9±3.0 dyne/cm
    Molar Volume: 144.5±3.0 cm3

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