ChemSpider 2D Image | Fluoro(2-propyn-1-yl)malonic acid | C6H5FO4

Fluoro(2-propyn-1-yl)malonic acid

  • Molecular FormulaC6H5FO4
  • Average mass160.100 Da
  • Monoisotopic mass160.017181 Da
  • ChemSpider ID58225540

More details:

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

Acide fluoro(2-propyn-1-yl)malonique [French] [ACD/IUPAC Name]
Fluor(2-propin-1-yl)malonsäure [German] [ACD/IUPAC Name]
Fluoro(2-propyn-1-yl)malonic acid [ACD/IUPAC Name]
Propanedioic acid, 2-fluoro-2-(2-propyn-1-yl)- [ACD/Index Name]
2098024-40-7 [RN]
2-fluoro-2-(prop-2-yn-1-yl)propanedioic acid
2-fluoro-2-prop-2-ynylpropanedioic acid
MFCD30482227

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 343.7±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 64.6±6.0 kJ/mol
    Flash Point: 161.7±27.9 °C
    Index of Refraction: 1.495
    Molar Refractivity: 30.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.48
    ACD/LogD (pH 5.5): -4.32
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.33
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 75 Å2
    Polarizability: 12.3±0.5 10-24cm3
    Surface Tension: 62.3±3.0 dyne/cm
    Molar Volume: 106.1±3.0 cm3

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