ChemSpider 2D Image | 2,2-Difluoro-3-hydroxypentanoic acid | C5H8F2O3

2,2-Difluoro-3-hydroxypentanoic acid

  • Molecular FormulaC5H8F2O3
  • Average mass154.112 Da
  • Monoisotopic mass154.044144 Da
  • ChemSpider ID27122366

More details:

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

1233233-76-5 [RN]
2,2-Difluor-3-hydroxypentansäure [German] [ACD/IUPAC Name]
2,2-Difluoro-3-hydroxypentanoic acid [ACD/IUPAC Name]
Acide 2,2-difluoro-3-hydroxypentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 2,2-difluoro-3-hydroxy- [ACD/Index Name]
4-(2-Methylheptan-2-yl)benzene-1,2-diol
MFCD16749763 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 263.7±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 58.2±6.0 kJ/mol
    Flash Point: 113.3±27.3 °C
    Index of Refraction: 1.413
    Molar Refractivity: 28.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.70
    ACD/LogD (pH 5.5): -3.38
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.45
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 58 Å2
    Polarizability: 11.3±0.5 10-24cm3
    Surface Tension: 36.3±3.0 dyne/cm
    Molar Volume: 114.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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