ChemSpider 2D Image | 1-(Cyclobutylmethyl)-4,4-difluorocyclohexanecarboxylic acid | C12H18F2O2

1-(Cyclobutylmethyl)-4,4-difluorocyclohexanecarboxylic acid

  • Molecular FormulaC12H18F2O2
  • Average mass232.267 Da
  • Monoisotopic mass232.127487 Da
  • ChemSpider ID29304158

More details:

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

1-(Cyclobutylmethyl)-4,4-difluorcyclohexancarbonsäure [German] [ACD/IUPAC Name]
1-(Cyclobutylmethyl)-4,4-difluorocyclohexanecarboxylic acid [ACD/IUPAC Name]
1389315-19-8 [RN]
Acide 1-(cyclobutylméthyl)-4,4-difluorocyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 1-(cyclobutylmethyl)-4,4-difluoro- [ACD/Index Name]
1-(Cyclobutylmethyl)-4,4-difluorocyclohexane-1-carboxylic acid
KS-7292
MFCD22375770

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 321.6±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 61.9±6.0 kJ/mol
    Flash Point: 148.3±27.9 °C
    Index of Refraction: 1.478
    Molar Refractivity: 55.4±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.86
    ACD/LogD (pH 5.5): 1.92
    ACD/BCF (pH 5.5): 8.73
    ACD/KOC (pH 5.5): 74.92
    ACD/LogD (pH 7.4): 0.13
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.21
    Polar Surface Area: 37 Å2
    Polarizability: 22.0±0.5 10-24cm3
    Surface Tension: 37.0±5.0 dyne/cm
    Molar Volume: 195.7±5.0 cm3

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