ChemSpider 2D Image | 4-(trifluoromethyl)oxane-4-carboxylic acid | C7H9F3O3

4-(trifluoromethyl)oxane-4-carboxylic acid

  • Molecular FormulaC7H9F3O3
  • Average mass198.140 Da
  • Monoisotopic mass198.050385 Da
  • ChemSpider ID37512137

More details:

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

1524761-14-5 [RN]
2H-Pyran-4-carboxylic acid, tetrahydro-4-(trifluoromethyl)- [ACD/Index Name]
4-(Trifluormethyl)tetrahydro-2H-pyran-4-carbonsäure [German] [ACD/IUPAC Name]
4-(trifluoromethyl)oxane-4-carboxylic acid
4-(Trifluoromethyl)tetrahydro-2H-pyran-4-carboxylic acid [ACD/IUPAC Name]
Acide 4-(trifluorométhyl)tétrahydro-2H-pyrane-4-carboxylique [French] [ACD/IUPAC Name]
MFCD29991294

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 244.2±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 53.0±6.0 kJ/mol
    Flash Point: 101.5±27.3 °C
    Index of Refraction: 1.416
    Molar Refractivity: 35.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.12
    ACD/LogD (pH 5.5): -2.33
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.61
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 47 Å2
    Polarizability: 14.1±0.5 10-24cm3
    Surface Tension: 34.9±3.0 dyne/cm
    Molar Volume: 141.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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