ChemSpider 2D Image | 4-(2-chlorophenyl)oxane-4-carboxylic acid | C12H13ClO3

4-(2-chlorophenyl)oxane-4-carboxylic acid

  • Molecular FormulaC12H13ClO3
  • Average mass240.683 Da
  • Monoisotopic mass240.055328 Da
  • ChemSpider ID26053643

More details:

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

1250507-53-9 [RN]
2H-Pyran-4-carboxylic acid, 4-(2-chlorophenyl)tetrahydro- [ACD/Index Name]
4-(2-chlorophenyl)oxane-4-carboxylic acid
4-(2-Chlorophenyl)tetrahydro-2H-pyran-4-carboxylic acid [ACD/IUPAC Name]
4-(2-Chlorphenyl)tetrahydro-2H-pyran-4-carbonsäure [German] [ACD/IUPAC Name]
Acide 4-(2-chlorophényl)tétrahydro-2H-pyrane-4-carboxylique [French] [ACD/IUPAC Name]
4-(2-Chloro-phenyl)-tetrahydro-pyran-4-carboxylic acid
AC1Q7210
AGN-PC-08XTWV
AKOS008151498
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 403.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.0±3.0 kJ/mol
    Flash Point: 197.6±28.7 °C
    Index of Refraction: 1.565
    Molar Refractivity: 60.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.13
    ACD/LogD (pH 5.5): 0.72
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 9.04
    ACD/LogD (pH 7.4): -0.92
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 47 Å2
    Polarizability: 23.8±0.5 10-24cm3
    Surface Tension: 50.1±3.0 dyne/cm
    Molar Volume: 184.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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