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

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

  • Molecular FormulaC12H13ClO3
  • Average mass240.683 Da
  • Monoisotopic mass240.055328 Da
  • ChemSpider ID10652262

More details:

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

2H-Pyran-4-carboxylic acid, 4-(4-chlorophenyl)tetrahydro- [ACD/Index Name]
3648-57-5 [RN]
4-(4-chlorophenyl)oxane-4-carboxylic acid
4-(4-Chlorophenyl)tetrahydro-2H-pyran-4-carboxylic acid [ACD/IUPAC Name]
4-(4-chlorophenyl)-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID
4-(4-Chlorphenyl)tetrahydro-2H-pyran-4-carbonsäure [German] [ACD/IUPAC Name]
Acide 4-(4-chlorophényl)tétrahydro-2H-pyrane-4-carboxylique [French] [ACD/IUPAC Name]
[3648-57-5] [RN]
2H-PYRAN-4-CARBOXYLIC ACID,4-(4-CHLOROPHENYL)TETRAHYDRO
4-(4-chlorophenyl)-2H-3,4,5,6-tetrahydropyran-4-carboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 395.0±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.0±3.0 kJ/mol
    Flash Point: 192.7±27.9 °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): 0.83
    ACD/BCF (pH 5.5): 1.01
    ACD/KOC (pH 5.5): 11.82
    ACD/LogD (pH 7.4): -0.85
    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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