ChemSpider 2D Image | 4-(3,5-Dimethylphenyl)oxane-4-carboxylic acid | C14H18O3

4-(3,5-Dimethylphenyl)oxane-4-carboxylic acid

  • Molecular FormulaC14H18O3
  • Average mass234.291 Da
  • Monoisotopic mass234.125595 Da
  • ChemSpider ID17920428

More details:

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

2H-Pyran-4-carboxylic acid, 4-(3,5-dimethylphenyl)tetrahydro- [ACD/Index Name]
4-(3,5-Dimethylphenyl)oxane-4-carboxylic acid
4-(3,5-Dimethylphenyl)tetrahydro-2H-pyran-4-carbonsäure [German] [ACD/IUPAC Name]
4-(3,5-Dimethylphenyl)tetrahydro-2H-pyran-4-carboxylic acid [ACD/IUPAC Name]
4-(3,5-Dimethyl-phenyl)-tetrahydro-pyran-4-carboxylic acid
919017-08-6 [RN]
Acide 4-(3,5-diméthylphényl)tétrahydro-2H-pyrane-4-carboxylique [French] [ACD/IUPAC Name]
[919017-08-6] [RN]
4-(3,5-dimethylphenyl)tetrahydropyran-4-carboxylic acid
4-(3,5-dimethylphenyl)-tetrahydropyran-4-carboxylic acid
More...

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 388.9±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 67.3±3.0 kJ/mol
    Flash Point: 145.5±21.4 °C
    Index of Refraction: 1.545
    Molar Refractivity: 64.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.45
    ACD/LogD (pH 5.5): 1.28
    ACD/BCF (pH 5.5): 2.41
    ACD/KOC (pH 5.5): 24.25
    ACD/LogD (pH 7.4): -0.45
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 47 Å2
    Polarizability: 25.7±0.5 10-24cm3
    Surface Tension: 44.7±3.0 dyne/cm
    Molar Volume: 204.9±3.0 cm3

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