ChemSpider 2D Image | 4-(m-tolyl)tetrahydro-2H-pyran-4-carboxylic acid | C13H16O3

4-(m-tolyl)tetrahydro-2H-pyran-4-carboxylic acid

  • Molecular FormulaC13H16O3
  • Average mass220.264 Da
  • Monoisotopic mass220.109940 Da
  • ChemSpider ID17817043

More details:

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

2H-Pyran-4-carboxylic acid, tetrahydro-4-(3-methylphenyl)- [ACD/Index Name]
4-(3-Methylphenyl)tetrahydro-2H-pyran-4-carbonsäure [German] [ACD/IUPAC Name]
4-(3-Methylphenyl)tetrahydro-2H-pyran-4-carboxylic acid [ACD/IUPAC Name]
4-(m-tolyl)tetrahydro-2H-pyran-4-carboxylic acid
889940-10-7 [RN]
Acide 4-(3-méthylphényl)tétrahydro-2H-pyrane-4-carboxylique [French] [ACD/IUPAC Name]
tetrahydro-4-(3-methylphenyl)-2H-Pyran-4-carboxylic acid
[889940-10-7] [RN]
4-(3-methylphenyl)-2H-3,4,5,6-tetrahydropyran-4-carboxylic acid
4-(3-methylphenyl)oxane-4-carboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD08445815 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 379.9±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 66.2±3.0 kJ/mol
    Flash Point: 145.2±21.4 °C
    Index of Refraction: 1.548
    Molar Refractivity: 59.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.99
    ACD/LogD (pH 5.5): 0.87
    ACD/BCF (pH 5.5): 1.15
    ACD/KOC (pH 5.5): 14.22
    ACD/LogD (pH 7.4): -0.86
    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: 46.1±3.0 dyne/cm
    Molar Volume: 188.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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