ChemSpider 2D Image | (4-Butyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetic acid | C13H24O3

(4-Butyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetic acid

  • Molecular FormulaC13H24O3
  • Average mass228.328 Da
  • Monoisotopic mass228.172546 Da
  • ChemSpider ID29772060

More details:

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

(4-Butyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetic acid [ACD/IUPAC Name]
(4-Butyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)essigsäure [German] [ACD/IUPAC Name]
2H-Pyran-4-acetic acid, 4-butyltetrahydro-2,2-dimethyl- [ACD/Index Name]
Acide (4-butyl-2,2-diméthyltétrahydro-2H-pyran-4-yl)acétique [French] [ACD/IUPAC Name]
1574474-88-6 [RN]
2-(4-butyl-2,2-dimethyloxan-4-yl)acetic acid

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 334.4±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 63.5±6.0 kJ/mol
    Flash Point: 117.8±13.9 °C
    Index of Refraction: 1.447
    Molar Refractivity: 63.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.32
    ACD/LogD (pH 5.5): 2.55
    ACD/BCF (pH 5.5): 30.14
    ACD/KOC (pH 5.5): 214.24
    ACD/LogD (pH 7.4): 0.75
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.37
    Polar Surface Area: 47 Å2
    Polarizability: 25.1±0.5 10-24cm3
    Surface Tension: 36.3±3.0 dyne/cm
    Molar Volume: 237.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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