ChemSpider 2D Image | 3,4-Dimethyl-5-propyl-2-furanundecanoic Acid | C20H34O3

3,4-Dimethyl-5-propyl-2-furanundecanoic Acid

  • Molecular FormulaC20H34O3
  • Average mass322.482 Da
  • Monoisotopic mass322.250793 Da
  • ChemSpider ID48060914

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

11-(3,4-Dimethyl-5-propyl-2-furyl)undecanoic acid [ACD/IUPAC Name]
11-(3,4-Dimethyl-5-propyl-2-furyl)undecansäure [German] [ACD/IUPAC Name]
2-Furanundecanoic acid, 3,4-dimethyl-5-propyl- [ACD/Index Name]
3,4-Dimethyl-5-propyl-2-furanundecanoic Acid
57818-41-4 [RN]
Acide 11-(3,4-diméthyl-5-propyl-2-furyl)undécanoïque [French] [ACD/IUPAC Name]
11-(3,4-dimethyl-5-propylfuran-2-yl)undecanoic acid
11-(3,4-dimethyl-5-propylfuran-2-yl)-undecanoic acid
11-(5-propyl-3,4-dimethylfuran-2-yl)-undecanoic acid
11D3
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 449.5±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.6±3.0 kJ/mol
    Flash Point: 225.6±27.3 °C
    Index of Refraction: 1.489
    Molar Refractivity: 95.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 1
    ACD/LogP: 7.49
    ACD/LogD (pH 5.5): 5.64
    ACD/BCF (pH 5.5): 7384.46
    ACD/KOC (pH 5.5): 12139.98
    ACD/LogD (pH 7.4): 3.85
    ACD/BCF (pH 7.4): 118.46
    ACD/KOC (pH 7.4): 194.75
    Polar Surface Area: 50 Å2
    Polarizability: 37.7±0.5 10-24cm3
    Surface Tension: 36.1±3.0 dyne/cm
    Molar Volume: 330.1±3.0 cm3

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