ChemSpider 2D Image | 2,2-Dimethyl-5-phenylpentanoic acid | C13H18O2

2,2-Dimethyl-5-phenylpentanoic acid

  • Molecular FormulaC13H18O2
  • Average mass206.281 Da
  • Monoisotopic mass206.130676 Da
  • ChemSpider ID15093675

More details:

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

2,2-Dimethyl-5-phenylpentanoic acid [ACD/IUPAC Name]
2,2-Dimethyl-5-phenylpentansäure [German] [ACD/IUPAC Name]
2840-74-6 [RN]
Acide 2,2-diméthyl-5-phénylpentanoïque [French] [ACD/IUPAC Name]
Benzenepentanoic acid, α,α-dimethyl- [ACD/Index Name]
Benzenepentanoic acid, a,a-dimethyl-
MFCD16306543 [MDL number]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 343.6±21.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.0±3.0 kJ/mol
    Flash Point: 240.5±17.2 °C
    Index of Refraction: 1.519
    Molar Refractivity: 60.5±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.40
    ACD/LogD (pH 5.5): 2.93
    ACD/BCF (pH 5.5): 64.69
    ACD/KOC (pH 5.5): 417.71
    ACD/LogD (pH 7.4): 1.13
    ACD/BCF (pH 7.4): 1.05
    ACD/KOC (pH 7.4): 6.76
    Polar Surface Area: 37 Å2
    Polarizability: 24.0±0.5 10-24cm3
    Surface Tension: 39.4±3.0 dyne/cm
    Molar Volume: 199.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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