ChemSpider 2D Image | 2-Phenyl(3,3,4,4,4-~2~H_5_)butanoic acid | C10H7D5O2

2-Phenyl(3,3,4,4,4-2H5)butanoic acid

  • Molecular FormulaC10H7D5O2
  • Average mass169.232 Da
  • Monoisotopic mass169.115112 Da
  • ChemSpider ID35467399

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Phenyl(3,3,4,4,4-2H5)butanoic acid [ACD/IUPAC Name]
2-Phenyl(3,3,4,4,4-2H5)butansäure [German] [ACD/IUPAC Name]
Acide 2-phényl(3,3,4,4,4-2H5)butanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-(ethyl-d5)- [ACD/Index Name]
1189708-92-6 [RN]
2-Phenylbutyric Acid-d5
3,3,4,4,4-pentadeuterio-2-phenylbutanoic acid

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 272.9±9.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.0±3.0 kJ/mol
    Flash Point: 170.2±13.9 °C
    Index of Refraction: 1.531
    Molar Refractivity: 46.6±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.38
    ACD/LogD (pH 5.5): 0.97
    ACD/BCF (pH 5.5): 1.67
    ACD/KOC (pH 5.5): 23.11
    ACD/LogD (pH 7.4): -0.82
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 37 Å2
    Polarizability: 18.5±0.5 10-24cm3
    Surface Tension: 42.2±3.0 dyne/cm
    Molar Volume: 150.6±3.0 cm3

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