ChemSpider 2D Image | 2-(3-Isobutylphenyl)(3,3,3-~2~H_3_)propanoic acid | C13H15D3O2

2-(3-Isobutylphenyl)(3,3,3-2H3)propanoic acid

  • Molecular FormulaC13H15D3O2
  • Average mass209.299 Da
  • Monoisotopic mass209.149506 Da
  • ChemSpider ID48060927

  • Non-standard isotope - Non-standard isotope

More details:

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

2-(3-Isobutylphenyl)(3,3,3-2H3)propanoic acid [ACD/IUPAC Name]
2-(3-Isobutylphenyl)(3,3,3-2H3)propansäure [German] [ACD/IUPAC Name]
Acide 2-(3-isobutylphényl)(3,3,3-2H3)propanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-(methyl-d3)-3-(2-methylpropyl)- [ACD/Index Name]
1346598-90-0 [RN]
3,3,3-trideuterio-2-[3-(2-methylpropyl)phenyl]propanoic acid
m-Isobutyl Ibuprofen-d3

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 314.8±11.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.7±3.0 kJ/mol
    Flash Point: 211.9±14.4 °C
    Index of Refraction: 1.519
    Molar Refractivity: 60.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.72
    ACD/LogD (pH 5.5): 2.19
    ACD/BCF (pH 5.5): 14.12
    ACD/KOC (pH 5.5): 106.88
    ACD/LogD (pH 7.4): 0.40
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.72
    Polar Surface Area: 37 Å2
    Polarizability: 24.1±0.5 10-24cm3
    Surface Tension: 38.1±3.0 dyne/cm
    Molar Volume: 200.3±3.0 cm3

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