ChemSpider 2D Image | 2-(4-Isobutylphenyl)-1-(3,3,3-~2~H_3_)propanol | C13H17D3O

2-(4-Isobutylphenyl)-1-(3,3,3-2H3)propanol

  • Molecular FormulaC13H17D3O
  • Average mass195.316 Da
  • Monoisotopic mass195.170242 Da
  • ChemSpider ID48061014

  • Non-standard isotope - Non-standard isotope

More details:

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

2-(4-Isobutylphenyl)-1-(3,3,3-2H3)propanol [German] [ACD/IUPAC Name]
2-(4-Isobutylphenyl)-1-(3,3,3-2H3)propanol [ACD/IUPAC Name]
2-(4-Isobutylphényl)-1-(3,3,3-2H3)propanol [French] [ACD/IUPAC Name]
Benzeneethanol, β-(methyl-d3)-4-(2-methylpropyl)- [ACD/Index Name]
1794979-83-1 [RN]
3,3,3-trideuterio-2-[4-(2-methylpropyl)phenyl]propan-1-ol
ibuprofen-d3alcohol

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 223.9±8.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 48.7±3.0 kJ/mol
    Flash Point: 105.3±3.7 °C
    Index of Refraction: 1.510
    Molar Refractivity: 60.7±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.58
    ACD/LogD (pH 5.5): 3.31
    ACD/BCF (pH 5.5): 191.28
    ACD/KOC (pH 5.5): 1495.65
    ACD/LogD (pH 7.4): 3.31
    ACD/BCF (pH 7.4): 191.28
    ACD/KOC (pH 7.4): 1495.65
    Polar Surface Area: 20 Å2
    Polarizability: 24.1±0.5 10-24cm3
    Surface Tension: 34.5±3.0 dyne/cm
    Molar Volume: 203.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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