ChemSpider 2D Image | 3,4-Bis[(~2~H_3_)methyl]phenol | C8H4D6O

3,4-Bis[(2H3)methyl]phenol

  • Molecular FormulaC8H4D6O
  • Average mass128.201 Da
  • Monoisotopic mass128.110825 Da
  • ChemSpider ID48060733

  • Non-standard isotope - Non-standard isotope

More details:

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

1346599-02-7 [RN]
3,4-Bis[(2H3)methyl]phenol [German] [ACD/IUPAC Name]
3,4-Bis[(2H3)methyl]phenol [ACD/IUPAC Name]
3,4-Bis[(2H3)méthyl]phénol [French] [ACD/IUPAC Name]
Phenol, 3,4-di(methyl-d3)- [ACD/Index Name]
3,4-Dimethylphenol-d6

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 226.9±0.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 48.2±3.0 kJ/mol
    Flash Point: 94.0±7.2 °C
    Index of Refraction: 1.540
    Molar Refractivity: 37.8±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 2.40
    ACD/LogD (pH 5.5): 2.36
    ACD/BCF (pH 5.5): 36.56
    ACD/KOC (pH 5.5): 457.53
    ACD/LogD (pH 7.4): 2.36
    ACD/BCF (pH 7.4): 36.52
    ACD/KOC (pH 7.4): 457.05
    Polar Surface Area: 20 Å2
    Polarizability: 15.0±0.5 10-24cm3
    Surface Tension: 37.3±3.0 dyne/cm
    Molar Volume: 120.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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