ChemSpider 2D Image | 2,6-Bis[(~2~H_3_)methyl](~2~H_3_)phenol | C8HD9O

2,6-Bis[(2H3)methyl](2H3)phenol

  • Molecular FormulaC8HD9O
  • Average mass131.220 Da
  • Monoisotopic mass131.129654 Da
  • ChemSpider ID48060264

  • Non-standard isotope - Non-standard isotope

More details:

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

2,6-Bis[(2H3)methyl](2H3)phenol [German] [ACD/IUPAC Name]
2,6-Bis[(2H3)methyl](2H3)phenol [ACD/IUPAC Name]
2,6-Bis[(2H3)méthyl](2H3)phénol [French] [ACD/IUPAC Name]
Phenol-3,4,5-d3, 2,6-di(methyl-d3)- [ACD/Index Name]
1021325-40-5 [RN]
2,6-dimethylphenol-d9 (major)
3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenol

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 201.1±0.0 °C at 760 mmHg
    Vapour Pressure: 0.2±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 45.5±3.0 kJ/mol
    Flash Point: 78.3±0.0 °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): 2.43
    ACD/BCF (pH 5.5): 41.69
    ACD/KOC (pH 5.5): 502.64
    ACD/LogD (pH 7.4): 2.43
    ACD/BCF (pH 7.4): 41.67
    ACD/KOC (pH 7.4): 502.36
    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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