ChemSpider 2D Image | 4,4'-(2,3-Dimethyl-1,4-butanediyl)di[1,2-(~2~H_3_)benzenediol] | C18H16D6O4

4,4'-(2,3-Dimethyl-1,4-butanediyl)di[1,2-(2H3)benzenediol]

  • Molecular FormulaC18H16D6O4
  • Average mass308.402 Da
  • Monoisotopic mass308.189484 Da
  • ChemSpider ID48062767

  • Non-standard isotope - Non-standard isotope

More details:

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

1,2-Benzene-d3-diol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis- [ACD/Index Name]
4,4'-(2,3-Dimethyl-1,4-butandiyl)di[1,2-(2H3)benzoldiol] [German] [ACD/IUPAC Name]
4,4'-(2,3-Dimethyl-1,4-butanediyl)di[1,2-(2H3)benzenediol] [ACD/IUPAC Name]
4,4'-(2,3-Diméthyl-1,4-butanediyl)di[1,2-(2H3)benzènediol] [French] [ACD/IUPAC Name]
1346600-58-5 [RN]
3,4,6-trideuterio-5-[2,3-dimethyl-4-(2,3,6-trideuterio-4,5-dihydroxyphenyl)butyl]benzene-1,2-diol
nordihydroguaiareticacid-d6

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 526.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 83.1±3.0 kJ/mol
    Flash Point: 247.8±23.3 °C
    Index of Refraction: 1.627
    Molar Refractivity: 86.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 4
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.71
    ACD/LogD (pH 5.5): 3.66
    ACD/BCF (pH 5.5): 356.43
    ACD/KOC (pH 5.5): 2335.03
    ACD/LogD (pH 7.4): 3.66
    ACD/BCF (pH 7.4): 352.35
    ACD/KOC (pH 7.4): 2308.28
    Polar Surface Area: 81 Å2
    Polarizability: 34.2±0.5 10-24cm3
    Surface Tension: 57.4±3.0 dyne/cm
    Molar Volume: 243.5±3.0 cm3

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