ChemSpider 2D Image | 3-tert-Butyl-4-hydroxyfuran-2(5H)-one | C8H12O3

3-tert-Butyl-4-hydroxyfuran-2(5H)-one

  • Molecular FormulaC8H12O3
  • Average mass156.179 Da
  • Monoisotopic mass156.078644 Da
  • ChemSpider ID24605627

More details:

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

114908-93-9 [RN]
2(5H)-Furanone, 3-(1,1-dimethylethyl)-4-hydroxy- [ACD/Index Name]
3-tert-Butyl-4-hydroxyfuran-2(5H)-one
4-Hydroxy-3-(2-methyl-2-propanyl)-2(5H)-furanon [German] [ACD/IUPAC Name]
4-Hydroxy-3-(2-methyl-2-propanyl)-2(5H)-furanone [ACD/IUPAC Name]
4-Hydroxy-3-(2-méthyl-2-propanyl)-2(5H)-furanone [French] [ACD/IUPAC Name]
[114908-93-9] [RN]
138564-58-6 [RN]
3-(1,1-dimethylethyl)-4-hydroxy-2(5H)-Furanone
3-(tert-butyl)-4-hydroxyfuran-2(5H)-one
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 282.7±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 60.5±6.0 kJ/mol
    Flash Point: 123.7±20.1 °C
    Index of Refraction: 1.527
    Molar Refractivity: 39.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.47
    ACD/LogD (pH 5.5): -0.60
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.44
    ACD/LogD (pH 7.4): -2.26
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 47 Å2
    Polarizability: 15.7±0.5 10-24cm3
    Surface Tension: 48.5±3.0 dyne/cm
    Molar Volume: 128.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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