ChemSpider 2D Image | (3Z)-3-(~2~H_8_)Butylidene-2-benzofuran-1(3H)-one | C12H4D8O2

(3Z)-3-(2H8)Butylidene-2-benzofuran-1(3H)-one

  • Molecular FormulaC12H4D8O2
  • Average mass196.272 Da
  • Monoisotopic mass196.133942 Da
  • ChemSpider ID48058915

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(3Z)-3-(2H8)Butyliden-2-benzofuran-1(3H)-on [German] [ACD/IUPAC Name]
(3Z)-3-(2H8)Butylidene-2-benzofuran-1(3H)-one [ACD/IUPAC Name]
(3Z)-3-(2H8)Butylidène-2-benzofuran-1(3H)-one [French] [ACD/IUPAC Name]
1(3H)-Isobenzofuranone, 3-(butylidene-d8)-, (3Z)- [ACD/Index Name]
(3Z)-3-(1,2,2,3,3,4,4,4-octadeuteriobutylidene)-2-benzofuran-1-one
1795142-65-2 [RN]
3-butylidene phthalide-d8

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 312.0±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.3±3.0 kJ/mol
    Flash Point: 127.9±23.4 °C
    Index of Refraction: 1.631
    Molar Refractivity: 55.7±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.72
    ACD/LogD (pH 5.5): 2.96
    ACD/BCF (pH 5.5): 105.47
    ACD/KOC (pH 5.5): 976.70
    ACD/LogD (pH 7.4): 2.96
    ACD/BCF (pH 7.4): 105.47
    ACD/KOC (pH 7.4): 976.70
    Polar Surface Area: 26 Å2
    Polarizability: 22.1±0.5 10-24cm3
    Surface Tension: 53.2±3.0 dyne/cm
    Molar Volume: 156.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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