ChemSpider 2D Image | 1,1'-(6,7,9,10,12,13,20,21,23,24,26,27-Dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine-2,16-diyl)di(1-butanone) | C32H44O10

1,1'-(6,7,9,10,12,13,20,21,23,24,26,27-Dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine-2,16-diyl)di(1-butanone)

  • Molecular FormulaC32H44O10
  • Average mass588.686 Da
  • Monoisotopic mass588.293457 Da
  • ChemSpider ID4307296

More details:

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

1,1'-(6,7,9,10,12,13,20,21,23,24,26,27-Dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosin-2,16-diyl)di(1-butanon) [German] [ACD/IUPAC Name]
1,1'-(6,7,9,10,12,13,20,21,23,24,26,27-Dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine-2,16-diyl)di(1-butanone) [ACD/IUPAC Name]
1,1'-(6,7,9,10,12,13,20,21,23,24,26,27-Dodécahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotétracosine-2,16-diyl)di(1-butanone) [French] [ACD/IUPAC Name]
1-Butanone, 1,1'-(6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenz[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosin-2,16-diyl)bis- [ACD/Index Name]
1-(16-butanoyl-5,6,7,8,9,10,11,12,13,14,19,20,21,22,23,24,25,26,27,28-icosahyd rodibenzo[a,m][24]annulen-2-yl)butan-1-one
1-(16-butanoyl-5,6,7,8,9,10,11,12,13,14,19,20,21,22,23,24,25,26,27,28-icosahydrodibenzo[a,m][24]annulen-2-yl)butan-1-one
1,1'-(6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine-2,16-diyl)bis(butan-1-one)

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 745.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 108.6±3.0 kJ/mol
    Flash Point: 213.3±27.0 °C
    Index of Refraction: 1.486
    Molar Refractivity: 156.0±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 3.42
    ACD/LogD (pH 5.5): 2.82
    ACD/BCF (pH 5.5): 81.71
    ACD/KOC (pH 5.5): 813.61
    ACD/LogD (pH 7.4): 2.82
    ACD/BCF (pH 7.4): 81.71
    ACD/KOC (pH 7.4): 813.61
    Polar Surface Area: 108 Å2
    Polarizability: 61.8±0.5 10-24cm3
    Surface Tension: 38.7±3.0 dyne/cm
    Molar Volume: 542.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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