ChemSpider 2D Image | 2,7-Bis[(dipropylamino)methyl]-1,8-bis(4-propoxyphenyl)-1,8-octanedione | C40H64N2O4

2,7-Bis[(dipropylamino)methyl]-1,8-bis(4-propoxyphenyl)-1,8-octanedione

  • Molecular FormulaC40H64N2O4
  • Average mass636.947 Da
  • Monoisotopic mass636.486633 Da
  • ChemSpider ID2366650

More details:






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

1,8-Octanedione, 2,7-bis[(dipropylamino)methyl]-1,8-bis(4-propoxyphenyl)- [ACD/Index Name]
2,7-Bis[(dipropylamino)methyl]-1,8-bis(4-propoxyphenyl)-1,8-octandion [German] [ACD/IUPAC Name]
2,7-Bis[(dipropylamino)methyl]-1,8-bis(4-propoxyphenyl)-1,8-octanedione [ACD/IUPAC Name]
2,7-Bis[(dipropylamino)méthyl]-1,8-bis(4-propoxyphényl)-1,8-octanedione [French] [ACD/IUPAC Name]
2,7-bis((dipropylamino)methyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione
2,7-bis[(dipropylamino)methyl]-1,8-bis(4-propoxyphenyl)octane-1,8-dione
2,7-Bis-dipropylaminomethyl-1,8-bis-(4-propoxy-phenyl)-octane-1,8-dione

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

BAS 00605047 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.0±0.1 g/cm3
    Boiling Point: 709.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 103.8±3.0 kJ/mol
    Flash Point: 383.1±32.9 °C
    Index of Refraction: 1.516
    Molar Refractivity: 193.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 27
    #Rule of 5 Violations: 2
    ACD/LogP: 11.01
    ACD/LogD (pH 5.5): 5.32
    ACD/BCF (pH 5.5): 673.78
    ACD/KOC (pH 5.5): 252.36
    ACD/LogD (pH 7.4): 6.39
    ACD/BCF (pH 7.4): 7888.05
    ACD/KOC (pH 7.4): 2954.47
    Polar Surface Area: 59 Å2
    Polarizability: 76.6±0.5 10-24cm3
    Surface Tension: 37.9±3.0 dyne/cm
    Molar Volume: 639.8±3.0 cm3

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