ChemSpider 2D Image | Methyl 3-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-3-[4-(octyloxy)phenyl]propanoate | C28H32O6

Methyl 3-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-3-[4-(octyloxy)phenyl]propanoate

  • Molecular FormulaC28H32O6
  • Average mass464.550 Da
  • Monoisotopic mass464.219879 Da
  • ChemSpider ID32511589

More details:

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

2-Naphthalenepropanoic acid, 1,4-dihydro-3-hydroxy-β-[4-(octyloxy)phenyl]-1,4-dioxo-, methyl ester [ACD/Index Name]
3-(3-Hydroxy-1,4-dioxo-1,4-dihydro-2-naphtalényl)-3-[4-(octyloxy)phényl]propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-3-[4-(octyloxy)phenyl]propanoate [ACD/IUPAC Name]
Methyl-3-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalinyl)-3-[4-(octyloxy)phenyl]propanoat [German] [ACD/IUPAC Name]
1630866-97-5 [RN]
methyl 3-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-(4-(octyloxy)phenyl)propanoate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 617.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 96.3±3.0 kJ/mol
    Flash Point: 201.2±25.0 °C
    Index of Refraction: 1.578
    Molar Refractivity: 128.4±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 1
    ACD/LogP: 7.82
    ACD/LogD (pH 5.5): 5.86
    ACD/BCF (pH 5.5): 8831.05
    ACD/KOC (pH 5.5): 10980.96
    ACD/LogD (pH 7.4): 4.11
    ACD/BCF (pH 7.4): 158.09
    ACD/KOC (pH 7.4): 196.57
    Polar Surface Area: 90 Å2
    Polarizability: 50.9±0.5 10-24cm3
    Surface Tension: 51.5±3.0 dyne/cm
    Molar Volume: 387.1±3.0 cm3

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