ChemSpider 2D Image | 3-Hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl acetate | C12H8O5

3-Hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl acetate

  • Molecular FormulaC12H8O5
  • Average mass232.189 Da
  • Monoisotopic mass232.037170 Da
  • ChemSpider ID21531684

More details:

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

1,4-Naphthalenedione, 2-(acetyloxy)-3-hydroxy- [ACD/Index Name]
3-Hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl acetate [ACD/IUPAC Name]
3-Hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalinyl-acetat [German] [ACD/IUPAC Name]
Acétate de 3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphtalényle [French] [ACD/IUPAC Name]
127080-98-2 [RN]
3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate
c12h8o5

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 369.0±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.0±3.0 kJ/mol
    Flash Point: 144.6±21.4 °C
    Index of Refraction: 1.623
    Molar Refractivity: 55.6±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.03
    ACD/LogD (pH 5.5): -0.91
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.29
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 81 Å2
    Polarizability: 22.0±0.5 10-24cm3
    Surface Tension: 64.2±5.0 dyne/cm
    Molar Volume: 157.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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