ChemSpider 2D Image | Ethyl oxo(2-oxocycloheptyl)acetate | C11H16O4

Ethyl oxo(2-oxocycloheptyl)acetate

  • Molecular FormulaC11H16O4
  • Average mass212.242 Da
  • Monoisotopic mass212.104858 Da
  • ChemSpider ID14270362

More details:

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

Cycloheptaneacetic acid, α,2-dioxo-, ethyl ester [ACD/Index Name]
Ethyl oxo(2-oxocycloheptyl)acetate [ACD/IUPAC Name]
Ethyl-oxo(2-oxocycloheptyl)acetat [German] [ACD/IUPAC Name]
Oxo(2-oxocycloheptyl)acétate d'éthyle [French] [ACD/IUPAC Name]
[29800-43-9] [RN]
29800-43-9 [RN]
ethyl ??,2-dioxocycloheptaneacetate
Ethyl 2-oxo-2-(2-oxocycloheptyl)acetate
MFCD16091088
Oxo-(2-oxo-cycloheptyl)-acetic acid ethyl ester

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 334.5±31.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.7±3.0 kJ/mol
    Flash Point: 147.2±24.9 °C
    Index of Refraction: 1.471
    Molar Refractivity: 52.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.73
    ACD/LogD (pH 5.5): 0.94
    ACD/BCF (pH 5.5): 3.05
    ACD/KOC (pH 5.5): 77.27
    ACD/LogD (pH 7.4): 0.88
    ACD/BCF (pH 7.4): 2.66
    ACD/KOC (pH 7.4): 67.51
    Polar Surface Area: 60 Å2
    Polarizability: 20.9±0.5 10-24cm3
    Surface Tension: 40.3±3.0 dyne/cm
    Molar Volume: 188.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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