ChemSpider 2D Image | Methyl 6-methyl-2,4-dioxoheptanoate | C9H14O4

Methyl 6-methyl-2,4-dioxoheptanoate

  • Molecular FormulaC9H14O4
  • Average mass186.205 Da
  • Monoisotopic mass186.089203 Da
  • ChemSpider ID28473728

More details:

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

20577-66-6 [RN]
6-Méthyl-2,4-dioxoheptanoate de méthyle [French] [ACD/IUPAC Name]
Heptanoic acid, 6-methyl-2,4-dioxo-, methyl ester [ACD/Index Name]
Methyl 6-methyl-2,4-dioxoheptanoate [ACD/IUPAC Name]
Methyl-6-methyl-2,4-dioxoheptanoat [German] [ACD/IUPAC Name]
1-Methoxycarbonyl-5-methyl-3-oxo-hex-1-en-1-olanion
6-Methyl-2,4-dioxo-heptanoic acid methyl ester
MFCD18375347 [MDL number]
VS-11664

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 246.0±13.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 48.3±3.0 kJ/mol
    Flash Point: 101.1±19.9 °C
    Index of Refraction: 1.433
    Molar Refractivity: 45.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.69
    ACD/LogD (pH 5.5): 0.68
    ACD/BCF (pH 5.5): 1.90
    ACD/KOC (pH 5.5): 53.76
    ACD/LogD (pH 7.4): -0.20
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 7.04
    Polar Surface Area: 60 Å2
    Polarizability: 18.1±0.5 10-24cm3
    Surface Tension: 33.8±3.0 dyne/cm
    Molar Volume: 175.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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