ChemSpider 2D Image | Ethyl 4-(4-chlorophenoxy)-3-oxobutanoate | C12H13ClO4

Ethyl 4-(4-chlorophenoxy)-3-oxobutanoate

  • Molecular FormulaC12H13ClO4
  • Average mass256.682 Da
  • Monoisotopic mass256.050232 Da
  • ChemSpider ID25823028

More details:

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

4-(4-Chlorophénoxy)-3-oxobutanoate d'éthyle [French] [ACD/IUPAC Name]
97900-77-1 [RN]
Butanoic acid, 4-(4-chlorophenoxy)-3-oxo-, ethyl ester [ACD/Index Name]
Ethyl 4-(4-chlorophenoxy)-3-oxobutanoate [ACD/IUPAC Name]
Ethyl-4-(4-chlorphenoxy)-3-oxobutanoat [German] [ACD/IUPAC Name]
4-(4-chlorophenoxy)-3-oxo-butanoic acid ethyl ester
atoms 17 bonds 17
ethyl-4-(4-chlorophenoxy)-3-oxobutanoate
MFCD11849524

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 347.2±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.1±3.0 kJ/mol
    Flash Point: 138.3±21.3 °C
    Index of Refraction: 1.514
    Molar Refractivity: 62.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.91
    ACD/LogD (pH 5.5): 2.49
    ACD/BCF (pH 5.5): 46.02
    ACD/KOC (pH 5.5): 539.46
    ACD/LogD (pH 7.4): 2.49
    ACD/BCF (pH 7.4): 45.78
    ACD/KOC (pH 7.4): 536.65
    Polar Surface Area: 53 Å2
    Polarizability: 24.9±0.5 10-24cm3
    Surface Tension: 41.3±3.0 dyne/cm
    Molar Volume: 208.5±3.0 cm3

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