ChemSpider 2D Image | 2-(3-Chlorophenyl)ethyl ethyl oxalate | C12H13ClO4

2-(3-Chlorophenyl)ethyl ethyl oxalate

  • Molecular FormulaC12H13ClO4
  • Average mass256.682 Da
  • Monoisotopic mass256.050232 Da
  • ChemSpider ID35330117

More details:

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

1443309-23-6 [RN]
2-(3-Chlorophenyl)ethyl ethyl oxalate [ACD/IUPAC Name]
2-(3-Chlorphenyl)ethyl-ethyloxalat [German] [ACD/IUPAC Name]
Ethanedioic acid, 2-(3-chlorophenyl)ethyl ethyl ester [ACD/Index Name]
Oxalate de 2-(3-chlorophényl)éthyle et d'éthyle [French] [ACD/IUPAC Name]
3-Chlorophenethyl ethyl oxalate
atoms 17 bonds 17
MFCD15145492
O1-[2-(3-Chlorophenyl)ethyl] O2-ethyl oxalate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 340.2±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.4±3.0 kJ/mol
    Flash Point: 134.5±22.2 °C
    Index of Refraction: 1.518
    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: 2.98
    ACD/LogD (pH 5.5): 3.03
    ACD/BCF (pH 5.5): 119.15
    ACD/KOC (pH 5.5): 1065.78
    ACD/LogD (pH 7.4): 3.03
    ACD/BCF (pH 7.4): 119.15
    ACD/KOC (pH 7.4): 1065.78
    Polar Surface Area: 53 Å2
    Polarizability: 24.9±0.5 10-24cm3
    Surface Tension: 42.3±3.0 dyne/cm
    Molar Volume: 207.2±3.0 cm3

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