ChemSpider 2D Image | 2-(3,5-Difluorophenyl)ethyl ethyl oxalate | C12H12F2O4

2-(3,5-Difluorophenyl)ethyl ethyl oxalate

  • Molecular FormulaC12H12F2O4
  • Average mass258.218 Da
  • Monoisotopic mass258.070374 Da
  • ChemSpider ID35330942

More details:

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

1443313-17-4 [RN]
2-(3,5-Difluorophenyl)ethyl ethyl oxalate [ACD/IUPAC Name]
2-(3,5-Difluorphenyl)ethyl-ethyloxalat [German] [ACD/IUPAC Name]
Ethanedioic acid, 2-(3,5-difluorophenyl)ethyl ethyl ester [ACD/Index Name]
Oxalate de 2-(3,5-difluorophényl)éthyle et d'éthyle [French] [ACD/IUPAC Name]
3,5-Difluorophenethyl ethyl oxalate
atoms 18 bonds 18
MFCD15145498
O1-[2-(3,5-Difluorophenyl)ethyl] O2-ethyl oxalate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 302.8±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.3±3.0 kJ/mol
    Flash Point: 132.6±20.0 °C
    Index of Refraction: 1.480
    Molar Refractivity: 57.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.53
    ACD/LogD (pH 5.5): 2.48
    ACD/BCF (pH 5.5): 45.06
    ACD/KOC (pH 5.5): 531.40
    ACD/LogD (pH 7.4): 2.48
    ACD/BCF (pH 7.4): 45.06
    ACD/KOC (pH 7.4): 531.40
    Polar Surface Area: 53 Å2
    Polarizability: 22.9±0.5 10-24cm3
    Surface Tension: 38.3±3.0 dyne/cm
    Molar Volume: 203.7±3.0 cm3

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