ChemSpider 2D Image | Ethyl 2-(2-ethoxy-2-oxoethyl)-4-nitrobenzoate | C13H15NO6

Ethyl 2-(2-ethoxy-2-oxoethyl)-4-nitrobenzoate

  • Molecular FormulaC13H15NO6
  • Average mass281.261 Da
  • Monoisotopic mass281.089935 Da
  • ChemSpider ID26534399

More details:

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

1253790-99-6 [RN]
2-(2-Éthoxy-2-oxoéthyl)-4-nitrobenzoate d'éthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, 2-(ethoxycarbonyl)-5-nitro-, ethyl ester [ACD/Index Name]
Ethyl 2-(2-ethoxy-2-oxoethyl)-4-nitrobenzoate [ACD/IUPAC Name]
Ethyl-2-(2-ethoxy-2-oxoethyl)-4-nitrobenzoat [German] [ACD/IUPAC Name]
CS-13744
ethyl-2-(2-ethoxy-2-oxoethyl)-4-nitrobenzoate
MFCD11849945

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 411.0±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.3±3.0 kJ/mol
    Flash Point: 173.2±29.3 °C
    Index of Refraction: 1.533
    Molar Refractivity: 69.8±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 2.61
    ACD/LogD (pH 5.5): 2.61
    ACD/BCF (pH 5.5): 56.44
    ACD/KOC (pH 5.5): 624.32
    ACD/LogD (pH 7.4): 2.61
    ACD/BCF (pH 7.4): 56.44
    ACD/KOC (pH 7.4): 624.32
    Polar Surface Area: 98 Å2
    Polarizability: 27.7±0.5 10-24cm3
    Surface Tension: 46.7±3.0 dyne/cm
    Molar Volume: 225.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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