ChemSpider 2D Image | Ethyl 3-(2,4-dinitrophenyl)propanoate | C11H12N2O6

Ethyl 3-(2,4-dinitrophenyl)propanoate

  • Molecular FormulaC11H12N2O6
  • Average mass268.223 Da
  • Monoisotopic mass268.069550 Da
  • ChemSpider ID23080223

More details:

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

3-(2,4-Dinitrophényl)propanoate d'éthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 2,4-dinitro-, ethyl ester [ACD/Index Name]
Ethyl 3-(2,4-dinitrophenyl)propanoate [ACD/IUPAC Name]
Ethyl-3-(2,4-dinitrophenyl)propanoat [German] [ACD/IUPAC Name]
897544-77-3 [RN]
MFCD07626355 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 387.4±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.7±3.0 kJ/mol
    Flash Point: 168.3±25.7 °C
    Index of Refraction: 1.563
    Molar Refractivity: 64.6±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.19
    ACD/LogD (pH 5.5): 2.40
    ACD/BCF (pH 5.5): 39.59
    ACD/KOC (pH 5.5): 484.37
    ACD/LogD (pH 7.4): 2.40
    ACD/BCF (pH 7.4): 39.59
    ACD/KOC (pH 7.4): 484.37
    Polar Surface Area: 118 Å2
    Polarizability: 25.6±0.5 10-24cm3
    Surface Tension: 53.9±3.0 dyne/cm
    Molar Volume: 198.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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