ChemSpider 2D Image | Dimethyl (5-methyl-2,4-dinitrophenyl)malonate | C12H12N2O8

Dimethyl (5-methyl-2,4-dinitrophenyl)malonate

  • Molecular FormulaC12H12N2O8
  • Average mass312.232 Da
  • Monoisotopic mass312.059357 Da
  • ChemSpider ID21472796

More details:

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

(5-Méthyl-2,4-dinitrophényl)malonate de diméthyle [French] [ACD/IUPAC Name]
1,3-Dimethyl 2-(5-methyl-2,4-dinitrophenyl)propanedioate
941294-15-1 [RN]
Dimethyl (5-methyl-2,4-dinitrophenyl)malonate [ACD/IUPAC Name]
Dimethyl 2-(5-methyl-2,4-dinitrophenyl)malonate
Dimethyl-(5-methyl-2,4-dinitrophenyl)malonat [German] [ACD/IUPAC Name]
Propanedioic acid, 2-(5-methyl-2,4-dinitrophenyl)-, dimethyl ester [ACD/Index Name]
[941294-15-1] [RN]
CA-4354
Dimethyl (5-methyl-2,4-dinitrophenyl)propanedioate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 447.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.6±3.0 kJ/mol
    Flash Point: 194.3±30.7 °C
    Index of Refraction: 1.562
    Molar Refractivity: 71.2±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 1.50
    ACD/LogD (pH 5.5): 1.94
    ACD/BCF (pH 5.5): 17.67
    ACD/KOC (pH 5.5): 271.76
    ACD/LogD (pH 7.4): 1.90
    ACD/BCF (pH 7.4): 16.13
    ACD/KOC (pH 7.4): 248.06
    Polar Surface Area: 144 Å2
    Polarizability: 28.2±0.5 10-24cm3
    Surface Tension: 55.9±3.0 dyne/cm
    Molar Volume: 219.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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