ChemSpider 2D Image | Diethyl (~2~H_3_)methyl(propyl)malonate | C11H17D3O4

Diethyl (2H3)methyl(propyl)malonate

  • Molecular FormulaC11H17D3O4
  • Average mass219.293 Da
  • Monoisotopic mass219.154984 Da
  • ChemSpider ID48060406

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H3)Méthyl(propyl)malonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl (2H3)methyl(propyl)malonate [ACD/IUPAC Name]
Diethyl-(2H3)methyl(propyl)malonat [German] [ACD/IUPAC Name]
Propanedioic acid, 2-(methyl-d3)-2-propyl-, diethyl ester [ACD/Index Name]
1246815-67-7 [RN]
diethyl 2-methyl-d3-2-propylmalonate
diethyl 2-propyl-2-(trideuteriomethyl)propanedioate

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 233.2±8.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 47.0±3.0 kJ/mol
    Flash Point: 100.3±16.9 °C
    Index of Refraction: 1.434
    Molar Refractivity: 56.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 2.46
    ACD/LogD (pH 5.5): 2.48
    ACD/BCF (pH 5.5): 45.49
    ACD/KOC (pH 5.5): 534.95
    ACD/LogD (pH 7.4): 2.48
    ACD/BCF (pH 7.4): 45.49
    ACD/KOC (pH 7.4): 534.95
    Polar Surface Area: 53 Å2
    Polarizability: 22.4±0.5 10-24cm3
    Surface Tension: 31.5±3.0 dyne/cm
    Molar Volume: 217.1±3.0 cm3

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