ChemSpider 2D Image | Dimethyl 3-(cyanomethyl)pentanedioate | C9H13NO4

Dimethyl 3-(cyanomethyl)pentanedioate

  • Molecular FormulaC9H13NO4
  • Average mass199.204 Da
  • Monoisotopic mass199.084457 Da
  • ChemSpider ID35807524

More details:

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

1709-26-8 [RN]
3-(Cyanométhyl)pentanedioate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 3-(cyanomethyl)pentanedioate [ACD/IUPAC Name]
Dimethyl-3-(cyanmethyl)pentandioat [German] [ACD/IUPAC Name]
Pentanedioic acid, 3-(cyanomethyl)-, 1,5-dimethyl ester
Pentanedioic acid, 3-(cyanomethyl)-, dimethyl ester [ACD/Index Name]
1,5-dimethyl 3-(cyanomethyl)pentanedioate
MFCD29043331

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 312.5±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.3±3.0 kJ/mol
    Flash Point: 135.6±15.3 °C
    Index of Refraction: 1.443
    Molar Refractivity: 47.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 0.30
    ACD/LogD (pH 5.5): 0.52
    ACD/BCF (pH 5.5): 1.47
    ACD/KOC (pH 5.5): 45.86
    ACD/LogD (pH 7.4): 0.52
    ACD/BCF (pH 7.4): 1.47
    ACD/KOC (pH 7.4): 45.86
    Polar Surface Area: 76 Å2
    Polarizability: 18.7±0.5 10-24cm3
    Surface Tension: 39.3±3.0 dyne/cm
    Molar Volume: 177.8±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement