ChemSpider 2D Image | 3-Methyl-3-oxetanecarbonitrile | C5H7NO

3-Methyl-3-oxetanecarbonitrile

  • Molecular FormulaC5H7NO
  • Average mass97.115 Da
  • Monoisotopic mass97.052765 Da
  • ChemSpider ID28467413

More details:

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

170128-14-0 [RN]
3-Methyl-3-oxetancarbonitril [German] [ACD/IUPAC Name]
3-Methyl-3-oxetanecarbonitrile [ACD/IUPAC Name]
3-Méthyl-3-oxétanecarbonitrile [French] [ACD/IUPAC Name]
3-methyloxetane-3-carbonitrile
3-Oxetanecarbonitrile, 3-methyl- [ACD/Index Name]
1290541-27-3 [RN]
Chemistry 10469
MFCD09842437 [MDL number]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 179.6±33.0 °C at 760 mmHg
    Vapour Pressure: 0.9±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 41.6±3.0 kJ/mol
    Flash Point: 70.9±19.3 °C
    Index of Refraction: 1.447
    Molar Refractivity: 24.8±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.52
    ACD/LogD (pH 5.5): 0.36
    ACD/BCF (pH 5.5): 1.10
    ACD/KOC (pH 5.5): 37.27
    ACD/LogD (pH 7.4): 0.36
    ACD/BCF (pH 7.4): 1.10
    ACD/KOC (pH 7.4): 37.27
    Polar Surface Area: 33 Å2
    Polarizability: 9.8±0.5 10-24cm3
    Surface Tension: 35.4±5.0 dyne/cm
    Molar Volume: 92.9±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement