ChemSpider 2D Image | 2-Formyl-3-methylbutanenitrile | C6H9NO

2-Formyl-3-methylbutanenitrile

  • Molecular FormulaC6H9NO
  • Average mass111.142 Da
  • Monoisotopic mass111.068413 Da
  • ChemSpider ID26000685

More details:

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

2-Formyl-3-methylbutanenitrile [ACD/IUPAC Name]
2-Formyl-3-méthylbutanenitrile [French] [ACD/IUPAC Name]
2-Formyl-3-methylbutannitril [German] [ACD/IUPAC Name]
Butanenitrile, 2-formyl-3-methyl- [ACD/Index Name]
2-?formyl-?3-?methyl-Butanenitrile
2-Formyl-3-methyl-butyronitrile
345581-33-1 [RN]
771510-15-7 [RN]
MFCD14621602

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 174.1±23.0 °C at 760 mmHg
    Vapour Pressure: 1.2±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 41.0±3.0 kJ/mol
    Flash Point: 59.1±22.6 °C
    Index of Refraction: 1.416
    Molar Refractivity: 29.9±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.55
    ACD/LogD (pH 5.5):
    ACD/BCF (pH 5.5):
    ACD/KOC (pH 5.5):
    ACD/LogD (pH 7.4):
    ACD/BCF (pH 7.4):
    ACD/KOC (pH 7.4):
    Polar Surface Area: 41 Å2
    Polarizability: 11.8±0.5 10-24cm3
    Surface Tension: 31.9±3.0 dyne/cm
    Molar Volume: 119.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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