ChemSpider 2D Image | 5-Formyl-2-methylbenzonitrile | C9H7NO

5-Formyl-2-methylbenzonitrile

  • Molecular FormulaC9H7NO
  • Average mass145.158 Da
  • Monoisotopic mass145.052765 Da
  • ChemSpider ID13247370

More details:

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

27613-36-1 [RN]
5-Formyl-2-methylbenzonitril [German] [ACD/IUPAC Name]
5-Formyl-2-methylbenzonitrile [ACD/IUPAC Name]
5-Formyl-2-méthylbenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 5-formyl-2-methyl- [ACD/Index Name]
3-cyano-4-methylbenzaldehyde
5-formyl-2-methylbenzenecarbonitrile
5-Formyl-2-Methylbenzonitrile (en)
5-FORMYL-2-METHYLBENZONITRILE|5-FORMYL-2-METHYLBENZONITRILE
5-formyl-2-methylbenzonitrile|benzonitrile, 5-formyl-2-methyl-
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 235.5±20.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 47.2±3.0 kJ/mol
    Flash Point: 96.2±21.8 °C
    Index of Refraction: 1.544
    Molar Refractivity: 40.9±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.64
    ACD/LogD (pH 5.5): 1.74
    ACD/BCF (pH 5.5): 12.45
    ACD/KOC (pH 5.5): 211.58
    ACD/LogD (pH 7.4): 1.74
    ACD/BCF (pH 7.4): 12.45
    ACD/KOC (pH 7.4): 211.58
    Polar Surface Area: 41 Å2
    Polarizability: 16.2±0.5 10-24cm3
    Surface Tension: 46.6±5.0 dyne/cm
    Molar Volume: 129.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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