ChemSpider 2D Image | 3-Methyl-4-(trifluoromethyl)benzonitrile | C9H6F3N

3-Methyl-4-(trifluoromethyl)benzonitrile

  • Molecular FormulaC9H6F3N
  • Average mass185.146 Da
  • Monoisotopic mass185.045227 Da
  • ChemSpider ID23348011

More details:

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

3-Methyl-4-(trifluormethyl)benzonitril [German] [ACD/IUPAC Name]
3-Methyl-4-(trifluoromethyl)benzonitrile [ACD/IUPAC Name]
3-Méthyl-4-(trifluorométhyl)benzonitrile [French] [ACD/IUPAC Name]
871571-28-7 [RN]
Benzonitrile, 3-methyl-4-(trifluoromethyl)- [ACD/Index Name]
MFCD13185727 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 224.4±40.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 46.1±3.0 kJ/mol
    Flash Point: 89.5±27.3 °C
    Index of Refraction: 1.464
    Molar Refractivity: 40.9±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.09
    ACD/LogD (pH 5.5): 2.82
    ACD/BCF (pH 5.5): 82.24
    ACD/KOC (pH 5.5): 817.40
    ACD/LogD (pH 7.4): 2.82
    ACD/BCF (pH 7.4): 82.24
    ACD/KOC (pH 7.4): 817.40
    Polar Surface Area: 24 Å2
    Polarizability: 16.2±0.5 10-24cm3
    Surface Tension: 32.1±5.0 dyne/cm
    Molar Volume: 148.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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