ChemSpider 2D Image | (2,4-Dimethylphenyl)(phenyl)acetonitrile | C16H15N

(2,4-Dimethylphenyl)(phenyl)acetonitrile

  • Molecular FormulaC16H15N
  • Average mass221.297 Da
  • Monoisotopic mass221.120453 Da
  • ChemSpider ID29204283

More details:

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

(2,4-Dimethylphenyl)(phenyl)acetonitril [German] [ACD/IUPAC Name]
(2,4-Dimethylphenyl)(phenyl)acetonitrile [ACD/IUPAC Name]
(2,4-Diméthylphényl)(phényl)acétonitrile [French] [ACD/IUPAC Name]
Benzeneacetonitrile, 2,4-dimethyl-α-phenyl- [ACD/Index Name]
2-(2,4-dimethylphenyl)-2-phenylacetonitrile
82954-09-4 [RN]
MFCD24849131 [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: 349.0±11.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.3±3.0 kJ/mol
    Flash Point: 172.9±5.7 °C
    Index of Refraction: 1.572
    Molar Refractivity: 69.8±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.22
    ACD/LogD (pH 5.5): 4.30
    ACD/BCF (pH 5.5): 1096.02
    ACD/KOC (pH 5.5): 5217.98
    ACD/LogD (pH 7.4): 4.30
    ACD/BCF (pH 7.4): 1096.02
    ACD/KOC (pH 7.4): 5217.98
    Polar Surface Area: 24 Å2
    Polarizability: 27.7±0.5 10-24cm3
    Surface Tension: 42.2±3.0 dyne/cm
    Molar Volume: 212.0±3.0 cm3

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