ChemSpider 2D Image | 2'-cyano-3-(2,4-dimethylphenyl)propiophenone | C18H17NO

2'-cyano-3-(2,4-dimethylphenyl)propiophenone

  • Molecular FormulaC18H17NO
  • Average mass263.334 Da
  • Monoisotopic mass263.131012 Da
  • ChemSpider ID21401008

More details:

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

2-[3-(2,4-Dimethylphenyl)-1-oxopropyl]benzonitrile
2-[3-(2,4-Dimethylphenyl)propanoyl]benzonitril [German] [ACD/IUPAC Name]
2-[3-(2,4-Dimethylphenyl)propanoyl]benzonitrile [ACD/IUPAC Name]
2-[3-(2,4-Diméthylphényl)propanoyl]benzonitrile [French] [ACD/IUPAC Name]
2'-cyano-3-(2,4-dimethylphenyl)propiophenone
898793-65-2 [RN]
Benzonitrile, 2-[3-(2,4-dimethylphenyl)-1-oxopropyl]- [ACD/Index Name]
2-cyano-3-(2,4-dimethylphenyl)propiophenone
MFCD03843666 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 451.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 226.9±28.7 °C
Index of Refraction: 1.581
Molar Refractivity: 79.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1270.34
ACD/KOC (pH 5.5): 5799.44
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1270.34
ACD/KOC (pH 7.4): 5799.44
Polar Surface Area: 41 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 238.0±5.0 cm3

Click to predict properties on the Chemicalize site


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