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

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

  • Molecular FormulaC18H17NO
  • Average mass263.334 Da
  • Monoisotopic mass263.131012 Da
  • ChemSpider ID21401009

More details:

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

3-[3-(2,4-Dimethylphenyl)propanoyl]benzonitril [German] [ACD/IUPAC Name]
3-[3-(2,4-Dimethylphenyl)propanoyl]benzonitrile [ACD/IUPAC Name]
3-[3-(2,4-Diméthylphényl)propanoyl]benzonitrile [French] [ACD/IUPAC Name]
3'-cyano-3-(2,4-dimethylphenyl)propiophenone
898793-67-4 [RN]
Benzonitrile, 3-[3-(2,4-dimethylphenyl)-1-oxopropyl]- [ACD/Index Name]
3-cyano-3-(2,4-dimethylphenyl)propiophenone
MFCD03843667 [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: 446.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 223.5±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: 4.25
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1421.91
ACD/KOC (pH 5.5): 6286.71
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1421.91
ACD/KOC (pH 7.4): 6286.71
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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