ChemSpider 2D Image | 3-(2-Benzoyl-3,3,3-trifluoro-1-propen-1-yl)benzonitrile | C17H10F3NO

3-(2-Benzoyl-3,3,3-trifluoro-1-propen-1-yl)benzonitrile

  • Molecular FormulaC17H10F3NO
  • Average mass301.263 Da
  • Monoisotopic mass301.071442 Da
  • ChemSpider ID35450522

More details:

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

3-(2-Benzoyl-3,3,3-trifluor-1-propen-1-yl)benzonitril [German] [ACD/IUPAC Name]
3-(2-Benzoyl-3,3,3-trifluoro-1-propen-1-yl)benzonitrile [ACD/IUPAC Name]
3-(2-Benzoyl-3,3,3-trifluoro-1-propén-1-yl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-(2-benzoyl-3,3,3-trifluoro-1-propen-1-yl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 421.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 208.8±28.7 °C
Index of Refraction: 1.559
Molar Refractivity: 74.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1523.63
ACD/KOC (pH 5.5): 6605.45
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1523.63
ACD/KOC (pH 7.4): 6605.45
Polar Surface Area: 41 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 231.3±5.0 cm3

Click to predict properties on the Chemicalize site


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