ChemSpider 2D Image | 5-Acetyl-2,4-bis(trifluoromethyl)benzonitrile | C11H5F6NO

5-Acetyl-2,4-bis(trifluoromethyl)benzonitrile

  • Molecular FormulaC11H5F6NO
  • Average mass281.154 Da
  • Monoisotopic mass281.027527 Da
  • ChemSpider ID57410104

More details:

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

5-Acetyl-2,4-bis(trifluormethyl)benzonitril [German] [ACD/IUPAC Name]
5-Acetyl-2,4-bis(trifluoromethyl)benzonitrile [ACD/IUPAC Name]
5-Acétyl-2,4-bis(trifluorométhyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 5-acetyl-2,4-bis(trifluoromethyl)- [ACD/Index Name]
1806979-18-9 [RN]
2',4'-Bis(trifluoromethyl)-5'-cyanoacetophenone

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

Density: 1.5±0.1 g/cm3
Boiling Point: 292.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.2±3.0 kJ/mol
Flash Point: 130.8±27.3 °C
Index of Refraction: 1.437
Molar Refractivity: 50.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 419.44
ACD/KOC (pH 5.5): 2623.70
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 419.44
ACD/KOC (pH 7.4): 2623.70
Polar Surface Area: 41 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 32.1±5.0 dyne/cm
Molar Volume: 193.4±5.0 cm3

Click to predict properties on the Chemicalize site


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