ChemSpider 2D Image | 3,5-Difluoro-4-(trifluoromethoxy)benzonitrile | C8H2F5NO

3,5-Difluoro-4-(trifluoromethoxy)benzonitrile

  • Molecular FormulaC8H2F5NO
  • Average mass223.100 Da
  • Monoisotopic mass223.005661 Da
  • ChemSpider ID58835997

More details:

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

3,5-Difluor-4-(trifluormethoxy)benzonitril [German] [ACD/IUPAC Name]
3,5-Difluoro-4-(trifluoromethoxy)benzonitrile [ACD/IUPAC Name]
3,5-Difluoro-4-(trifluorométhoxy)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3,5-difluoro-4-(trifluoromethoxy)- [ACD/Index Name]
1805056-83-0 [RN]
MFCD28791013

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

Density: 1.5±0.1 g/cm3
Boiling Point: 205.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.2±3.0 kJ/mol
Flash Point: 78.0±25.9 °C
Index of Refraction: 1.430
Molar Refractivity: 38.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 62.11
ACD/KOC (pH 5.5): 668.61
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 62.11
ACD/KOC (pH 7.4): 668.61
Polar Surface Area: 33 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 31.1±5.0 dyne/cm
Molar Volume: 148.2±5.0 cm3

Click to predict properties on the Chemicalize site


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