ChemSpider 2D Image | 2-(2,5-Difluorobenzylidene)-4,4-dimethyl-3-oxopentanenitrile | C14H13F2NO

2-(2,5-Difluorobenzylidene)-4,4-dimethyl-3-oxopentanenitrile

  • Molecular FormulaC14H13F2NO
  • Average mass249.256 Da
  • Monoisotopic mass249.096527 Da
  • ChemSpider ID30503735

More details:

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

2-(2,5-Difluorbenzyliden)-4,4-dimethyl-3-oxopentannitril [German] [ACD/IUPAC Name]
2-(2,5-Difluorobenzylidene)-4,4-dimethyl-3-oxopentanenitrile [ACD/IUPAC Name]
2-(2,5-Difluorobenzylidène)-4,4-diméthyl-3-oxopentanenitrile [French] [ACD/IUPAC Name]
Pentanenitrile, 2-[(2,5-difluorophenyl)methylene]-4,4-dimethyl-3-oxo- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 352.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.7±3.0 kJ/mol
Flash Point: 167.0±27.9 °C
Index of Refraction: 1.527
Molar Refractivity: 65.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 396.87
ACD/KOC (pH 5.5): 2521.85
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 396.87
ACD/KOC (pH 7.4): 2521.85
Polar Surface Area: 41 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 211.7±3.0 cm3

Click to predict properties on the Chemicalize site


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