ChemSpider 2D Image | 4,4'-(1-Oxo-1,2-ethanediyl)dibenzonitrile | C16H10N2O

4,4'-(1-Oxo-1,2-ethanediyl)dibenzonitrile

  • Molecular FormulaC16H10N2O
  • Average mass246.263 Da
  • Monoisotopic mass246.079315 Da
  • ChemSpider ID14461426

More details:

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

4,4'-(1-Oxo-1,2-ethandiyl)dibenzonitril [German] [ACD/IUPAC Name]
4,4'-(1-Oxo-1,2-ethanediyl)dibenzonitrile [ACD/IUPAC Name]
4,4'-(1-Oxo-1,2-éthanediyl)dibenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4,4'-(1-oxo-1,2-ethanediyl)bis- [ACD/Index Name]
111883-54-6 [RN]
4,4'-(1-Oxoethane-1,2-diyl)dibenzonitrile

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

Density: 1.2±0.1 g/cm3
Boiling Point: 483.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 246.0±25.9 °C
Index of Refraction: 1.618
Molar Refractivity: 70.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.91
ACD/KOC (pH 5.5): 720.22
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.91
ACD/KOC (pH 7.4): 720.22
Polar Surface Area: 65 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 199.6±5.0 cm3

Click to predict properties on the Chemicalize site


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