ChemSpider 2D Image | 4,4'-(2,5-Thienediyldi-2,1-ethynediyl)dibenzonitrile | C22H10N2S

4,4'-(2,5-Thienediyldi-2,1-ethynediyl)dibenzonitrile

  • Molecular FormulaC22H10N2S
  • Average mass334.393 Da
  • Monoisotopic mass334.056458 Da
  • ChemSpider ID21118448

More details:

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

4,4'-(2,5-Thienediyldi-2,1-ethynediyl)dibenzonitrile [ACD/IUPAC Name]
4,4'-(2,5-Thiènediyldi-2,1-éthynediyl)dibenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4,4'-(2,5-thienediyldi-2,1-ethynediyl)bis- [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: 586.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 308.4±30.1 °C
Index of Refraction: 1.710
Molar Refractivity: 98.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 6755.42
ACD/KOC (pH 5.5): 19180.35
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 6755.42
ACD/KOC (pH 7.4): 19180.35
Polar Surface Area: 76 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 77.9±5.0 dyne/cm
Molar Volume: 250.6±5.0 cm3

Click to predict properties on the Chemicalize site


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