ChemSpider 2D Image | [1-(4-Fluorophenyl)-2-(1-hexyl-4(1H)-pyridinylidene)ethylidene]malononitrile | C22H22FN3

[1-(4-Fluorophenyl)-2-(1-hexyl-4(1H)-pyridinylidene)ethylidene]malononitrile

  • Molecular FormulaC22H22FN3
  • Average mass347.429 Da
  • Monoisotopic mass347.179779 Da
  • ChemSpider ID30657370

More details:

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

[1-(4-Fluorophenyl)-2-(1-hexyl-4(1H)-pyridinylidene)ethylidene]malononitrile [ACD/IUPAC Name]
[1-(4-Fluorophényl)-2-(1-hexyl-4(1H)-pyridinylidène)éthylidène]malononitrile [French] [ACD/IUPAC Name]
[1-(4-Fluorphenyl)-2-(1-hexyl-4(1H)-pyridinyliden)ethyliden]malononitril [German] [ACD/IUPAC Name]
Propanedinitrile, 2-[1-(4-fluorophenyl)-2-(1-hexyl-4(1H)-pyridinylidene)ethylidene]- [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: 422.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 209.4±28.7 °C
Index of Refraction: 1.600
Molar Refractivity: 103.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 4.60
ACD/BCF (pH 5.5): 1807.19
ACD/KOC (pH 5.5): 7343.85
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1911.80
ACD/KOC (pH 7.4): 7768.94
Polar Surface Area: 51 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 300.9±3.0 cm3

Click to predict properties on the Chemicalize site


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