ChemSpider 2D Image | {5,5-Bis[4-(benzyloxy)phenyl]-3-cyano-4-methyl-2(5H)-furanylidene}malononitrile | C35H25N3O3

{5,5-Bis[4-(benzyloxy)phenyl]-3-cyano-4-methyl-2(5H)-furanylidene}malononitrile

  • Molecular FormulaC35H25N3O3
  • Average mass535.591 Da
  • Monoisotopic mass535.189575 Da
  • ChemSpider ID30657088

More details:

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

{5,5-Bis[4-(benzyloxy)phenyl]-3-cyan-4-methyl-2(5H)-furanyliden}malononitril [German] [ACD/IUPAC Name]
{5,5-Bis[4-(benzyloxy)phenyl]-3-cyano-4-methyl-2(5H)-furanylidene}malononitrile [ACD/IUPAC Name]
{5,5-Bis[4-(benzyloxy)phényl]-3-cyano-4-méthyl-2(5H)-furanylidène}malononitrile [French] [ACD/IUPAC Name]
Propanedinitrile, 2-[3-cyano-4-methyl-5,5-bis[4-(phenylmethoxy)phenyl]-2(5H)-furanylidene]- [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: 666.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 221.0±24.4 °C
Index of Refraction: 1.668
Molar Refractivity: 153.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.17
ACD/LogD (pH 5.5): 6.91
ACD/BCF (pH 5.5): 105033.41
ACD/KOC (pH 5.5): 136723.98
ACD/LogD (pH 7.4): 6.91
ACD/BCF (pH 7.4): 105033.41
ACD/KOC (pH 7.4): 136723.98
Polar Surface Area: 99 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 66.7±5.0 dyne/cm
Molar Volume: 412.3±5.0 cm3

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