ChemSpider 2D Image | Bis(4-methylphenyl) 4,4'-[(3,3'-dimethyl-4,4'-biphenyldiyl)diimino]bis(4-oxobutanoate) | C36H36N2O6

Bis(4-methylphenyl) 4,4'-[(3,3'-dimethyl-4,4'-biphenyldiyl)diimino]bis(4-oxobutanoate)

  • Molecular FormulaC36H36N2O6
  • Average mass592.681 Da
  • Monoisotopic mass592.257324 Da
  • ChemSpider ID4263834

More details:

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

4,4'-[(3,3'-Diméthyl-4,4'-biphényldiyl)diimino]bis(4-oxobutanoate) de bis(4-méthylphényle) [French] [ACD/IUPAC Name]
Bis(4-methylphenyl) 4,4'-[(3,3'-dimethyl-4,4'-biphenyldiyl)diimino]bis(4-oxobutanoate) [ACD/IUPAC Name]
Bis(4-methylphenyl)-4,4'-[(3,3'-dimethyl-4,4'-biphenyldiyl)diimino]bis(4-oxobutanoat) [German] [ACD/IUPAC Name]
Butanoic acid, 4,4'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)diimino]bis[4-oxo-, bis(4-methylphenyl) ester [ACD/Index Name]
bis(4-methylphenyl) 4,4'-[(3,3'-dimethyl-4,4'-biphenyldiyl)di(imino)]bis(4-oxobutanoate)

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

Density: 1.2±0.1 g/cm3
Boiling Point: 793.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 433.4±32.9 °C
Index of Refraction: 1.620
Molar Refractivity: 169.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.45
ACD/LogD (pH 5.5): 6.71
ACD/BCF (pH 5.5): 74001.22
ACD/KOC (pH 5.5): 106408.09
ACD/LogD (pH 7.4): 6.71
ACD/BCF (pH 7.4): 74005.12
ACD/KOC (pH 7.4): 106413.70
Polar Surface Area: 111 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 483.0±3.0 cm3

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