ChemSpider 2D Image | Bis(2-phenylethyl) 4,4'-[(3,3'-dimethyl-4,4'-biphenyldiyl)diimino]bis(4-oxobutanoate) | C38H40N2O6

Bis(2-phenylethyl) 4,4'-[(3,3'-dimethyl-4,4'-biphenyldiyl)diimino]bis(4-oxobutanoate)

  • Molecular FormulaC38H40N2O6
  • Average mass620.734 Da
  • Monoisotopic mass620.288635 Da
  • ChemSpider ID4129272

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(2-phényléthyle) [French] [ACD/IUPAC Name]
Bis(2-phenylethyl) 4,4'-[(3,3'-dimethyl-4,4'-biphenyldiyl)diimino]bis(4-oxobutanoate) [ACD/IUPAC Name]
Bis(2-phenylethyl)-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(2-phenylethyl) ester [ACD/Index Name]
bis(2-phenylethyl) 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: 814.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.4±3.0 kJ/mol
Flash Point: 446.3±34.3 °C
Index of Refraction: 1.612
Molar Refractivity: 178.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 8.01
ACD/LogD (pH 5.5): 7.09
ACD/BCF (pH 5.5): 142664.98
ACD/KOC (pH 5.5): 170227.98
ACD/LogD (pH 7.4): 7.09
ACD/BCF (pH 7.4): 142672.66
ACD/KOC (pH 7.4): 170237.14
Polar Surface Area: 111 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 513.9±3.0 cm3

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