ChemSpider 2D Image | 3,3'-[1,3-Propanediylbis(oxy)]bis(7-methyl-5,6,7,8,9,14-hexahydrodibenzo[d,g]azecine) | C39H46N2O2

3,3'-[1,3-Propanediylbis(oxy)]bis(7-methyl-5,6,7,8,9,14-hexahydrodibenzo[d,g]azecine)

  • Molecular FormulaC39H46N2O2
  • Average mass574.795 Da
  • Monoisotopic mass574.355957 Da
  • ChemSpider ID24677900

More details:

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

3,3'-[1,3-Propandiylbis(oxy)]bis(7-methyl-5,6,7,8,9,14-hexahydrodibenzo[d,g]azecin) [German] [ACD/IUPAC Name]
3,3'-[1,3-Propanediylbis(oxy)]bis(7-methyl-5,6,7,8,9,14-hexahydrodibenzo[d,g]azecine) [ACD/IUPAC Name]
3,3'-[1,3-Propanediylbis(oxy)]bis(7-méthyl-5,6,7,8,9,14-hexahydrodibenzo[d,g]azécine) [French] [ACD/IUPAC Name]
Dibenz[d,g]azecine, 3,3'-[1,3-propanediylbis(oxy)]bis[5,6,7,8,9,14-hexahydro-7-methyl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 712.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 176.1±30.1 °C
Index of Refraction: 1.580
Molar Refractivity: 177.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 9.31
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 93.89
ACD/KOC (pH 5.5): 61.53
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 677.61
ACD/KOC (pH 7.4): 444.07
Polar Surface Area: 25 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 532.1±3.0 cm3

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