ChemSpider 2D Image | 2,7-Bis{[(2-methyl-2-propanyl)amino]methyl}-1,8-bis[4-(pentyloxy)phenyl]-1,8-octanedione | C40H64N2O4

2,7-Bis{[(2-methyl-2-propanyl)amino]methyl}-1,8-bis[4-(pentyloxy)phenyl]-1,8-octanedione

  • Molecular FormulaC40H64N2O4
  • Average mass636.947 Da
  • Monoisotopic mass636.486633 Da
  • ChemSpider ID21674905

More details:

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

1,8-Octanedione, 2,7-bis[[(1,1-dimethylethyl)amino]methyl]-1,8-bis[4-(pentyloxy)phenyl]- [ACD/Index Name]
2,7-Bis{[(2-methyl-2-propanyl)amino]methyl}-1,8-bis[4-(pentyloxy)phenyl]-1,8-octandion [German] [ACD/IUPAC Name]
2,7-Bis{[(2-methyl-2-propanyl)amino]methyl}-1,8-bis[4-(pentyloxy)phenyl]-1,8-octanedione [ACD/IUPAC Name]
2,7-Bis{[(2-méthyl-2-propanyl)amino]méthyl}-1,8-bis[4-(pentyloxy)phényl]-1,8-octanedione [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 714.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 385.7±32.9 °C
Index of Refraction: 1.512
Molar Refractivity: 192.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 10.36
ACD/LogD (pH 5.5): 6.05
ACD/BCF (pH 5.5): 2407.92
ACD/KOC (pH 5.5): 626.94
ACD/LogD (pH 7.4): 6.44
ACD/BCF (pH 7.4): 5968.96
ACD/KOC (pH 7.4): 1554.12
Polar Surface Area: 77 Å2
Polarizability: 76.4±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 643.0±3.0 cm3

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