ChemSpider 2D Image | 4,5-Bis{[8-(diethylamino)octyl]oxy}-9H-xanthen-9-one | C37H58N2O4

4,5-Bis{[8-(diethylamino)octyl]oxy}-9H-xanthen-9-one

  • Molecular FormulaC37H58N2O4
  • Average mass594.867 Da
  • Monoisotopic mass594.439636 Da
  • ChemSpider ID8479496

More details:

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

4,5-Bis{[8-(diethylamino)octyl]oxy}-9H-xanthen-9-on [German] [ACD/IUPAC Name]
4,5-Bis{[8-(diethylamino)octyl]oxy}-9H-xanthen-9-one [ACD/IUPAC Name]
4,5-Bis{[8-(diéthylamino)octyl]oxy}-9H-xanthén-9-one [French] [ACD/IUPAC Name]
9H-Xanthen-9-one, 4,5-bis[[8-(diethylamino)octyl]oxy]- [ACD/Index 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: 671.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 360.0±31.5 °C
Index of Refraction: 1.528
Molar Refractivity: 178.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 9.64
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 342.01
ACD/KOC (pH 5.5): 154.96
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 347.98
ACD/KOC (pH 7.4): 157.67
Polar Surface Area: 51 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 579.3±3.0 cm3

Click to predict properties on the Chemicalize site


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