ChemSpider 2D Image | 9-[3-Ethoxy-4-(hexyloxy)phenyl]-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione | C31H43NO4

9-[3-Ethoxy-4-(hexyloxy)phenyl]-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione

  • Molecular FormulaC31H43NO4
  • Average mass493.677 Da
  • Monoisotopic mass493.319214 Da
  • ChemSpider ID57306336

More details:

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

1,8(2H,5H)-Acridinedione, 9-[3-ethoxy-4-(hexyloxy)phenyl]-3,4,6,7,9,10-hexahydro-3,3,6,6-tetramethyl- [ACD/Index Name]
9-[3-Ethoxy-4-(hexyloxy)phenyl]-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridindion [German] [ACD/IUPAC Name]
9-[3-Ethoxy-4-(hexyloxy)phenyl]-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione [ACD/IUPAC Name]
9-[3-Éthoxy-4-(hexyloxy)phényl]-3,3,6,6-tétraméthyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione [French] [ACD/IUPAC Name]
9-(3-ETHOXY-4-HEXOXYPHENYL)-3,3,6,6-TETRAMETHYL-2,4,5,7,9,10-HEXAHYDROACRIDINE-1,8-DIONE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 617.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 327.1±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 142.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 6.66
ACD/BCF (pH 5.5): 67653.66
ACD/KOC (pH 5.5): 99792.16
ACD/LogD (pH 7.4): 6.66
ACD/BCF (pH 7.4): 67657.22
ACD/KOC (pH 7.4): 99797.41
Polar Surface Area: 65 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 440.6±5.0 cm3

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