ChemSpider 2D Image | 1,1,9-Trimethyl-2,6-dioxo-1,6-dihydro-2H-benzo[cd]pyrene-3,5,7,10-tetrayl tetraacetate | C30H24O10

1,1,9-Trimethyl-2,6-dioxo-1,6-dihydro-2H-benzo[cd]pyrene-3,5,7,10-tetrayl tetraacetate

  • Molecular FormulaC30H24O10
  • Average mass544.506 Da
  • Monoisotopic mass544.136963 Da
  • ChemSpider ID549708

More details:

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

1,1,9-Trimethyl-2,6-dioxo-1,6-dihydro-2H-benzo[cd]pyren-3,5,7,10-tetrayl-tetraacetat [German] [ACD/IUPAC Name]
1,1,9-Trimethyl-2,6-dioxo-1,6-dihydro-2H-benzo[cd]pyrene-3,5,7,10-tetrayl tetraacetate [ACD/IUPAC Name]
2H-Benzo[cd]pyrene-2,6(1H)-dione, 3,5,7,10-tetrakis(acetyloxy)-1,1,9-trimethyl- [ACD/Index Name]
Tetraacétate de 1,1,9-triméthyl-2,6-dioxo-1,6-dihydro-2H-benzo[cd]pyrène-3,5,7,10-tétrayle [French] [ACD/IUPAC Name]
1,2-Dihydro-1,1,9-trimethyl-3,5,7,10-tetraacetoxy-6H-benzo[c,d]pyrene-2,6-dione
3,5,10-Tris(acetyloxy)-1,1,9-trimethyl-2,6-dioxo-1,6-dihydro-2H-benzo[cd]pyren-7-yl acetate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 754.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 317.7±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 139.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 1192.92
ACD/KOC (pH 5.5): 5544.17
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1192.92
ACD/KOC (pH 7.4): 5544.17
Polar Surface Area: 139 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 392.0±3.0 cm3

Click to predict properties on the Chemicalize site


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