ChemSpider 2D Image | 3,4,8-Trihydroxy-1,6,9-trimethyl-11H-dibenzo[b,e][1,4]dioxepin-11-one | C16H14O6

3,4,8-Trihydroxy-1,6,9-trimethyl-11H-dibenzo[b,e][1,4]dioxepin-11-one

  • Molecular FormulaC16H14O6
  • Average mass302.279 Da
  • Monoisotopic mass302.079041 Da
  • ChemSpider ID40256762

More details:

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

11H-Dibenzo[b,e][1,4]dioxepin-11-one, 3,4,8-trihydroxy-1,6,9-trimethyl- [ACD/Index Name]
3,4,8-Trihydroxy-1,6,9-trimethyl-11H-dibenzo[b,e][1,4]dioxepin-11-on [German] [ACD/IUPAC Name]
3,4,8-Trihydroxy-1,6,9-trimethyl-11H-dibenzo[b,e][1,4]dioxepin-11-one [ACD/IUPAC Name]
3,4,8-Trihydroxy-1,6,9-triméthyl-11H-dibenzo[b,e][1,4]dioxépin-11-one [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 592.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 225.4±23.6 °C
Index of Refraction: 1.671
Molar Refractivity: 77.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 107.67
ACD/KOC (pH 5.5): 989.36
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 70.62
ACD/KOC (pH 7.4): 648.93
Polar Surface Area: 96 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 67.0±3.0 dyne/cm
Molar Volume: 206.5±3.0 cm3

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