ChemSpider 2D Image | 3-{Bis[(1-hydroxyvinyl)oxy]methyl}-1,6,8-tris[(1-hydroxyvinyl)oxy]-9,10-anthraquinone | C25H20O12

3-{Bis[(1-hydroxyvinyl)oxy]methyl}-1,6,8-tris[(1-hydroxyvinyl)oxy]-9,10-anthraquinone

  • Molecular FormulaC25H20O12
  • Average mass512.419 Da
  • Monoisotopic mass512.095459 Da
  • ChemSpider ID95748067

More details:

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

3-{Bis[(1-hydroxyvinyl)oxy]methyl}-1,6,8-tris[(1-hydroxyvinyl)oxy]-9,10-anthrachinon [German] [ACD/IUPAC Name]
3-{Bis[(1-hydroxyvinyl)oxy]methyl}-1,6,8-tris[(1-hydroxyvinyl)oxy]-9,10-anthraquinone [ACD/IUPAC Name]
3-{Bis[(1-hydroxyvinyl)oxy]méthyl}-1,6,8-tris[(1-hydroxyvinyl)oxy]-9,10-anthraquinone [French] [ACD/IUPAC Name]
9,10-Anthracenedione, 3-[bis[(1-hydroxyethenyl)oxy]methyl]-1,6,8-tris[(1-hydroxyethenyl)oxy]- [ACD/Index 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: 849.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.3±3.0 kJ/mol
Flash Point: 290.1±27.8 °C
Index of Refraction: 1.661
Molar Refractivity: 125.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 4
ACD/LogP: 5.81
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 59.60
ACD/KOC (pH 5.5): 648.77
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 51.03
ACD/KOC (pH 7.4): 555.52
Polar Surface Area: 181 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 70.4±3.0 dyne/cm
Molar Volume: 338.4±3.0 cm3

Click to predict properties on the Chemicalize site


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