ChemSpider 2D Image | Pentacyclo[6.6.2.0~2,7~.0~4,16~.0~11,15~]hexadeca-1(14),2,4,6,8,10,12,15-octaene-5,6-diol | C16H8O2

Pentacyclo[6.6.2.02,7.04,16.011,15]hexadeca-1(14),2,4,6,8,10,12,15-octaene-5,6-diol

  • Molecular FormulaC16H8O2
  • Average mass232.234 Da
  • Monoisotopic mass232.052429 Da
  • ChemSpider ID67492429

More details:

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

4,1,5-Ethenylylidenephenanthrene-2,3-diol [ACD/Index Name]
Pentacyclo[6.6.2.02,7.04,16.011,15]hexadeca-1(14),2,4,6,8,10,12,15-octaen-5,6-diol [German] [ACD/IUPAC Name]
Pentacyclo[6.6.2.02,7.04,16.011,15]hexadeca-1(14),2,4,6,8,10,12,15-octaene-5,6-diol [ACD/IUPAC Name]
Pentacyclo[6.6.2.02,7.04,16.011,15]hexadéca-1(14),2,4,6,8,10,12,15-octaène-5,6-diol [French] [ACD/IUPAC Name]
benzo[??]pyrene diol

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

Density: 1.7±0.1 g/cm3
Boiling Point: 456.3±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 229.7±15.8 °C
Index of Refraction: 2.614
Molar Refractivity: 88.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 262.07
ACD/KOC (pH 5.5): 1873.51
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 254.62
ACD/KOC (pH 7.4): 1820.26
Polar Surface Area: 40 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 124.4±3.0 dyne/cm
Molar Volume: 133.3±3.0 cm3

Click to predict properties on the Chemicalize site


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