ChemSpider 2D Image | 7,10,13,16-Tetramethoxy-5,6,11,12,17,18-hexadehydrotribenzo[a,e,i][12]annulene-1,4-dione | C28H18O6

7,10,13,16-Tetramethoxy-5,6,11,12,17,18-hexadehydrotribenzo[a,e,i][12]annulene-1,4-dione

  • Molecular FormulaC28H18O6
  • Average mass450.439 Da
  • Monoisotopic mass450.110352 Da
  • ChemSpider ID74020406

More details:

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

7,10,13,16-Tetramethoxy-5,6,11,12,17,18-hexadehydrotribenzo[a,e,i][12]annulen-1,4-dion [German] [ACD/IUPAC Name]
7,10,13,16-Tetramethoxy-5,6,11,12,17,18-hexadehydrotribenzo[a,e,i][12]annulene-1,4-dione [ACD/IUPAC Name]
7,10,13,16-Tétraméthoxy-5,6,11,12,17,18-hexadéhydrotribenzo[a,e,i][12]annulène-1,4-dione [French] [ACD/IUPAC Name]
Tribenzo[a,e,i]cyclododecene-1,4-dione, 5,6,11,12,17,18-hexadehydro-7,10,13,16-tetramethoxy- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 682.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 292.8±31.5 °C
Index of Refraction: 1.676
Molar Refractivity: 122.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4718.78
ACD/KOC (pH 5.5): 14836.12
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 4718.78
ACD/KOC (pH 7.4): 14836.12
Polar Surface Area: 71 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 70.6±5.0 dyne/cm
Molar Volume: 324.3±5.0 cm3

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