ChemSpider 2D Image | 6,7,9,10,12,13,15,16-Octahydrotribenzo[n,p,r][1,4,7,10,13]pentaoxacyclononadecine | C26H28O5

6,7,9,10,12,13,15,16-Octahydrotribenzo[n,p,r][1,4,7,10,13]pentaoxacyclononadecine

  • Molecular FormulaC26H28O5
  • Average mass420.497 Da
  • Monoisotopic mass420.193665 Da
  • ChemSpider ID30653147

More details:

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

6,7,9,10,12,13,15,16-Octahydrotribenzo[n,p,r][1,4,7,10,13]pentaoxacyclononadecin [German] [ACD/IUPAC Name]
6,7,9,10,12,13,15,16-Octahydrotribenzo[n,p,r][1,4,7,10,13]pentaoxacyclononadecine [ACD/IUPAC Name]
6,7,9,10,12,13,15,16-Octahydrotribenzo[n,p,r][1,4,7,10,13]pentaoxacyclononadécine [French] [ACD/IUPAC Name]
Tribenzo[n,p,r][1,4,7,10,13]pentaoxacyclononadecin, 6,7,9,10,12,13,15,16-octahydro- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 615.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 248.9±30.0 °C
Index of Refraction: 1.534
Molar Refractivity: 118.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2067.50
ACD/KOC (pH 5.5): 8218.49
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2067.50
ACD/KOC (pH 7.4): 8218.49
Polar Surface Area: 46 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 381.7±3.0 cm3

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