ChemSpider 2D Image | 3,16-Dibromo-6,7,9,10,12,13,20,21-octahydrodibenzo[b,h][1,4,7,10,13,16]hexaoxacyclooctadecine | C20H22Br2O6

3,16-Dibromo-6,7,9,10,12,13,20,21-octahydrodibenzo[b,h][1,4,7,10,13,16]hexaoxacyclooctadecine

  • Molecular FormulaC20H22Br2O6
  • Average mass518.193 Da
  • Monoisotopic mass515.978271 Da
  • ChemSpider ID2348459

More details:

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

3,16-Dibrom-6,7,9,10,12,13,20,21-octahydrodibenzo[b,h][1,4,7,10,13,16]hexaoxacyclooctadecin [German] [ACD/IUPAC Name]
3,16-Dibromo-6,7,9,10,12,13,20,21-octahydrodibenzo[b,h][1,4,7,10,13,16]hexaoxacyclooctadecine [ACD/IUPAC Name]
3,16-Dibromo-6,7,9,10,12,13,20,21-octahydrodibenzo[b,h][1,4,7,10,13,16]hexaoxacyclooctadécine [French] [ACD/IUPAC Name]
Dibenzo[b,h][1,4,7,10,13,16]hexaoxacyclooctadecin, 3,16-dibromo-6,7,9,10,12,13,20,21-octahydro- [ACD/Index Name]

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

BAS 00135024 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 570.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 240.7±28.6 °C
Index of Refraction: 1.534
Molar Refractivity: 111.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1111.86
ACD/KOC (pH 5.5): 5271.84
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1111.86
ACD/KOC (pH 7.4): 5271.84
Polar Surface Area: 55 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 357.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement