ChemSpider 2D Image | 2,2',4,4',5,5'-HEXABROMODIPHENYL ETHER | C12H4Br6O

2,2',4,4',5,5'-HEXABROMODIPHENYL ETHER

  • Molecular FormulaC12H4Br6O
  • Average mass643.584 Da
  • Monoisotopic mass637.536194 Da
  • ChemSpider ID136695

More details:

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

2,2',4,4',5,5'-HEXABROMODIPHENYL ETHER
1,1'-Oxybis(2,4,5-tribrombenzol) [German] [ACD/IUPAC Name]
1,1'-Oxybis(2,4,5-tribromobenzene) [ACD/IUPAC Name]
1,1'-Oxybis(2,4,5-tribromobenzène) [French] [ACD/IUPAC Name]
2,2',4,4',5,5'-HexaBDE
208-759-1 [EINECS]
68631-49-2 [RN]
BDE 153
Benzene, 1,1'-oxybis[2,4,5-tribromo- [ACD/Index Name]
MFCD06407722
More...

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

33683_RIEDEL [DBID]
NCGC00090916-01 [DBID]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 471.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 196.5±27.2 °C
Index of Refraction: 1.695
Molar Refractivity: 98.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 8.98
ACD/LogD (pH 5.5): 7.76
ACD/BCF (pH 5.5): 468825.75
ACD/KOC (pH 5.5): 398916.56
ACD/LogD (pH 7.4): 7.76
ACD/BCF (pH 7.4): 468825.75
ACD/KOC (pH 7.4): 398916.56
Polar Surface Area: 9 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 257.1±3.0 cm3

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