ChemSpider 2D Image | PBDE 181 | C12H3Br7O

PBDE 181

  • Molecular FormulaC12H3Br7O
  • Average mass722.480 Da
  • Monoisotopic mass715.446716 Da
  • ChemSpider ID17340032

More details:

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

1,2,3,4,5-Pentabrom-6-(2,4-dibromphenoxy)benzol [German] [ACD/IUPAC Name]
1,2,3,4,5-Pentabromo-6-(2,4-dibromophenoxy)benzene [ACD/IUPAC Name]
1,2,3,4,5-Pentabromo-6-(2,4-dibromophénoxy)benzène [French] [ACD/IUPAC Name]
189084-67-1 [RN]
2,2',3,4,4',5,6-Hepta
2,2',3,4,4',5,6-HEPTABROMODIPHENYL ETHER
208-759-1 [EINECS]
Benzene, 1,2,3,4,5-pentabromo-6-(2,4-dibromophenoxy)- [ACD/Index Name]
MFCD09037730
PBDE 181
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3D6D6DTP55 [DBID]
33685_RIEDEL [DBID]
UNII:3D6D6DTP55 [DBID]

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

Density: 2.6±0.1 g/cm3
Boiling Point: 489.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 204.5±27.2 °C
Index of Refraction: 1.708
Molar Refractivity: 106.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 9.31
ACD/LogD (pH 5.5): 8.36
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 838487.75
ACD/LogD (pH 7.4): 8.36
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 838487.75
Polar Surface Area: 9 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 273.3±3.0 cm3

Click to predict properties on the Chemicalize site


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