ChemSpider 2D Image | PBDE 126 | C12H5Br5O

PBDE 126

  • Molecular FormulaC12H5Br5O
  • Average mass564.688 Da
  • Monoisotopic mass559.625671 Da
  • ChemSpider ID21170703

More details:

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

1,2,3-Tribrom-5-(3,4-dibromphenoxy)benzol [German] [ACD/IUPAC Name]
1,2,3-Tribromo-5-(3,4-dibromophenoxy)benzene [ACD/IUPAC Name]
1,2,3-Tribromo-5-(3,4-dibromophénoxy)benzène [French] [ACD/IUPAC Name]
208-759-1 [EINECS]
3,3',4,4',5-PentaBDE
3,3',4,4',5-PENTABROMODIPHENYL ETHER
3,4-dibromophenyl 3,4,5-tribromophenyl ether
366791-32-4 [RN]
BDE No 126
Benzene, 1,2,3-tribromo-5-(3,4-dibromophenoxy)- [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

TE8L2L37ZW [DBID]
33682_RIEDEL [DBID]
UNII:TE8L2L37ZW [DBID]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 471.6±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: 196.7±27.2 °C
Index of Refraction: 1.681
Molar Refractivity: 91.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 8.28
ACD/LogD (pH 5.5): 7.21
ACD/BCF (pH 5.5): 176930.52
ACD/KOC (pH 5.5): 198588.28
ACD/LogD (pH 7.4): 7.21
ACD/BCF (pH 7.4): 176930.52
ACD/KOC (pH 7.4): 198588.28
Polar Surface Area: 9 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 240.9±3.0 cm3

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