ChemSpider 2D Image | PBDE 100 | C12H5Br5O

PBDE 100

  • Molecular FormulaC12H5Br5O
  • Average mass564.688 Da
  • Monoisotopic mass559.625671 Da
  • ChemSpider ID135795

More details:






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

1,3,5-Tribrom-2-(2,4-dibromphenoxy)benzol [German] [ACD/IUPAC Name]
1,3,5-Tribromo-2-(2,4-dibromophenoxy)benzene [ACD/IUPAC Name]
1,3,5-Tribromo-2-(2,4-dibromophénoxy)benzène [French] [ACD/IUPAC Name]
189084-64-8 [RN]
2,2',4,4',6-PentaBDE
2,2',4,4',6-Pentabromodiphenyl ether
2,2',4,4',6-Pentabromodiphenyl ether solution
208-759-1 [EINECS]
BDE No 100 solution
Benzene, 1,3,5-tribromo-2-(2,4-dibromophenoxy)- [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

YW2W2K0A6U [DBID]
33681_RIEDEL [DBID]
UNII:YW2W2K0A6U [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.3±0.1 g/cm3
Boiling Point: 415.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.3±3.0 kJ/mol
Flash Point: 171.9±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: 8.03
ACD/LogD (pH 5.5): 7.08
ACD/BCF (pH 5.5): 142278.77
ACD/KOC (pH 5.5): 169900.66
ACD/LogD (pH 7.4): 7.08
ACD/BCF (pH 7.4): 142278.77
ACD/KOC (pH 7.4): 169900.66
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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