ChemSpider 2D Image | 2,3,3',4,4',5,6-Heptabromodiphenyl ether | C12H3Br7O

2,3,3',4,4',5,6-Heptabromodiphenyl ether

  • Molecular FormulaC12H3Br7O
  • Average mass722.480 Da
  • Monoisotopic mass715.446716 Da
  • ChemSpider ID10239075

More details:

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

1,2,3,4,5-Pentabrom-6-(3,4-dibromphenoxy)benzol [German] [ACD/IUPAC Name]
1,2,3,4,5-Pentabromo-6-(3,4-dibromophenoxy)benzene [ACD/IUPAC Name]
1,2,3,4,5-Pentabromo-6-(3,4-dibromophénoxy)benzène [French] [ACD/IUPAC Name]
189084-68-2 [RN]
2,3,3',4,4',5,6-Heptabromodiphenyl ether
Benzene, 1,2,3,4,5-pentabromo-6-(3,4-dibromophenoxy)- [ACD/Index Name]
2,3,3,4,4,5,6-Heptabromodiphenyl ether
2,3,3,4,4,5,6-HEPTABROMODIPHENYLETHER
Benzene, pentabromo(3,4-dibromophenoxy)-
PBDE Congener No. 190

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

5HLW0A5E2Y [DBID]
UNII:5HLW0A5E2Y [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: 506.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 212.1±28.6 °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: 9.40
ACD/LogD (pH 5.5): 8.38
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 857306.25
ACD/LogD (pH 7.4): 8.38
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 857306.25
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


Advertisement