ChemSpider 2D Image | 2,3',4,4',5-Pentabromodiphenyl ether | C12H5Br5O

2,3',4,4',5-Pentabromodiphenyl ether

  • Molecular FormulaC12H5Br5O
  • Average mass564.688 Da
  • Monoisotopic mass559.625671 Da
  • ChemSpider ID24592041

More details:






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

1,2,4-Tribrom-5-(3,4-dibromphenoxy)benzol [German] [ACD/IUPAC Name]
1,2,4-Tribromo-5-(3,4-dibromophenoxy)benzene [ACD/IUPAC Name]
1,2,4-Tribromo-5-(3,4-dibromophénoxy)benzène [French] [ACD/IUPAC Name]
2,3',4,4',5-Pentabromodiphenyl ether
3,4-Dibromophenyl 2,4,5-tribromophenyl ether
446254-80-4 [RN]
Benzene, 1,2,4-tribromo-5-(3,4-dibromophenoxy)- [ACD/Index Name]
2,3',4,4',5-PENTACHLOROBIPHENYL ETHER
PBDE 118
PBDE Congener No. 118

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

3IF7OHN68D [DBID]
UNII:3IF7OHN68D [DBID]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 452.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 188.3±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: 8.27
ACD/LogD (pH 5.5): 7.19
ACD/BCF (pH 5.5): 172753.08
ACD/KOC (pH 5.5): 195220.72
ACD/LogD (pH 7.4): 7.19
ACD/BCF (pH 7.4): 172753.08
ACD/KOC (pH 7.4): 195220.72
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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