ChemSpider 2D Image | 2,3,3',4,6-PENTABROMODIPHENYL ETHER | C12H5Br5O

2,3,3',4,6-PENTABROMODIPHENYL ETHER

  • Molecular FormulaC12H5Br5O
  • Average mass564.688 Da
  • Monoisotopic mass559.625671 Da
  • ChemSpider ID52084309

More details:

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

1,2,3,5-Tetrabrom-4-(3-bromphenoxy)benzol [German] [ACD/IUPAC Name]
1,2,3,5-Tetrabromo-4-(3-bromophenoxy)benzene [ACD/IUPAC Name]
1,2,3,5-Tétrabromo-4-(3-bromophénoxy)benzène [French] [ACD/IUPAC Name]
2,3,3',4,6-PENTABROMODIPHENYL ETHER
446254-72-4 [RN]
Benzene, 1,2,3,5-tetrabromo-4-(3-bromophenoxy)- [ACD/Index Name]

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

5B9AHP631F [DBID]
UNII:5B9AHP631F [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: 433.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.3±3.0 kJ/mol
Flash Point: 179.9±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: 8.01
ACD/LogD (pH 5.5): 7.19
ACD/BCF (pH 5.5): 171439.28
ACD/KOC (pH 5.5): 194156.84
ACD/LogD (pH 7.4): 7.19
ACD/BCF (pH 7.4): 171439.28
ACD/KOC (pH 7.4): 194156.84
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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