Chemical Properties of Dibromophenyl ether (CAS 5436-43-1)

InChI

InChI=1S/C12H6Br4O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H

InChI Key

XYBSIYMGXVUVGY-UHFFFAOYSA-N

Formula

C12H6Br4O

SMILES

Brc1ccc(Oc2ccc(Br)cc2Br)c(Br)c1

Molecular Weight¹

485.79

CAS

5436-43-1

Other Names

• 2,2',4,4'-Tetrabromodiphenyl ether
• BDE-47

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_sub : Sublimation pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[417.90; 459.97]	J/mol×K	[834.30; 1127.74]
Cp,gas	417.90	J/mol×K	834.30	Joback Calculated Property
Cp,gas	426.46	J/mol×K	883.21	Joback Calculated Property
Cp,gas	434.25	J/mol×K	932.11	Joback Calculated Property
Cp,gas	441.38	J/mol×K	981.02	Joback Calculated Property
Cp,gas	447.96	J/mol×K	1029.92	Joback Calculated Property
Cp,gas	454.12	J/mol×K	1078.83	Joback Calculated Property
Cp,gas	459.97	J/mol×K	1127.74	Joback Calculated Property
η	[0.0000989; 0.0003545]	Pa×s	[589.35; 834.30]
η	0.0003545	Pa×s	589.35	Joback Calculated Property
η	0.0002675	Pa×s	630.18	Joback Calculated Property
η	0.0002088	Pa×s	671.00	Joback Calculated Property
η	0.0001677	Pa×s	711.83	Joback Calculated Property
η	0.0001380	Pa×s	752.65	Joback Calculated Property
η	0.0001158	Pa×s	793.48	Joback Calculated Property
η	0.0000989	Pa×s	834.30	Joback Calculated Property
Psub	[2.54e-07; 2.42e-05]	kPa	[313.54; 353.37]
Psub	2.54e-07	kPa	313.54	Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures
Psub	9.18e-07	kPa	323.60	Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures
Psub	3.16e-06	kPa	333.47	Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures
Psub	8.63e-06	kPa	343.36	Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures
Psub	2.42e-05	kPa	353.37	Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures

Similar Compounds

Find more compounds similar to Dibromophenyl ether.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures
• Joback Method
• McGowan Method
• NIST Webbook

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