Chemical Properties of 4-Bromophenyl ether

InChI

InChI=1S/C12H8Br2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H

InChI Key

YAWIAFUBXXPJMQ-UHFFFAOYSA-N

Formula

C12H8Br2O

SMILES

Brc1ccc(Oc2ccc(Br)cc2)cc1

Molecular Weight¹

328.00

Other Names

• di(4-Bromophenyl)ether
• 4,4'-Dibromodiphenyl ether
• Bis(p-bromophenyl)ether
• Bis-(4-bromophenyl) ether
• Benzene, 1,1'-oxybis[4-bromo-
• p,p'-Dibromodiphenyl ether
• Bis(bromophenyl) ether
• Ether, bis(p-bromophenyl)
• Ether, bis(4-bromophenyl)
• USAF DO-61
• Diphenyl ether, 4,4'-dibromo
• NSC 1787
• NSC 9487
• 4,4'-BDE

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5433		Relay (1.0) Calculated Property
ΔfH°gas	66.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.90	kJ/mol	Joback Calculated Property
ΔvapH°	84.15	kJ/mol	Relay (1.0) Calculated Property
IE	7.92	eV	Relay (1.0) Calculated Property
log10WS	-6.54		Relay (1.0) Calculated Property
logPoct/wat	5.004		Crippen Calculated Property
McVol	173.290	ml/mol	McGowan Calculated Property
Pc	3824.55	kPa	Joback Calculated Property
Inp	[1936.00; 1936.00]
Inp	1936.00		NIST
Inp	1936.00		NIST
Tboil	612.20	K	NIST
Tc	863.51	K	Relay (1.0) Calculated Property
Tfus	[327.15; 327.15]	K
Tfus	327.15 ± 1.50	K	NIST
Tfus	327.15 ± 1.50	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[370.15; 426.94]	J/mol×K	[692.22; 965.76]
Cp,gas	370.15	J/mol×K	692.22	Joback Calculated Property
Cp,gas	382.09	J/mol×K	737.81	Joback Calculated Property
Cp,gas	392.94	J/mol×K	783.40	Joback Calculated Property
Cp,gas	402.76	J/mol×K	828.99	Joback Calculated Property
Cp,gas	411.65	J/mol×K	874.58	Joback Calculated Property
Cp,gas	419.68	J/mol×K	920.17	Joback Calculated Property
Cp,gas	426.94	J/mol×K	965.76	Joback Calculated Property
η	[0.0001491; 0.0008047]	Pa×s	[444.71; 692.22]
η	0.0008047	Pa×s	444.71	Joback Calculated Property
η	0.0005393	Pa×s	485.96	Joback Calculated Property
η	0.0003848	Pa×s	527.21	Joback Calculated Property
η	0.0002884	Pa×s	568.47	Joback Calculated Property
η	0.0002247	Pa×s	609.72	Joback Calculated Property
η	0.0001807	Pa×s	650.97	Joback Calculated Property
η	0.0001491	Pa×s	692.22	Joback Calculated Property
ΔvapH	78.00	kJ/mol	418.00	NIST

Similar Compounds

Find more compounds similar to 4-Bromophenyl ether.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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