Chemical Properties of 3,3',4,4'-Tetrabromodiphenyl ether

InChI

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

InChI Key

RYGLOWMCGZHYRQ-UHFFFAOYSA-N

Formula

C12H6Br4O

SMILES

Brc1ccc(Oc2ccc(Br)c(Br)c2)cc1Br

Molecular Weight¹

485.80

Other Names

• PBDE Congener No. 77

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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, Ionization energy 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[227.09; 443.99]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.96300e+01
Coefficient B			8.37600e-01
Coefficient C			-5.97840e-04
Coefficient D			1.64600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	227.09	J/mol×K	273.00	Calculated Property
Cp,gas	268.42	J/mol×K	353.78	Calculated Property
Cp,gas	304.23	J/mol×K	434.56	Calculated Property
Cp,gas	335.03	J/mol×K	515.33	Calculated Property
Cp,gas	361.36	J/mol×K	596.11	Calculated Property
Cp,gas	383.72	J/mol×K	676.89	Calculated Property
Cp,gas	402.65	J/mol×K	757.67	Calculated Property
Cp,gas	418.65	J/mol×K	838.44	Calculated Property
Cp,gas	432.26	J/mol×K	919.22	Calculated Property
Cp,gas	443.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003545; 0.0001176]	Pa×s	[589.35; 789.61]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.22942e+01
Coefficient B			2.56337e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			589.35
Temperature range, max.			789.61
η	0.0003545	Pa×s	589.35	Calculated Property
η	0.0003026	Pa×s	611.60	Calculated Property
η	0.0002612	Pa×s	633.85	Calculated Property
η	0.0002278	Pa×s	656.10	Calculated Property
η	0.0002004	Pa×s	678.35	Calculated Property
η	0.0001777	Pa×s	700.60	Calculated Property
η	0.0001588	Pa×s	722.85	Calculated Property
η	0.0001428	Pa×s	745.10	Calculated Property
η	0.0001293	Pa×s	767.35	Calculated Property
η	0.0001176	Pa×s	789.61	Calculated Property

Similar Compounds

Find more compounds similar to 3,3',4,4'-Tetrabromodiphenyl 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
• Joback Method
• McGowan Method
• NIST Webbook

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