Chemical Properties of 2,2',4,4',6,6'-Hexabromobiphenyl (CAS 59261-08-4)

InChI

InChI=1S/C12H4Br6/c13-5-1-7(15)11(8(16)2-5)12-9(17)3-6(14)4-10(12)18/h1-4H

InChI Key

LNFYSRMCCKKDEH-UHFFFAOYSA-N

Formula

C12H4Br6

SMILES

Brc1cc(Br)c(-c2c(Br)cc(Br)cc2Br)c(Br)c1

Molecular Weight¹

627.58

CAS

59261-08-4

Other Names

• 2,2',4,4',6,6'-Hexabromo-1,1'-biphenyl

• 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).
• 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).
• 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 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[244.76; 437.55]	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			5.91100e+01
Coefficient B			8.58200e-01
Coefficient C			-7.17560e-04
Coefficient D			2.37800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	244.76	J/mol×K	273.00	Calculated Property
Cp,gas	283.44	J/mol×K	353.78	Calculated Property
Cp,gas	316.06	J/mol×K	434.56	Calculated Property
Cp,gas	343.35	J/mol×K	515.33	Calculated Property
Cp,gas	366.08	J/mol×K	596.11	Calculated Property
Cp,gas	385.00	J/mol×K	676.89	Calculated Property
Cp,gas	400.85	J/mol×K	757.67	Calculated Property
Cp,gas	414.39	J/mol×K	838.44	Calculated Property
Cp,gas	426.37	J/mol×K	919.22	Calculated Property
Cp,gas	437.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002217; 0.0000982]	Pa×s	[711.76; 888.93]	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			-1.25001e+01
Coefficient B			2.90832e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			711.76
Temperature range, max.			888.93
η	0.0002217	Pa×s	711.76	Calculated Property
η	0.0001986	Pa×s	731.45	Calculated Property
η	0.0001790	Pa×s	751.13	Calculated Property
η	0.0001621	Pa×s	770.82	Calculated Property
η	0.0001476	Pa×s	790.50	Calculated Property
η	0.0001350	Pa×s	810.19	Calculated Property
η	0.0001240	Pa×s	829.87	Calculated Property
η	0.0001143	Pa×s	849.56	Calculated Property
η	0.0001058	Pa×s	869.24	Calculated Property
η	0.0000982	Pa×s	888.93	Calculated Property

Similar Compounds

Find more compounds similar to 2,2',4,4',6,6'-Hexabromobiphenyl.

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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