Chemical Properties of 2,2',5,5'-Tetrabromobiphenyl (CAS 59080-37-4)

InChI

InChI=1S/C12H6Br4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H

InChI Key

XEFMFJLRXHQLEM-UHFFFAOYSA-N

Formula

C12H6Br4

SMILES

Brc1ccc(Br)c(-c2cc(Br)ccc2Br)c1

Molecular Weight¹

469.79

CAS

59080-37-4

• 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).
• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[211.68; 425.49]	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			1.41300e+01
Coefficient B			9.00800e-01
Coefficient C			-7.08840e-04
Coefficient D			2.19400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	211.68	J/mol×K	273.00	Calculated Property
Cp,gas	253.81	J/mol×K	353.78	Calculated Property
Cp,gas	289.73	J/mol×K	434.56	Calculated Property
Cp,gas	320.12	J/mol×K	515.33	Calculated Property
Cp,gas	345.70	J/mol×K	596.11	Calculated Property
Cp,gas	367.14	J/mol×K	676.89	Calculated Property
Cp,gas	385.15	J/mol×K	757.67	Calculated Property
Cp,gas	400.41	J/mol×K	838.44	Calculated Property
Cp,gas	413.63	J/mol×K	919.22	Calculated Property
Cp,gas	425.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004823; 0.0001499]	Pa×s	[567.12; 778.50]	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			-1.19417e+01
Coefficient B			2.44128e+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.			567.12
Temperature range, max.			778.50
η	0.0004823	Pa×s	567.12	Calculated Property
η	0.0004064	Pa×s	590.61	Calculated Property
η	0.0003470	Pa×s	614.09	Calculated Property
η	0.0002997	Pa×s	637.58	Calculated Property
η	0.0002616	Pa×s	661.07	Calculated Property
η	0.0002305	Pa×s	684.55	Calculated Property
η	0.0002047	Pa×s	708.04	Calculated Property
η	0.0001833	Pa×s	731.53	Calculated Property
η	0.0001652	Pa×s	755.01	Calculated Property
η	0.0001499	Pa×s	778.50	Calculated Property

Similar Compounds

Find more compounds similar to 2,2',5,5'-Tetrabromobiphenyl.

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
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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