Chemical Properties of Benzene, hexabromo-

InChI

InChI=1S/C6Br6/c7-1-2(8)4(10)6(12)5(11)3(1)9

InChI Key

CAYGQBVSOZLICD-UHFFFAOYSA-N

Formula

C6Br6

SMILES

Brc1c(Br)c(Br)c(Br)c(Br)c1Br

Molecular Weight¹

551.49

Other Names

• Benzene hexabromide
• hexabromobenzene
• perbromobenzene

• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_sub : Sublimation pressure (kPa).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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, Log10 of Water solubility in mol/l 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	[236.15; 257.12]	J/mol×K	[785.42; 1096.37]
Cp,gas	236.15	J/mol×K	785.42	Joback Calculated Property
Cp,gas	239.33	J/mol×K	837.25	Joback Calculated Property
Cp,gas	242.44	J/mol×K	889.07	Joback Calculated Property
Cp,gas	245.64	J/mol×K	940.90	Joback Calculated Property
Cp,gas	249.06	J/mol×K	992.72	Joback Calculated Property
Cp,gas	252.84	J/mol×K	1044.55	Joback Calculated Property
Cp,gas	257.12	J/mol×K	1096.37	Joback Calculated Property
η	[0.0001770; 0.0004334]	Pa×s	[605.20; 785.42]
η	0.0004334	Pa×s	605.20	Joback Calculated Property
η	0.0003604	Pa×s	635.24	Joback Calculated Property
η	0.0003047	Pa×s	665.27	Joback Calculated Property
η	0.0002614	Pa×s	695.31	Joback Calculated Property
η	0.0002271	Pa×s	725.35	Joback Calculated Property
η	0.0001995	Pa×s	755.38	Joback Calculated Property
η	0.0001770	Pa×s	785.42	Joback Calculated Property
ΔfusH	24.60	kJ/mol	598.80	NIST
Psub	[2.33e-06; 2.55e-04]	kPa	[363.28; 412.93]
Psub	2.33e-06	kPa	363.28	Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures
Psub	7.39e-06	kPa	373.39	Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures
Psub	1.78e-05	kPa	383.22	Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures
Psub	4.48e-05	kPa	392.95	Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures
Psub	1.16e-04	kPa	402.92	Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures
Psub	2.55e-04	kPa	412.93	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 Benzene, hexabromo-.

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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