Chemical Properties of 1,2,3,4,6,7-hexabromo-dibenzo-dioxin

InChI

InChI=1S/C12H2Br6O2/c13-3-1-2-4-10(5(3)14)20-12-9(18)7(16)6(15)8(17)11(12)19-4/h1-2H

InChI Key

RZDHYIJHBJEYLW-UHFFFAOYSA-N

Formula

C12H2Br6O2

SMILES

Brc1ccc2c(c1Br)Oc1c(Br)c(Br)c(Br)c(Br)c1O2

Molecular Weight¹

657.57

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	58.64	kJ/mol	Joback Calculated Property
logPoct/wat	8.160		Crippen Calculated Property
McVol	238.300	ml/mol	McGowan Calculated Property
Inp	[3579.00; 3579.00]
Inp	3579.00		NIST
Inp	3579.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, 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	[445.63; 516.60]	J/mol×K	[1025.16; 1336.99]
Cp,gas	445.63	J/mol×K	1025.16	Joback Calculated Property
Cp,gas	454.07	J/mol×K	1077.13	Joback Calculated Property
Cp,gas	463.50	J/mol×K	1129.10	Joback Calculated Property
Cp,gas	474.20	J/mol×K	1181.08	Joback Calculated Property
Cp,gas	486.42	J/mol×K	1233.05	Joback Calculated Property
Cp,gas	500.46	J/mol×K	1285.02	Joback Calculated Property
Cp,gas	516.60	J/mol×K	1336.99	Joback Calculated Property
η	[0.0002201; 0.0004414]	Pa×s	[815.64; 1025.16]
η	0.0004414	Pa×s	815.64	Joback Calculated Property
η	0.0003838	Pa×s	850.56	Joback Calculated Property
η	0.0003374	Pa×s	885.48	Joback Calculated Property
η	0.0002996	Pa×s	920.40	Joback Calculated Property
η	0.0002683	Pa×s	955.32	Joback Calculated Property
η	0.0002421	Pa×s	990.24	Joback Calculated Property
η	0.0002201	Pa×s	1025.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2,3,4,6,7-hexabromo-dibenzo-dioxin.

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

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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