Chemical Properties of 2,3,7,8-tetrabromo-1,9-dichloro-dibenzo-p-dioxin

InChI

InChI=1S/C12H2Br4Cl2O2/c13-3-1-5-11(9(17)7(3)15)20-12-6(19-5)2-4(14)8(16)10(12)18/h1-2H

InChI Key

QHXTVCCFAGTTBW-UHFFFAOYSA-N

Formula

C12H2Br4Cl2O2

SMILES

Clc1c(Br)c(Br)cc2c1Oc1c(cc(Br)c(Br)c1Cl)O2

Molecular Weight¹

568.66

Other Names

• Dibenzodioxin, 2,3,7,8-tetrabromo-, 1,9-dichloro-

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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°	56.46	kJ/mol	Joback Calculated Property
log10WS	-11.88		Relay (1.0) Calculated Property
logPoct/wat	7.941		Crippen Calculated Property
McVol	227.780	ml/mol	McGowan Calculated Property
Inp	[3282.00; 3282.00]
Inp	3282.00		NIST
Inp	3282.00		NIST
Inp	3282.00		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 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	[435.78; 486.73]	J/mol×K	[967.90; 1266.51]
Cp,gas	435.78	J/mol×K	967.90	Joback Calculated Property
Cp,gas	442.69	J/mol×K	1017.67	Joback Calculated Property
Cp,gas	449.96	J/mol×K	1067.44	Joback Calculated Property
Cp,gas	457.79	J/mol×K	1117.20	Joback Calculated Property
Cp,gas	466.39	J/mol×K	1166.97	Joback Calculated Property
Cp,gas	475.97	J/mol×K	1216.74	Joback Calculated Property
Cp,gas	486.73	J/mol×K	1266.51	Joback Calculated Property
η	[0.0002766; 0.0005793]	Pa×s	[755.88; 967.90]
η	0.0005793	Pa×s	755.88	Joback Calculated Property
η	0.0004982	Pa×s	791.22	Joback Calculated Property
η	0.0004341	Pa×s	826.55	Joback Calculated Property
η	0.0003825	Pa×s	861.89	Joback Calculated Property
η	0.0003404	Pa×s	897.23	Joback Calculated Property
η	0.0003056	Pa×s	932.56	Joback Calculated Property
η	0.0002766	Pa×s	967.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,3,7,8-tetrabromo-1,9-dichloro-dibenzo-p-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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