Chemical Properties of 2-bromo,1,3,4,6,7,8,9-heptachloro-dibenzo-dioxin

InChI

InChI=1S/C12BrCl7O2/c13-1-2(14)6(18)10-9(3(1)15)21-11-7(19)4(16)5(17)8(20)12(11)22-10

InChI Key

QWQSAEFEFCNQDW-UHFFFAOYSA-N

Formula

C12BrCl7O2

SMILES

Clc1c(Cl)c(Cl)c2c(c1Cl)Oc1c(Cl)c(Cl)c(Br)c(Cl)c1O2

Molecular Weight¹

504.20

• 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°	60.81	kJ/mol	Joback Calculated Property
log10WS	-12.60		Relay (1.0) Calculated Property
logPoct/wat	8.921		Crippen Calculated Property
McVol	236.480	ml/mol	McGowan Calculated Property
Inp	[3243.00; 3243.00]
Inp	3243.00		NIST
Inp	3243.00		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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[292.77; 448.27]	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			1.49170e+02
Coefficient B			6.57800e-01
Coefficient C			-5.29400e-04
Coefficient D			1.70700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	292.77	J/mol×K	273.00	Calculated Property
Cp,gas	323.18	J/mol×K	353.78	Calculated Property
Cp,gas	349.06	J/mol×K	434.56	Calculated Property
Cp,gas	370.93	J/mol×K	515.33	Calculated Property
Cp,gas	389.33	J/mol×K	596.11	Calculated Property
Cp,gas	404.81	J/mol×K	676.89	Calculated Property
Cp,gas	417.90	J/mol×K	757.67	Calculated Property
Cp,gas	429.15	J/mol×K	838.44	Calculated Property
Cp,gas	439.09	J/mol×K	919.22	Calculated Property
Cp,gas	448.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006027; 0.0003822]	Pa×s	[751.12; 873.01]	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			-1.06770e+01
Coefficient B			2.45084e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			751.12
Temperature range, max.			873.01
η	0.0006027	Pa×s	751.12	Calculated Property
η	0.0005688	Pa×s	764.66	Calculated Property
η	0.0005380	Pa×s	778.21	Calculated Property
η	0.0005098	Pa×s	791.75	Calculated Property
η	0.0004839	Pa×s	805.29	Calculated Property
η	0.0004602	Pa×s	818.84	Calculated Property
η	0.0004383	Pa×s	832.38	Calculated Property
η	0.0004181	Pa×s	845.92	Calculated Property
η	0.0003994	Pa×s	859.47	Calculated Property
η	0.0003822	Pa×s	873.01	Calculated Property

Similar Compounds

Find more compounds similar to 2-bromo,1,3,4,6,7,8,9-heptachloro-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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