Chemical Properties of Dibenzodioxin, 3,7,9-tribromo-, 1,2,6-trichloro-

InChI

InChI=1S/C12H2Br3Cl3O2/c13-3-1-5(15)10-12(8(3)17)19-6-2-4(14)7(16)9(18)11(6)20-10/h1-2H

InChI Key

PSWRUKBLFZULLY-UHFFFAOYSA-N

Formula

C12H2Br3Cl3O2

SMILES

Clc1c(Br)cc2c(c1Cl)Oc1c(Br)cc(Br)c(Cl)c1O2

Molecular Weight¹

524.22

Other Names

• 3,7,9-tribromo-1,2,6-trichloro-dibenzo-p-dioxin

• 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°	55.37	kJ/mol	Joback Calculated Property
log10WS	-11.44		Relay (1.0) Calculated Property
logPoct/wat	7.832		Crippen Calculated Property
McVol	222.520	ml/mol	McGowan Calculated Property
Inp	[3067.00; 3067.00]
Inp	3067.00		NIST
Inp	3067.00		NIST
Inp	3067.00		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	[262.02; 439.41]	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			8.53900e+01
Coefficient B			8.26000e-01
Coefficient C			-7.24680e-04
Coefficient D			2.52700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	262.02	J/mol×K	273.00	Calculated Property
Cp,gas	298.10	J/mol×K	353.78	Calculated Property
Cp,gas	328.22	J/mol×K	434.56	Calculated Property
Cp,gas	353.19	J/mol×K	515.33	Calculated Property
Cp,gas	373.79	J/mol×K	596.11	Calculated Property
Cp,gas	390.84	J/mol×K	676.89	Calculated Property
Cp,gas	405.12	J/mol×K	757.67	Calculated Property
Cp,gas	417.45	J/mol×K	838.44	Calculated Property
Cp,gas	428.61	J/mol×K	919.22	Calculated Property
Cp,gas	439.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006566; 0.0003870]	Pa×s	[726.00; 861.70]	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			-1.06861e+01
Coefficient B			2.43764e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			726.00
Temperature range, max.			861.70
η	0.0006566	Pa×s	726.00	Calculated Property
η	0.0006132	Pa×s	741.08	Calculated Property
η	0.0005743	Pa×s	756.15	Calculated Property
η	0.0005392	Pa×s	771.23	Calculated Property
η	0.0005075	Pa×s	786.31	Calculated Property
η	0.0004788	Pa×s	801.39	Calculated Property
η	0.0004526	Pa×s	816.46	Calculated Property
η	0.0004288	Pa×s	831.54	Calculated Property
η	0.0004069	Pa×s	846.62	Calculated Property
η	0.0003870	Pa×s	861.70	Calculated Property

Similar Compounds

Find more compounds similar to Dibenzodioxin, 3,7,9-tribromo-, 1,2,6-trichloro-.

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

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