Chemical Properties of Dibenzodioxin, 2-bromo-, 1,4,6,8,9-pentachloro-

InChI

InChI=1S/C12H2BrCl5O2/c13-3-1-5(15)9-11(7(3)17)20-12-8(18)4(14)2-6(16)10(12)19-9/h1-2H

InChI Key

NOZCCTWSFQPSBV-UHFFFAOYSA-N

Formula

C12H2BrCl5O2

SMILES

Clc1cc(Cl)c2c(c1Cl)Oc1c(Cl)c(Br)cc(Cl)c1O2

Molecular Weight¹

435.31

• 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°	53.20	kJ/mol	Joback Calculated Property
log10WS	-10.70		Relay (1.0) Calculated Property
logPoct/wat	7.614		Crippen Calculated Property
McVol	212.000	ml/mol	McGowan Calculated Property
Inp	[2779.00; 2779.00]
Inp	2779.00		NIST
Inp	2779.00		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	[260.86; 437.81]	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			9.47900e+01
Coefficient B			7.63200e-01
Coefficient C			-6.22680e-04
Coefficient D			2.02500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	260.86	J/mol×K	273.00	Calculated Property
Cp,gas	295.83	J/mol×K	353.78	Calculated Property
Cp,gas	325.47	J/mol×K	434.56	Calculated Property
Cp,gas	350.44	J/mol×K	515.33	Calculated Property
Cp,gas	371.37	J/mol×K	596.11	Calculated Property
Cp,gas	388.90	J/mol×K	676.89	Calculated Property
Cp,gas	403.66	J/mol×K	757.67	Calculated Property
Cp,gas	416.31	J/mol×K	838.44	Calculated Property
Cp,gas	427.48	J/mol×K	919.22	Calculated Property
Cp,gas	437.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008204; 0.0004525]	Pa×s	[666.24; 811.78]	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			-1.04239e+01
Coefficient B			2.21072e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			666.24
Temperature range, max.			811.78
η	0.0008204	Pa×s	666.24	Calculated Property
η	0.0007584	Pa×s	682.41	Calculated Property
η	0.0007036	Pa×s	698.58	Calculated Property
η	0.0006550	Pa×s	714.75	Calculated Property
η	0.0006116	Pa×s	730.92	Calculated Property
η	0.0005729	Pa×s	747.09	Calculated Property
η	0.0005381	Pa×s	763.26	Calculated Property
η	0.0005067	Pa×s	779.43	Calculated Property
η	0.0004783	Pa×s	795.60	Calculated Property
η	0.0004525	Pa×s	811.78	Calculated Property

Similar Compounds

Find more compounds similar to Dibenzodioxin, 2-bromo-, 1,4,6,8,9-pentachloro-.

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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