Chemical Properties of Dibenzodioxin, 2,8-dibromo-, 3,7-dichloro-

InChI

InChI=1S/C12H3Br2Cl3O2/c13-4-1-7-8(2-5(4)15)18-9-3-6(16)10(14)11(17)12(9)19-7/h1-3H

InChI Key

GNJKWCIAEOGLTR-UHFFFAOYSA-N

Formula

C12H3Br2Cl3O2

SMILES

Clc1cc2c(cc1Br)Oc1c(cc(Cl)c(Br)c1Cl)O2

Molecular Weight¹

445.32

• 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

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	[245.48; 433.38]	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			6.29000e+01
Coefficient B			8.47300e-01
Coefficient C			-7.20320e-04
Coefficient D			2.43500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	245.48	J/mol×K	273.00	Calculated Property
Cp,gas	283.28	J/mol×K	353.78	Calculated Property
Cp,gas	315.06	J/mol×K	434.56	Calculated Property
Cp,gas	341.57	J/mol×K	515.33	Calculated Property
Cp,gas	363.60	J/mol×K	596.11	Calculated Property
Cp,gas	381.91	J/mol×K	676.89	Calculated Property
Cp,gas	397.27	J/mol×K	757.67	Calculated Property
Cp,gas	410.46	J/mol×K	838.44	Calculated Property
Cp,gas	422.24	J/mol×K	919.22	Calculated Property
Cp,gas	433.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008645; 0.0004566]	Pa×s	[653.68; 806.34]	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			-1.04252e+01
Coefficient B			2.20412e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			653.68
Temperature range, max.			806.34
η	0.0008645	Pa×s	653.68	Calculated Property
η	0.0007938	Pa×s	670.64	Calculated Property
η	0.0007320	Pa×s	687.60	Calculated Property
η	0.0006777	Pa×s	704.57	Calculated Property
η	0.0006296	Pa×s	721.53	Calculated Property
η	0.0005869	Pa×s	738.49	Calculated Property
η	0.0005489	Pa×s	755.45	Calculated Property
η	0.0005148	Pa×s	772.42	Calculated Property
η	0.0004842	Pa×s	789.38	Calculated Property
η	0.0004566	Pa×s	806.34	Calculated Property

Similar Compounds

Find more compounds similar to Dibenzodioxin, 2,8-dibromo-, 3,7-dichloro-.

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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