Chemical Properties of 2,3,7-tribromo,8-chloro-dibenzo-dioxin

InChI

InChI=1S/C12H4Br3ClO2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H

InChI Key

VAPXVPBAPGEGAW-UHFFFAOYSA-N

Formula

C12H4Br3ClO2

SMILES

Clc1cc2c(cc1Br)Oc1cc(Br)c(Br)cc1O2

Molecular Weight¹

455.32

• 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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[230.11; 428.95]	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			3.10100e+01
Coefficient B			9.31400e-01
Coefficient C			-8.17960e-04
Coefficient D			2.84500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	230.11	J/mol×K	273.00	Calculated Property
Cp,gas	270.74	J/mol×K	353.78	Calculated Property
Cp,gas	304.64	J/mol×K	434.56	Calculated Property
Cp,gas	332.70	J/mol×K	515.33	Calculated Property
Cp,gas	355.83	J/mol×K	596.11	Calculated Property
Cp,gas	374.93	J/mol×K	676.89	Calculated Property
Cp,gas	390.89	J/mol×K	757.67	Calculated Property
Cp,gas	404.61	J/mol×K	838.44	Calculated Property
Cp,gas	417.00	J/mol×K	919.22	Calculated Property
Cp,gas	428.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009125; 0.0004600]	Pa×s	[641.12; 801.22]	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			-1.04270e+01
Coefficient B			2.19752e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			641.12
Temperature range, max.			801.22
η	0.0009125	Pa×s	641.12	Calculated Property
η	0.0008318	Pa×s	658.91	Calculated Property
η	0.0007620	Pa×s	676.70	Calculated Property
η	0.0007012	Pa×s	694.49	Calculated Property
η	0.0006479	Pa×s	712.27	Calculated Property
η	0.0006010	Pa×s	730.06	Calculated Property
η	0.0005595	Pa×s	747.85	Calculated Property
η	0.0005225	Pa×s	765.64	Calculated Property
η	0.0004896	Pa×s	783.43	Calculated Property
η	0.0004600	Pa×s	801.22	Calculated Property

Similar Compounds

Find more compounds similar to 2,3,7-tribromo,8-chloro-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

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