Chemical Properties of Dibenzodioxin, 1,9-dibromo-, 2,3,7,8-tetrachloro-

InChI

InChI=1S/C12H2Br2Cl4O2/c13-7-9(17)3(15)1-5-11(7)20-12-6(19-5)2-4(16)10(18)8(12)14/h1-2H

InChI Key

SKYSVRMBQVOVEL-UHFFFAOYSA-N

Formula

C12H2Br2Cl4O2

SMILES

Clc1cc2c(c(Br)c1Cl)Oc1c(cc(Cl)c(Cl)c1Br)O2

Molecular Weight¹

479.76

• 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	[261.44; 438.61]	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			9.00900e+01
Coefficient B			7.94600e-01
Coefficient C			-6.73680e-04
Coefficient D			2.27600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	261.44	J/mol×K	273.00	Calculated Property
Cp,gas	296.96	J/mol×K	353.78	Calculated Property
Cp,gas	326.85	J/mol×K	434.56	Calculated Property
Cp,gas	351.81	J/mol×K	515.33	Calculated Property
Cp,gas	372.58	J/mol×K	596.11	Calculated Property
Cp,gas	389.87	J/mol×K	676.89	Calculated Property
Cp,gas	404.39	J/mol×K	757.67	Calculated Property
Cp,gas	416.88	J/mol×K	838.44	Calculated Property
Cp,gas	428.05	J/mol×K	919.22	Calculated Property
Cp,gas	438.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007377; 0.0004209]	Pa×s	[696.12; 836.77]	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			-1.05507e+01
Coefficient B			2.32418e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			696.12
Temperature range, max.			836.77
η	0.0007377	Pa×s	696.12	Calculated Property
η	0.0006856	Pa×s	711.75	Calculated Property
η	0.0006391	Pa×s	727.38	Calculated Property
η	0.0005976	Pa×s	743.00	Calculated Property
η	0.0005603	Pa×s	758.63	Calculated Property
η	0.0005267	Pa×s	774.26	Calculated Property
η	0.0004963	Pa×s	789.89	Calculated Property
η	0.0004688	Pa×s	805.51	Calculated Property
η	0.0004437	Pa×s	821.14	Calculated Property
η	0.0004209	Pa×s	836.77	Calculated Property

Similar Compounds

Find more compounds similar to Dibenzodioxin, 1,9-dibromo-, 2,3,7,8-tetrachloro-.

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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