Chemical Properties of Dibenzodioxin, 1,2,7-tribromo-, 4,9-dichloro-

InChI

InChI=1S/C12H3Br3Cl2O2/c13-4-1-6(16)10-8(2-4)18-11-7(17)3-5(14)9(15)12(11)19-10/h1-3H

InChI Key

DRFRGXSQIIKZCX-UHFFFAOYSA-N

Formula

C12H3Br3Cl2O2

SMILES

Clc1cc(Br)cc2c1Oc1c(Br)c(Br)cc(Cl)c1O2

Molecular Weight¹

489.77

Other Names

• 1,2,7-tribromo-4,9-dichloro-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°	51.57	kJ/mol	Joback Calculated Property
log10WS	-10.56		Relay (1.0) Calculated Property
logPoct/wat	7.179		Crippen Calculated Property
McVol	210.280	ml/mol	McGowan Calculated Property
Inp	[2814.00; 2814.00]
Inp	2814.00		NIST
Inp	2814.00		NIST
Inp	2814.00		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	[246.06; 434.18]	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			5.82000e+01
Coefficient B			8.78700e-01
Coefficient C			-7.71320e-04
Coefficient D			2.68600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	246.06	J/mol×K	273.00	Calculated Property
Cp,gas	284.42	J/mol×K	353.78	Calculated Property
Cp,gas	316.43	J/mol×K	434.56	Calculated Property
Cp,gas	342.94	J/mol×K	515.33	Calculated Property
Cp,gas	364.81	J/mol×K	596.11	Calculated Property
Cp,gas	382.88	J/mol×K	676.89	Calculated Property
Cp,gas	398.00	J/mol×K	757.67	Calculated Property
Cp,gas	411.03	J/mol×K	838.44	Calculated Property
Cp,gas	422.80	J/mol×K	919.22	Calculated Property
Cp,gas	434.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007743; 0.0004236]	Pa×s	[683.56; 831.48]	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			-1.05541e+01
Coefficient B			2.31758e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			683.56
Temperature range, max.			831.48
η	0.0007743	Pa×s	683.56	Calculated Property
η	0.0007150	Pa×s	700.00	Calculated Property
η	0.0006627	Pa×s	716.43	Calculated Property
η	0.0006163	Pa×s	732.87	Calculated Property
η	0.0005750	Pa×s	749.30	Calculated Property
η	0.0005381	Pa×s	765.74	Calculated Property
η	0.0005049	Pa×s	782.18	Calculated Property
η	0.0004751	Pa×s	798.61	Calculated Property
η	0.0004481	Pa×s	815.05	Calculated Property
η	0.0004236	Pa×s	831.48	Calculated Property

Similar Compounds

Find more compounds similar to Dibenzodioxin, 1,2,7-tribromo-, 4,9-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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