Chemical Properties of 1,2,3,4,6,7,9-heptabromo-dibenzo-dioxin

InChI

InChI=1S/C12HBr7O2/c13-2-1-3(14)9-10(4(2)15)21-12-8(19)6(17)5(16)7(18)11(12)20-9/h1H

InChI Key

FWPZKTXUNSTROI-UHFFFAOYSA-N

Formula

C12HBr7O2

SMILES

Brc1cc(Br)c2c(c1Br)Oc1c(Br)c(Br)c(Br)c(Br)c1O2

Molecular Weight¹

736.47

• 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).
• 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°	63.53	kJ/mol	Joback Calculated Property
logPoct/wat	8.922		Crippen Calculated Property
McVol	255.800	ml/mol	McGowan Calculated Property
Inp	[3852.00; 3852.00]
Inp	3852.00		NIST
Inp	3852.00		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, Log10 of Water solubility in mol/l 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	[280.30; 447.84]	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			9.37800e+01
Coefficient B			8.98900e-01
Coefficient C			-8.82040e-04
Coefficient D			3.37200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	280.30	J/mol×K	273.00	Calculated Property
Cp,gas	316.33	J/mol×K	353.78	Calculated Property
Cp,gas	345.51	J/mol×K	434.56	Calculated Property
Cp,gas	368.92	J/mol×K	515.33	Calculated Property
Cp,gas	387.62	J/mol×K	596.11	Calculated Property
Cp,gas	402.68	J/mol×K	676.89	Calculated Property
Cp,gas	415.17	J/mol×K	757.67	Calculated Property
Cp,gas	426.14	J/mol×K	838.44	Calculated Property
Cp,gas	436.68	J/mol×K	919.22	Calculated Property
Cp,gas	447.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003189; 0.0002246]	Pa×s	[887.96; 990.30]	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			-1.14421e+01
Coefficient B			3.01154e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			887.96
Temperature range, max.			990.30
η	0.0003189	Pa×s	887.96	Calculated Property
η	0.0003055	Pa×s	899.33	Calculated Property
η	0.0002930	Pa×s	910.70	Calculated Property
η	0.0002813	Pa×s	922.07	Calculated Property
η	0.0002703	Pa×s	933.44	Calculated Property
η	0.0002600	Pa×s	944.82	Calculated Property
η	0.0002504	Pa×s	956.19	Calculated Property
η	0.0002413	Pa×s	967.56	Calculated Property
η	0.0002327	Pa×s	978.93	Calculated Property
η	0.0002246	Pa×s	990.30	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,3,4,6,7,9-heptabromo-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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