Chemical Properties of Dibenzodioxin, 1-bromo-, 2,4,6,8-tetrachloro-

InChI

InChI=1S/C12H3BrCl4O2/c13-9-5(15)3-7(17)11-12(9)18-8-2-4(14)1-6(16)10(8)19-11/h1-3H

InChI Key

LCRYTKVGWWTMBD-UHFFFAOYSA-N

Formula

C12H3BrCl4O2

SMILES

Clc1cc(Cl)c2c(c1)Oc1c(Br)c(Cl)cc(Cl)c1O2

Molecular Weight¹

400.87

• 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

Property	Value	Unit	Source
ΔfusH°	49.39	kJ/mol	Joback Calculated Property
log10WS	-9.83		Relay (1.0) Calculated Property
logPoct/wat	6.961		Crippen Calculated Property
McVol	199.760	ml/mol	McGowan Calculated Property
Inp	[2567.00; 2567.00]
Inp	2567.00		NIST
Inp	2567.00		NIST
Tfus	432.59	K	Relay (1.0) Calculated Property

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	[244.90; 432.58]	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			6.76000e+01
Coefficient B			8.15900e-01
Coefficient C			-6.69320e-04
Coefficient D			2.18400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	244.90	J/mol×K	273.00	Calculated Property
Cp,gas	282.15	J/mol×K	353.78	Calculated Property
Cp,gas	313.68	J/mol×K	434.56	Calculated Property
Cp,gas	340.20	J/mol×K	515.33	Calculated Property
Cp,gas	362.39	J/mol×K	596.11	Calculated Property
Cp,gas	380.94	J/mol×K	676.89	Calculated Property
Cp,gas	396.54	J/mol×K	757.67	Calculated Property
Cp,gas	409.89	J/mol×K	838.44	Calculated Property
Cp,gas	421.67	J/mol×K	919.22	Calculated Property
Cp,gas	432.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009540; 0.0004857]	Pa×s	[623.80; 781.12]	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			-1.03064e+01
Coefficient B			2.09066e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			623.80
Temperature range, max.			781.12
η	0.0009540	Pa×s	623.80	Calculated Property
η	0.0008707	Pa×s	641.28	Calculated Property
η	0.0007985	Pa×s	658.76	Calculated Property
η	0.0007356	Pa×s	676.24	Calculated Property
η	0.0006805	Pa×s	693.72	Calculated Property
η	0.0006319	Pa×s	711.20	Calculated Property
η	0.0005889	Pa×s	728.68	Calculated Property
η	0.0005506	Pa×s	746.16	Calculated Property
η	0.0005164	Pa×s	763.64	Calculated Property
η	0.0004857	Pa×s	781.12	Calculated Property

Similar Compounds

Find more compounds similar to Dibenzodioxin, 1-bromo-, 2,4,6,8-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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