Chemical Properties of 1,7-dibromo,2,3-dichloro-dibenzo-dioxin

InChI

InChI=1S/C12H4Br2Cl2O2/c13-5-1-2-7-8(3-5)17-9-4-6(15)11(16)10(14)12(9)18-7/h1-4H

InChI Key

VEJPWDPHPUGOAX-UHFFFAOYSA-N

Formula

C12H4Br2Cl2O2

SMILES

Clc1cc2c(c(Br)c1Cl)Oc1ccc(Br)cc1O2

Molecular Weight¹

410.87

• 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°	46.67	kJ/mol	Joback Calculated Property
log10WS	-9.51		Relay (1.0) Calculated Property
logPoct/wat	6.416		Crippen Calculated Property
McVol	192.780	ml/mol	McGowan Calculated Property
Inp	[2562.00; 2562.00]
Inp	2562.00		NIST
Inp	2562.00		NIST
Tfus	456.01	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	[229.53; 428.15]	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			3.57100e+01
Coefficient B			9.00000e-01
Coefficient C			-7.66960e-04
Coefficient D			2.59400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	229.53	J/mol×K	273.00	Calculated Property
Cp,gas	269.60	J/mol×K	353.78	Calculated Property
Cp,gas	303.26	J/mol×K	434.56	Calculated Property
Cp,gas	331.33	J/mol×K	515.33	Calculated Property
Cp,gas	354.62	J/mol×K	596.11	Calculated Property
Cp,gas	373.95	J/mol×K	676.89	Calculated Property
Cp,gas	390.15	J/mol×K	757.67	Calculated Property
Cp,gas	404.04	J/mol×K	838.44	Calculated Property
Cp,gas	416.43	J/mol×K	919.22	Calculated Property
Cp,gas	428.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010117; 0.0004908]	Pa×s	[611.24; 775.82]	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			-1.03057e+01
Coefficient B			2.08406e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			611.24
Temperature range, max.			775.82
η	0.0010117	Pa×s	611.24	Calculated Property
η	0.0009163	Pa×s	629.53	Calculated Property
η	0.0008345	Pa×s	647.81	Calculated Property
η	0.0007640	Pa×s	666.10	Calculated Property
η	0.0007027	Pa×s	684.39	Calculated Property
η	0.0006492	Pa×s	702.68	Calculated Property
η	0.0006021	Pa×s	720.96	Calculated Property
η	0.0005606	Pa×s	739.25	Calculated Property
η	0.0005237	Pa×s	757.54	Calculated Property
η	0.0004908	Pa×s	775.82	Calculated Property

Similar Compounds

Find more compounds similar to 1,7-dibromo,2,3-dichloro-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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