Chemical Properties of 1-bromo,2,7,8-trichloro-dibenzo-dioxin

InChI

InChI=1S/C12H4BrCl3O2/c13-11-5(14)1-2-8-12(11)18-10-4-7(16)6(15)3-9(10)17-8/h1-4H

InChI Key

MOMKHKDEPFPXLL-UHFFFAOYSA-N

Formula

C12H4BrCl3O2

SMILES

Clc1cc2c(cc1Cl)Oc1c(ccc(Cl)c1Br)O2

Molecular Weight¹

366.42

• 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).
• IE : Ionization energy (eV).
• 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°	45.58	kJ/mol	Joback Calculated Property
IE	7.90	eV	Relay (1.0) Calculated Property
log10WS	-9.18		Relay (1.0) Calculated Property
logPoct/wat	6.307		Crippen Calculated Property
McVol	187.520	ml/mol	McGowan Calculated Property
Inp	[2466.00; 2466.00]
Inp	2466.00		NIST
Inp	2466.00		NIST
Tfus	438.32	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 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	[228.95; 427.35]	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			4.04100e+01
Coefficient B			8.68600e-01
Coefficient C			-7.15960e-04
Coefficient D			2.34300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	228.95	J/mol×K	273.00	Calculated Property
Cp,gas	268.47	J/mol×K	353.78	Calculated Property
Cp,gas	301.89	J/mol×K	434.56	Calculated Property
Cp,gas	329.96	J/mol×K	515.33	Calculated Property
Cp,gas	353.41	J/mol×K	596.11	Calculated Property
Cp,gas	372.98	J/mol×K	676.89	Calculated Property
Cp,gas	389.42	J/mol×K	757.67	Calculated Property
Cp,gas	403.47	J/mol×K	838.44	Calculated Property
Cp,gas	415.87	J/mol×K	919.22	Calculated Property
Cp,gas	427.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011065; 0.0005157]	Pa×s	[581.36; 750.35]	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			-1.01962e+01
Coefficient B			1.97060e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			581.36
Temperature range, max.			750.35
η	0.0011065	Pa×s	581.36	Calculated Property
η	0.0009951	Pa×s	600.14	Calculated Property
η	0.0009008	Pa×s	618.91	Calculated Property
η	0.0008202	Pa×s	637.69	Calculated Property
η	0.0007508	Pa×s	656.47	Calculated Property
η	0.0006907	Pa×s	675.24	Calculated Property
η	0.0006382	Pa×s	694.02	Calculated Property
η	0.0005922	Pa×s	712.79	Calculated Property
η	0.0005517	Pa×s	731.57	Calculated Property
η	0.0005157	Pa×s	750.35	Calculated Property

Similar Compounds

Find more compounds similar to 1-bromo,2,7,8-trichloro-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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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