Chemical Properties of 1,2-dibromo-3,7,8-trichloro-dibenzo-p-dioxin

InChI

InChI=1S/C12H3Br2Cl3O2/c13-10-6(17)3-9-12(11(10)14)19-8-2-5(16)4(15)1-7(8)18-9/h1-3H

InChI Key

PBXHFYKXVLXNFK-UHFFFAOYSA-N

Formula

C12H3Br2Cl3O2

SMILES

Clc1cc2c(cc1Cl)Oc1c(cc(Cl)c(Br)c1Br)O2

Molecular Weight¹

445.32

Other Names

• Dibenzodioxin, 1,2-dibromo-, 3,7,8-trichloro-

• 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°	50.48	kJ/mol	Joback Calculated Property
log10WS	-10.45		Relay (1.0) Calculated Property
logPoct/wat	7.070		Crippen Calculated Property
McVol	205.020	ml/mol	McGowan Calculated Property
Inp	[2786.00; 2786.00]
Inp	2786.00		NIST
Inp	2786.00		NIST
Inp	2786.00		NIST
Tfus	472.20	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[414.90; 455.31]	J/mol×K	[868.03; 1151.91]
Cp,gas	414.90	J/mol×K	868.03	Joback Calculated Property
Cp,gas	421.69	J/mol×K	915.34	Joback Calculated Property
Cp,gas	428.26	J/mol×K	962.66	Joback Calculated Property
Cp,gas	434.75	J/mol×K	1009.97	Joback Calculated Property
Cp,gas	441.32	J/mol×K	1057.29	Joback Calculated Property
Cp,gas	448.12	J/mol×K	1104.60	Joback Calculated Property
Cp,gas	455.31	J/mol×K	1151.91	Joback Calculated Property
η	[0.0003760; 0.0008645]	Pa×s	[653.68; 868.03]
η	0.0008645	Pa×s	653.68	Joback Calculated Property
η	0.0007259	Pa×s	689.41	Joback Calculated Property
η	0.0006201	Pa×s	725.13	Joback Calculated Property
η	0.0005376	Pa×s	760.86	Joback Calculated Property
η	0.0004721	Pa×s	796.58	Joback Calculated Property
η	0.0004193	Pa×s	832.31	Joback Calculated Property
η	0.0003760	Pa×s	868.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-dibromo-3,7,8-trichloro-dibenzo-p-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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