Chemical Properties of 1,3,6,8-Tetrachlorodibenzo-p-dioxin (CAS 33423-92-6)

InChI

InChI=1S/C12H4Cl4O2/c13-5-1-7(15)11-9(3-5)18-12-8(16)2-6(14)4-10(12)17-11/h1-4H

InChI Key

OTQFXRBLGNEOGH-UHFFFAOYSA-N

Formula

C12H4Cl4O2

SMILES

Clc1cc(Cl)c2c(c1)Oc1c(Cl)cc(Cl)cc1O2

Molecular Weight¹

321.97

CAS

33423-92-6

Other Names

• 1,3,6,8-TCDD
• 1,3,6,8-Tetrachlorobenzo-p-dioxin
• 1,3,6,8-Tetrachlorodibenzo-para-dioxin
• 1,3,6,8-Tetrachlorodibenzo[1,4]dioxin
• 1,3,6,8-Tetrachlorodibenzo[b,e] [1,4]dioxin
• 1,3,6,8-Tetrachlorodibenzodioxin
• 1,3,6,8-Tetrachlorooxanthrene
• Dibenzo(b,e)(1,4)dioxin, 1,3,6,8-tetrachloro-
• Dibenzo-p-dioxin, 1,3,6,8-tetrachloro-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	77.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-114.43	kJ/mol	Joback Calculated Property
ΔfusH°	44.49	kJ/mol	Joback Calculated Property
ΔvapH°	77.44	kJ/mol	Joback Calculated Property
log10WS	-9.00		Aq. Sol...
logPoct/wat	6.198		Crippen Calculated Property
McVol	182.260	ml/mol	McGowan Calculated Property
Pc	2999.15	kPa	Joback Calculated Property
Inp	[2260.00; 2290.00]
Inp	2260.00		NIST
Inp	2260.00		NIST
Inp	2260.00		NIST
Inp	2260.00		NIST
Inp	2290.00		NIST
Inp	2262.00		NIST
Inp	2290.00		NIST
Inp	2290.00		NIST
Inp	2290.00		NIST
Inp	2262.00		NIST
Inp	2260.00		NIST
Inp	2290.00		NIST
Tboil	767.96	K	Joback Calculated Property
Tc	1035.13	K	Joback Calculated Property
Tfus	551.48	K	Joback Calculated Property
Vc	0.696	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[390.63; 431.25]	J/mol×K	[767.96; 1035.13]
Cp,gas	390.63	J/mol×K	767.96	Joback Calculated Property
Cp,gas	398.57	J/mol×K	812.49	Joback Calculated Property
Cp,gas	405.89	J/mol×K	857.02	Joback Calculated Property
Cp,gas	412.71	J/mol×K	901.55	Joback Calculated Property
Cp,gas	419.14	J/mol×K	946.08	Joback Calculated Property
Cp,gas	425.28	J/mol×K	990.60	Joback Calculated Property
Cp,gas	431.25	J/mol×K	1035.13	Joback Calculated Property
η	[0.0004605; 0.0011898]	Pa×s	[551.48; 767.96]
η	0.0011898	Pa×s	551.48	Joback Calculated Property
η	0.0009675	Pa×s	587.56	Joback Calculated Property
η	0.0008058	Pa×s	623.64	Joback Calculated Property
η	0.0006847	Pa×s	659.72	Joback Calculated Property
η	0.0005917	Pa×s	695.80	Joback Calculated Property
η	0.0005188	Pa×s	731.88	Joback Calculated Property
η	0.0004605	Pa×s	767.96	Joback Calculated Property
ΔsubH	118.60 ± 3.20	kJ/mol	393.00	NIST

Similar Compounds

Find more compounds similar to 1,3,6,8-Tetrachlorodibenzo-p-dioxin.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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