Chemical Properties of Dibenzo-p-dioxin, 1,2,3,4,7-pentachloro- (CAS 39227-61-7)

InChI

InChI=1S/C12H3Cl5O2/c13-4-1-2-5-6(3-4)19-12-10(17)8(15)7(14)9(16)11(12)18-5/h1-3H

InChI Key

WRNGAZFESPEMCN-UHFFFAOYSA-N

Formula

C12H3Cl5O2

SMILES

Clc1ccc2c(c1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2

Molecular Weight¹

356.42

CAS

39227-61-7

Other Names

• 1,2,3,4,7-pentachloro dibenzo-p-dioxin

• ω : Acentric Factor.
• 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_vapH° : Enthalpy of vaporization 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).
• 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
ω	0.6477		Relay (... Calculated Property
ΔfG°	56.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-110.92	kJ/mol	Relay (... Calculated Property
ΔfusH°	48.30	kJ/mol	Joback Calculated Property
ΔvapH°	107.74	kJ/mol	Relay (... Calculated Property
IE	8.06	eV	Relay (... Calculated Property
log10WS	-9.79		Relay (... Calculated Property
logPoct/wat	6.852		Crippen Calculated Property
McVol	194.500	ml/mol	McGowan Calculated Property
Pc	2835.36	kPa	Joback Calculated Property
Inp	[2573.00; 2583.00]
Inp	2573.00		NIST
Inp	2576.00		NIST
Inp	2573.00		NIST
Inp	2573.00		NIST
Inp	2582.00		NIST
Inp	2583.00		NIST
Inp	2573.00		NIST
Inp	2576.00		NIST
Tboil	648.17	K	Relay (... Calculated Property
Tc	982.26	K	Relay (... Calculated Property
Tfus	464.12	K	Relay (... Calculated Property
Vc	0.730	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[404.85; 441.79]	J/mol×K	[810.37; 1079.48]
Cp,gas	404.85	J/mol×K	810.37	Joback Calculated Property
Cp,gas	411.89	J/mol×K	855.22	Joback Calculated Property
Cp,gas	418.44	J/mol×K	900.07	Joback Calculated Property
Cp,gas	424.59	J/mol×K	944.92	Joback Calculated Property
Cp,gas	430.47	J/mol×K	989.77	Joback Calculated Property
Cp,gas	436.17	J/mol×K	1034.63	Joback Calculated Property
Cp,gas	441.79	J/mol×K	1079.48	Joback Calculated Property
η	[0.0004264; 0.0010376]	Pa×s	[593.92; 810.37]
η	0.0010376	Pa×s	593.92	Joback Calculated Property
η	0.0008575	Pa×s	630.00	Joback Calculated Property
η	0.0007235	Pa×s	666.07	Joback Calculated Property
η	0.0006211	Pa×s	702.14	Joback Calculated Property
η	0.0005413	Pa×s	738.22	Joback Calculated Property
η	0.0004778	Pa×s	774.30	Joback Calculated Property
η	0.0004264	Pa×s	810.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dibenzo-p-dioxin, 1,2,3,4,7-pentachloro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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