Chemical Properties of Dibenzo-p-dioxin, 1,2,3,4,6,7,9-heptachloro- (CAS 58200-70-7)

InChI

InChI=1S/C12HCl7O2/c13-2-1-3(14)9-10(4(2)15)21-12-8(19)6(17)5(16)7(18)11(12)20-9/h1H

InChI Key

KTJJIBIRZGQFQZ-UHFFFAOYSA-N

Formula

C12HCl7O2

SMILES

Clc1cc(Cl)c2c(c1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2

Molecular Weight¹

425.31

CAS

58200-70-7

Other Names

• 1,2,3,4,6,7,9-Heptachlorodibenzodioxin
• 1,2,3,4,6,7,9-Heptachlorodibenzo[b,e] [1,4]dioxin

• 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).
• 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°	13.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-196.06	kJ/mol	Joback Calculated Property
ΔfusH°	55.92	kJ/mol	Joback Calculated Property
ΔvapH°	92.58	kJ/mol	Joback Calculated Property
log10WS	-7.78		Crippen Calculated Property
logPoct/wat	8.158		Crippen Calculated Property
McVol	218.980	ml/mol	McGowan Calculated Property
Pc	2545.61	kPa	Joback Calculated Property
Inp	[464.45; 2961.00]
Inp	464.45		NIST
Inp	2949.00		NIST
Inp	2961.00		NIST
Tboil	895.19	K	Joback Calculated Property
Tc	1167.63	K	Joback Calculated Property
Tfus	678.80	K	Joback Calculated Property
Vc	0.843	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[429.71; 460.89]	J/mol×K	[895.19; 1167.63]
Cp,gas	429.71	J/mol×K	895.19	Joback Calculated Property
Cp,gas	435.32	J/mol×K	940.60	Joback Calculated Property
Cp,gas	440.64	J/mol×K	986.00	Joback Calculated Property
Cp,gas	445.77	J/mol×K	1031.41	Joback Calculated Property
Cp,gas	450.79	J/mol×K	1076.81	Joback Calculated Property
Cp,gas	455.80	J/mol×K	1122.22	Joback Calculated Property
Cp,gas	460.89	J/mol×K	1167.63	Joback Calculated Property
η	[0.0003540; 0.0007797]	Pa×s	[678.80; 895.19]
η	0.0007797	Pa×s	678.80	Joback Calculated Property
η	0.0006612	Pa×s	714.87	Joback Calculated Property
η	0.0005697	Pa×s	750.93	Joback Calculated Property
η	0.0004976	Pa×s	787.00	Joback Calculated Property
η	0.0004398	Pa×s	823.06	Joback Calculated Property
η	0.0003928	Pa×s	859.12	Joback Calculated Property
η	0.0003540	Pa×s	895.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dibenzo-p-dioxin, 1,2,3,4,6,7,9-heptachloro-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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