Chemical Properties of Dibenzo-p-dioxin, 2,3,7-trichloro- (CAS 33857-28-2)

InChI

InChI=1S/C12H5Cl3O2/c13-6-1-2-9-10(3-6)17-12-5-8(15)7(14)4-11(12)16-9/h1-5H

InChI Key

ZSIZNEVHVVRPFF-UHFFFAOYSA-N

Formula

C12H5Cl3O2

SMILES

Clc1ccc2c(c1)Oc1cc(Cl)c(Cl)cc1O2

Molecular Weight¹

287.53

CAS

33857-28-2

Other Names

• 2,3,7-Trichlorodibenzo-p-dioxin
• 2,3,7-trichlorodibenzodioxin

• 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	0.5897		Relay (... Calculated Property
ΔfG°	99.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-134.04	kJ/mol	Relay (... Calculated Property
ΔfusH°	40.69	kJ/mol	Joback Calculated Property
ΔvapH°	99.02	kJ/mol	Relay (... Calculated Property
IE	7.86	eV	Relay (... Calculated Property
log10WS	-8.26		Relay (... Calculated Property
logPoct/wat	5.545		Crippen Calculated Property
McVol	170.020	ml/mol	McGowan Calculated Property
Pc	3177.55	kPa	Joback Calculated Property
Inp	[2160.00; 2189.00]
Inp	2160.00		NIST
Inp	2160.00		NIST
Inp	2160.00		NIST
Inp	2181.00		NIST
Inp	2188.00		NIST
Inp	2189.00		NIST
Inp	2181.00		NIST
Inp	2188.00		NIST
Inp	2160.00		NIST
Tboil	617.09	K	Relay (... Calculated Property
Tc	929.94	K	Relay (... Calculated Property
Tfus	421.89	K	Relay (... Calculated Property
Vc	0.644	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[374.96; 419.96]	J/mol×K	[725.55; 990.47]
Cp,gas	374.96	J/mol×K	725.55	Joback Calculated Property
Cp,gas	383.94	J/mol×K	769.70	Joback Calculated Property
Cp,gas	392.18	J/mol×K	813.86	Joback Calculated Property
Cp,gas	399.78	J/mol×K	858.01	Joback Calculated Property
Cp,gas	406.87	J/mol×K	902.16	Joback Calculated Property
Cp,gas	413.56	J/mol×K	946.32	Joback Calculated Property
Cp,gas	419.96	J/mol×K	990.47	Joback Calculated Property
η	[0.0004903; 0.0013574]	Pa×s	[509.04; 725.55]
η	0.0013574	Pa×s	509.04	Joback Calculated Property
η	0.0010829	Pa×s	545.13	Joback Calculated Property
η	0.0008885	Pa×s	581.21	Joback Calculated Property
η	0.0007461	Pa×s	617.30	Joback Calculated Property
η	0.0006387	Pa×s	653.38	Joback Calculated Property
η	0.0005557	Pa×s	689.47	Joback Calculated Property
η	0.0004903	Pa×s	725.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dibenzo-p-dioxin, 2,3,7-trichloro-.

Sources

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

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