Chemical Properties of Dibenzo[b,e][1,4]dioxin, 1,2,4-trichloro- (CAS 39227-58-2)

InChI

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

InChI Key

HRVUKLBFRPWXPJ-UHFFFAOYSA-N

Formula

C12H5Cl3O2

SMILES

Clc1cc(Cl)c2c(c1Cl)Oc1ccccc1O2

Molecular Weight¹

287.53

CAS

39227-58-2

Other Names

• 1,2,4-Trichlorodibenzo-p-dioxin
• 1,2,4-Trichlorodibenzo-para-dioxin
• 1,2,4-Trichlorodibenzo[b,e] [1,4]dioxin
• 1,2,4-Trichlorodibenzodioxin
• 1,2,4-trichlorooxanthrene
• Dibenzo-p-dioxin, 1,2,4-trichloro-

• 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°	99.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-87.22	kJ/mol	Joback Calculated Property
ΔfusH°	40.69	kJ/mol	Joback Calculated Property
ΔvapH°	72.39	kJ/mol	Joback Calculated Property
log10WS	-7.60		Aq. Sol...
logPoct/wat	5.545		Crippen Calculated Property
McVol	170.020	ml/mol	McGowan Calculated Property
Pc	3177.55	kPa	Joback Calculated Property
Inp	[2143.00; 2176.00]
Inp	2143.00		NIST
Inp	2152.00		NIST
Inp	2152.00		NIST
Inp	2176.00		NIST
Inp	2176.00		NIST
Inp	2152.00		NIST
Inp	2143.00		NIST
Tboil	725.55	K	Joback Calculated Property
Tc	990.47	K	Joback Calculated Property
Tfus	509.04	K	Joback Calculated Property
Vc	0.646	m3/kmol	Joback 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
ΔsubH	[118.80; 121.00]	kJ/mol	[342.00; 365.50]
ΔsubH	118.80	kJ/mol	342.00	NIST
ΔsubH	121.00 ± 1.80	kJ/mol	365.50	NIST

Similar Compounds

Find more compounds similar to Dibenzo[b,e][1,4]dioxin, 1,2,4-trichloro-.

Sources

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

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