Chemical Properties of Dibenzo[b,e][1,4]dioxin, 2,8-dichloro- (CAS 38964-22-6)

InChI

InChI=1S/C12H6Cl2O2/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9/h1-6H

InChI Key

WMWJCKBJUQDYLM-UHFFFAOYSA-N

Formula

C12H6Cl2O2

SMILES

Clc1ccc2c(c1)Oc1cc(Cl)ccc1O2

Molecular Weight¹

253.08

CAS

38964-22-6

Other Names

• 2,8-Dichlorodibenzo-p-dioxin
• Dibenzo-p-dioxin, 2,8-dichloro

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-113.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.88	kJ/mol	Joback Calculated Property
ΔvapH°	89.35	kJ/mol	Relay (1.0) Calculated Property
IE	7.80 ± 0.00	eV	NIST
log10WS	-7.18		Aq. Solubility Prediction
logPoct/wat	4.891		Crippen Calculated Property
McVol	157.780	ml/mol	McGowan Calculated Property
Inp	[1976.00; 1996.00]
Inp	1985.00		NIST
Inp	1985.00		NIST
Inp	1976.00		NIST
Inp	1985.00		NIST
Inp	1985.00		NIST
Inp	1996.00		NIST
Tboil	601.90	K	Relay (1.0) Calculated Property
Tfus	446.70	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[357.63; 407.80]	J/mol×K	[683.14; 945.37]
Cp,gas	357.63	J/mol×K	683.14	Joback Calculated Property
Cp,gas	367.82	J/mol×K	726.84	Joback Calculated Property
Cp,gas	377.11	J/mol×K	770.55	Joback Calculated Property
Cp,gas	385.63	J/mol×K	814.25	Joback Calculated Property
Cp,gas	393.51	J/mol×K	857.96	Joback Calculated Property
Cp,gas	400.86	J/mol×K	901.66	Joback Calculated Property
Cp,gas	407.80	J/mol×K	945.37	Joback Calculated Property
η	[0.0005130; 0.0015388]	Pa×s	[466.60; 683.14]
η	0.0015388	Pa×s	466.60	Joback Calculated Property
η	0.0011999	Pa×s	502.69	Joback Calculated Property
η	0.0009673	Pa×s	538.78	Joback Calculated Property
η	0.0008012	Pa×s	574.87	Joback Calculated Property
η	0.0006785	Pa×s	610.96	Joback Calculated Property
η	0.0005854	Pa×s	647.05	Joback Calculated Property
η	0.0005130	Pa×s	683.14	Joback Calculated Property
ΔsubH	109.00	kJ/mol	334.00	NIST

Similar Compounds

Find more compounds similar to Dibenzo[b,e][1,4]dioxin, 2,8-dichloro-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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