Chemical Properties of Dibenzo-p-dioxin, 1,3-dichloro- (CAS 50585-39-2)

InChI

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

InChI Key

AZYJYMAKTBXNSX-UHFFFAOYSA-N

Formula

C12H6Cl2O2

SMILES

Clc1cc(Cl)c2c(c1)Oc1ccccc1O2

Molecular Weight¹

253.08

CAS

50585-39-2

• 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°	120.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-60.01	kJ/mol	Joback Calculated Property
ΔfusH°	36.88	kJ/mol	Joback Calculated Property
ΔvapH°	67.35	kJ/mol	Joback Calculated Property
log10WS	-4.36		Crippen Calculated Property
logPoct/wat	4.891		Crippen Calculated Property
McVol	157.780	ml/mol	McGowan Calculated Property
Pc	3372.36	kPa	Joback Calculated Property
Inp	[1991.00; 1992.00]
Inp	1991.00		NIST
Inp	1992.00		NIST
Inp	1991.00		NIST
Tboil	683.14	K	Joback Calculated Property
Tc	945.37	K	Joback Calculated Property
Tfus	466.60	K	Joback Calculated Property
Vc	0.598	m3/kmol	Joback Calculated Property

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

Similar Compounds

Find more compounds similar to Dibenzo-p-dioxin, 1,3-dichloro-.

Sources

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

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