Chemical Properties of Dibenzo-p-dioxin, 1,3-dichloro-

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

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-79.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.88	kJ/mol	Joback Calculated Property
IE	7.92	eV	Relay (1.0) Calculated Property
log10WS	-7.06		Relay (1.0) Calculated Property
logPoct/wat	4.891		Crippen Calculated Property
McVol	157.780	ml/mol	McGowan Calculated Property
Inp	[1991.00; 1992.00]
Inp	1991.00		NIST
Inp	1992.00		NIST
Inp	1991.00		NIST
Tfus	383.71	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[196.45; 416.09]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-9.27000e+00
Coefficient B			9.42600e-01
Coefficient C			-7.58240e-04
Coefficient D			2.41000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	196.45	J/mol×K	273.00	Calculated Property
Cp,gas	239.97	J/mol×K	353.78	Calculated Property
Cp,gas	276.93	J/mol×K	434.56	Calculated Property
Cp,gas	308.10	J/mol×K	515.33	Calculated Property
Cp,gas	334.24	J/mol×K	596.11	Calculated Property
Cp,gas	356.10	J/mol×K	676.89	Calculated Property
Cp,gas	374.45	J/mol×K	757.67	Calculated Property
Cp,gas	390.06	J/mol×K	838.44	Calculated Property
Cp,gas	403.69	J/mol×K	919.22	Calculated Property
Cp,gas	416.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015388; 0.0005534]	Pa×s	[466.60; 661.95]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-9.94228e+00
Coefficient B			1.61702e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			466.60
Temperature range, max.			661.95
η	0.0015388	Pa×s	466.60	Calculated Property
η	0.0013191	Pa×s	488.31	Calculated Property
η	0.0011457	Pa×s	510.01	Calculated Property
η	0.0010066	Pa×s	531.72	Calculated Property
η	0.0008934	Pa×s	553.42	Calculated Property
η	0.0008002	Pa×s	575.13	Calculated Property
η	0.0007224	Pa×s	596.83	Calculated Property
η	0.0006569	Pa×s	618.54	Calculated Property
η	0.0006012	Pa×s	640.25	Calculated Property
η	0.0005534	Pa×s	661.95	Calculated Property

Similar Compounds

Find more compounds similar to Dibenzo-p-dioxin, 1,3-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
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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