Chemical Properties of Dibenzo[b,e][1,4]dioxin, 1,6-dichloro-

InChI

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

InChI Key

MAWMBEVNJGEDAD-UHFFFAOYSA-N

Formula

C12H6Cl2O2

SMILES

Clc1cccc2c1Oc1cccc(Cl)c1O2

Molecular Weight¹

253.08

Other Names

• 1,6-Dichlorodibenzo[b,e] [1,4]dioxin

• 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_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).
• 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	0.5492		Relay (1.0) Calculated Property
ΔfG°	120.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-82.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.88	kJ/mol	Joback Calculated Property
ΔvapH°	86.95	kJ/mol	Relay (1.0) Calculated Property
IE	7.94	eV	Relay (1.0) Calculated Property
log10WS	-7.23		Relay (1.0) 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	[1968.00; 1969.00]
Inp	1968.00		NIST
Inp	1969.00		NIST
Inp	1969.00		NIST
Tboil	583.89	K	Relay (1.0) Calculated Property
Tc	899.84	K	Relay (1.0) Calculated Property
Tfus	432.19	K	Relay (1.0) Calculated Property
Vc	0.594	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

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
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[b,e][1,4]dioxin, 1,6-dichloro-.

Sources

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

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