Chemical Properties of Dibenzo[b,e][1,4]dioxin, 2,3-dichloro-

InChI

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

InChI Key

YCIYTXRUZSDMRZ-UHFFFAOYSA-N

Formula

C12H6Cl2O2

SMILES

Clc1cc2c(cc1Cl)Oc1ccccc1O2

Molecular Weight¹

253.08

Other Names

• 2,3-Dichlorodibenzo-p-dioxin
• 2,3-Dichlorodibenzo-para-dioxin
• 2,3-Dichlorodibenzo[b,e] [1,4]dioxin
• 2,3-Dichlorodibenzodioxin
• Dibenzo-p-dioxin, 2,3-dichloro-

• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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	0.5507		Relay (1.0) Calculated Property
ΔfG°	120.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-100.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.88	kJ/mol	Joback Calculated Property
ΔsubH°	[108.60; 108.60]	kJ/mol
ΔsubH°	108.60 ± 1.00	kJ/mol	NIST
ΔsubH°	108.60 ± 1.00	kJ/mol	NIST
ΔvapH°	89.62	kJ/mol	Relay (1.0) Calculated Property
IE	7.87	eV	Relay (1.0) Calculated Property
log10WS	-7.35		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	[328.39; 2016.00]
Inp	1993.00		NIST
Inp	1984.00		NIST
Inp	1993.00		NIST
Inp	1993.00		NIST
Inp	2015.00		NIST
Inp	2016.00		NIST
Inp	328.39		NIST
Inp	328.39		NIST
Inp	1993.00		NIST
Tboil	602.33	K	Relay (1.0) Calculated Property
Tc	905.79	K	Relay (1.0) Calculated Property
Tfus	436.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.597	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	27.10	kJ/mol	431.60	NIST
ΔsubH	[106.20; 107.20]	kJ/mol	[340.00; 358.00]
ΔsubH	106.20	kJ/mol	340.00	NIST
ΔsubH	106.20 ± 1.10	kJ/mol	358.00	NIST
ΔsubH	107.20 ± 0.80	kJ/mol	358.00	NIST

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	[0.0019600; 0.0005534]	Pa×s	[436.15; 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.			436.15
Temperature range, max.			661.95
η	0.0019600	Pa×s	436.15	Calculated Property
η	0.0016021	Pa×s	461.24	Calculated Property
η	0.0013370	Pa×s	486.33	Calculated Property
η	0.0011358	Pa×s	511.42	Calculated Property
η	0.0009797	Pa×s	536.51	Calculated Property
η	0.0008563	Pa×s	561.59	Calculated Property
η	0.0007571	Pa×s	586.68	Calculated Property
η	0.0006761	Pa×s	611.77	Calculated Property
η	0.0006093	Pa×s	636.86	Calculated Property
η	0.0005534	Pa×s	661.95	Calculated Property

Similar Compounds

Find more compounds similar to Dibenzo[b,e][1,4]dioxin, 2,3-dichloro-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.