Chemical Properties of Ethane, 1,2-bis(2-chloroethoxy)- (CAS 112-26-5)

InChI

InChI=1S/C6H12Cl2O2/c7-1-3-9-5-6-10-4-2-8/h1-6H2

InChI Key

AGYUOJIYYGGHKV-UHFFFAOYSA-N

Formula

C6H12Cl2O2

SMILES

ClCCOCCOCCCl

Molecular Weight¹

187.06

CAS

112-26-5

Other Names

• 1,2-Bis(chloroethoxy)ethane
• 1,2-bis(2-chloroethoxy)ethane
• 1,8-Dichloro-3,6-dioxaoctane
• 1-Chloro-2-[2-(2-chloroethoxy)ethoxy]ethane
• 2-(2-Chlorethoxy)ethyl 2'-chlorethyl ether
• 2-(2-Chloroethoxy)ethyl 2'-chloroethyl ether
• Bis(2-chloroethoxy)ethane
• Bis(chloroethoxy)ethane
• Triethylene glycol dichloride
• Triglycol dichloride

• 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_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	-464.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.07	kJ/mol	Joback Calculated Property
ΔvapH°	61.28	kJ/mol	Relay (1.0) Calculated Property
IE	10.08	eV	Relay (1.0) Calculated Property
log10WS	-1.56		Relay (1.0) Calculated Property
logPoct/wat	1.497		Crippen Calculated Property
McVol	131.620	ml/mol	McGowan Calculated Property
Inp	[1626.00; 1626.00]
Inp	1626.00		NIST
Inp	1626.00		NIST
Tboil	508.20	K	NIST
Tfus	241.40	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[190.38; 382.42]	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			7.42160e+01
Coefficient B			4.61000e-01
Coefficient C			-1.21400e-04
Coefficient D			-3.14000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	190.38	J/mol×K	273.00	Calculated Property
Cp,gas	220.72	J/mol×K	353.78	Calculated Property
Cp,gas	249.04	J/mol×K	434.56	Calculated Property
Cp,gas	275.25	J/mol×K	515.33	Calculated Property
Cp,gas	299.23	J/mol×K	596.11	Calculated Property
Cp,gas	320.90	J/mol×K	676.89	Calculated Property
Cp,gas	340.15	J/mol×K	757.67	Calculated Property
Cp,gas	356.89	J/mol×K	838.44	Calculated Property
Cp,gas	371.01	J/mol×K	919.22	Calculated Property
Cp,gas	382.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0040571; 0.0002535]	Pa×s	[241.40; 445.20]	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			-1.15645e+01
Coefficient B			1.46222e+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.			241.40
Temperature range, max.			445.20
η	0.0040571	Pa×s	241.40	Calculated Property
η	0.0024133	Pa×s	264.04	Calculated Property
η	0.0015583	Pa×s	286.69	Calculated Property
η	0.0010728	Pa×s	309.33	Calculated Property
η	0.0007771	Pa×s	331.98	Calculated Property
η	0.0005866	Pa×s	354.62	Calculated Property
η	0.0004580	Pa×s	377.27	Calculated Property
η	0.0003677	Pa×s	399.91	Calculated Property
η	0.0003023	Pa×s	422.55	Calculated Property
η	0.0002535	Pa×s	445.20	Calculated Property

Similar Compounds

Find more compounds similar to Ethane, 1,2-bis(2-chloroethoxy)-.

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)
• 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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Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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