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

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

• 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°	60.45	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	235.03	K	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[256.34; 310.15]	J/mol×K	[456.38; 635.72]
Cp,gas	256.34	J/mol×K	456.38	Joback Calculated Property
Cp,gas	266.07	J/mol×K	486.27	Joback Calculated Property
Cp,gas	275.50	J/mol×K	516.16	Joback Calculated Property
Cp,gas	284.63	J/mol×K	546.05	Joback Calculated Property
Cp,gas	293.46	J/mol×K	575.94	Joback Calculated Property
Cp,gas	301.96	J/mol×K	605.83	Joback Calculated Property
Cp,gas	310.15	J/mol×K	635.72	Joback Calculated Property
η	[0.0002339; 0.0025371]	Pa×s	[261.68; 456.38]
η	0.0025371	Pa×s	261.68	Joback Calculated Property
η	0.0013697	Pa×s	294.13	Joback Calculated Property
η	0.0008358	Pa×s	326.58	Joback Calculated Property
η	0.0005576	Pa×s	359.03	Joback Calculated Property
η	0.0003979	Pa×s	391.48	Joback Calculated Property
η	0.0002989	Pa×s	423.93	Joback Calculated Property
η	0.0002339	Pa×s	456.38	Joback Calculated Property

Similar Compounds

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

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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