Chemical Properties of Ethyleneglycol bischloro acetate (CAS 6941-69-1)

InChI

InChI=1S/C6H8Cl2O4/c7-3-5(9)11-1-2-12-6(10)4-8/h1-4H2

InChI Key

HIIBHBNRMVLLKH-UHFFFAOYSA-N

Formula

C6H8Cl2O4

SMILES

O=C(CCl)OCCOC(=O)CCl

Molecular Weight¹

215.03

CAS

6941-69-1

Other Names

• 1,2-Bis(chloroacetoxy)ethane
• Ethylene glycol dichloroacetate
• Acetic acid, chloro-, 1,2-ethanediyl ester
• 2-[(2-Chloroacetyl)oxy]ethyl chloroacetate
• ethylene bis(chloroacetate)

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[192.25; 361.63]	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			7.40340e+01
Coefficient B			4.77800e-01
Coefficient C			-1.54200e-04
Coefficient D			-3.60000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.25	J/mol×K	273.00	Calculated Property
Cp,gas	222.18	J/mol×K	353.78	Calculated Property
Cp,gas	249.59	J/mol×K	434.56	Calculated Property
Cp,gas	274.38	J/mol×K	515.33	Calculated Property
Cp,gas	296.44	J/mol×K	596.11	Calculated Property
Cp,gas	315.64	J/mol×K	676.89	Calculated Property
Cp,gas	331.87	J/mol×K	757.67	Calculated Property
Cp,gas	345.02	J/mol×K	838.44	Calculated Property
Cp,gas	354.98	J/mol×K	919.22	Calculated Property
Cp,gas	361.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038089; 0.0002671]	Pa×s	[301.88; 504.48]	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			-1.21872e+01
Coefficient B			1.99748e+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.			301.88
Temperature range, max.			504.48
η	0.0038089	Pa×s	301.88	Calculated Property
η	0.0024065	Pa×s	324.39	Calculated Property
η	0.0016138	Pa×s	346.90	Calculated Property
η	0.0011362	Pa×s	369.41	Calculated Property
η	0.0008329	Pa×s	391.93	Calculated Property
η	0.0006315	Pa×s	414.44	Calculated Property
η	0.0004926	Pa×s	436.95	Calculated Property
η	0.0003938	Pa×s	459.46	Calculated Property
η	0.0003214	Pa×s	481.97	Calculated Property
η	0.0002671	Pa×s	504.48	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.13; 102.18]	kPa	[385.00; 556.70]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.86533e+01
Coefficient B			-7.48386e+03
Coefficient C			-2.31520e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			385.00
Temperature range, max.			556.70
Pvap	0.13	kPa	385.00	Calculated Property
Pvap	0.37	kPa	404.08	Calculated Property
Pvap	0.95	kPa	423.16	Calculated Property
Pvap	2.22	kPa	442.23	Calculated Property
Pvap	4.82	kPa	461.31	Calculated Property
Pvap	9.83	kPa	480.39	Calculated Property
Pvap	18.94	kPa	499.47	Calculated Property
Pvap	34.69	kPa	518.54	Calculated Property
Pvap	60.74	kPa	537.62	Calculated Property
Pvap	102.18	kPa	556.70	Calculated Property

Similar Compounds

Find more compounds similar to Ethyleneglycol bischloro acetate.

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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