Chemical Properties of Diethylene glycol, bis(chlorodifluoroacetate)

InChI

InChI=1S/C8H8Cl2F4O5/c9-7(11,12)5(15)18-3-1-17-2-4-19-6(16)8(10,13)14/h1-4H2

InChI Key

GQKXNODITGSJSC-UHFFFAOYSA-N

Formula

C8H8Cl2F4O5

SMILES

O=C(OCCOCCOC(=O)C(F)(F)Cl)C(F)(F)Cl

Molecular Weight¹

331.05

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1721.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.29	kJ/mol	Joback Calculated Property
ΔvapH°	70.52	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.753		Crippen Calculated Property
McVol	175.890	ml/mol	McGowan Calculated Property
Inp	[1332.00; 1332.00]
Inp	1332.00		NIST
Inp	1332.00		NIST
Tboil	489.20	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[279.95; 514.53]	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			7.31340e+01
Coefficient B			9.03400e-01
Coefficient C			-5.61200e-04
Coefficient D			9.92000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	279.95	J/mol×K	273.00	Calculated Property
Cp,gas	326.89	J/mol×K	353.78	Calculated Property
Cp,gas	367.88	J/mol×K	434.56	Calculated Property
Cp,gas	403.23	J/mol×K	515.33	Calculated Property
Cp,gas	433.25	J/mol×K	596.11	Calculated Property
Cp,gas	458.27	J/mol×K	676.89	Calculated Property
Cp,gas	478.59	J/mol×K	757.67	Calculated Property
Cp,gas	494.54	J/mol×K	838.44	Calculated Property
Cp,gas	506.41	J/mol×K	919.22	Calculated Property
Cp,gas	514.53	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Diethylene glycol, bis(chlorodifluoroacetate).

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

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.
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