Chemical Properties of 2-[2-[2-[2-[2-[2-[2-[2-(2,2,2-Trifluoroacetyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate

InChI

InChI=1S/C20H32F6O11/c21-19(22,23)17(27)36-15-13-34-11-9-32-7-5-30-3-1-29-2-4-31-6-8-33-10-12-35-14-16-37-18(28)20(24,25)26/h1-16H2

InChI Key

OUCQBZQZSJUTSF-UHFFFAOYSA-N

Formula

C20H32F6O11

SMILES

O=C(OCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(F)(F)F)C(F)(F)F

Molecular Weight¹

562.45

Other Names

• 26,26,26-Trifluoro-25-oxo-3,6,9,12,15,18,21,24-octaoxahexacos-1-yl trifluoroacetate
• Octaethylene glycol, bis(trifluoroacetate)

• 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).
• IE : Ionization energy (eV).
• 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	-3062.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	68.26	kJ/mol	Joback Calculated Property
ΔvapH°	109.01	kJ/mol	Relay (1.0) Calculated Property
IE	10.63	eV	Relay (1.0) Calculated Property
logPoct/wat	1.314		Crippen Calculated Property
McVol	359.250	ml/mol	McGowan Calculated Property
Inp	[2428.70; 2428.70]
Inp	2428.70		NIST
Inp	2428.70		NIST
Tboil	663.96	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, 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	[616.53; 1242.23]	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			2.01626e+02
Coefficient B			1.67420e+00
Coefficient C			-5.40000e-04
Coefficient D			-9.36000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	616.53	J/mol×K	273.00	Calculated Property
Cp,gas	722.19	J/mol×K	353.78	Calculated Property
Cp,gas	819.51	J/mol×K	434.56	Calculated Property
Cp,gas	908.18	J/mol×K	515.33	Calculated Property
Cp,gas	987.92	J/mol×K	596.11	Calculated Property
Cp,gas	1058.43	J/mol×K	676.89	Calculated Property
Cp,gas	1119.41	J/mol×K	757.67	Calculated Property
Cp,gas	1170.57	J/mol×K	838.44	Calculated Property
Cp,gas	1211.60	J/mol×K	919.22	Calculated Property
Cp,gas	1242.23	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-[2-[2-[2-[2-[2-[2-[2-(2,2,2-Trifluoroacetyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate.

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.
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