Chemical Properties of 2-(2,2,2-Trifluoroacetyl)oxyethyl 2,2,2-trifluoroacetate

InChI

InChI=1S/C6H4F6O4/c7-5(8,9)3(13)15-1-2-16-4(14)6(10,11)12/h1-2H2

InChI Key

CXCMIWOFWYPWSS-UHFFFAOYSA-N

Formula

C6H4F6O4

SMILES

O=C(OCCOC(=O)C(F)(F)F)C(F)(F)F

Molecular Weight¹

254.08

Other Names

• Ethylene glycol, bis(trifluoroacetate)
• Acetic acid, trifluoro-, ethylene ester

• 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

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	[211.71; 390.45]	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			3.58520e+01
Coefficient B			7.86600e-01
Coefficient C			-5.55400e-04
Coefficient D			1.23400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	211.71	J/mol×K	273.00	Calculated Property
Cp,gas	250.08	J/mol×K	353.78	Calculated Property
Cp,gas	282.92	J/mol×K	434.56	Calculated Property
Cp,gas	310.60	J/mol×K	515.33	Calculated Property
Cp,gas	333.53	J/mol×K	596.11	Calculated Property
Cp,gas	352.09	J/mol×K	676.89	Calculated Property
Cp,gas	366.67	J/mol×K	757.67	Calculated Property
Cp,gas	377.67	J/mol×K	838.44	Calculated Property
Cp,gas	385.46	J/mol×K	919.22	Calculated Property
Cp,gas	390.45	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-(2,2,2-Trifluoroacetyl)oxyethyl 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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