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

InChI

InChI=1S/C12H21F3O6/c1-2-17-3-4-18-5-6-19-7-8-20-9-10-21-11(16)12(13,14)15/h2-10H2,1H3

InChI Key

QLHDTTPYYQAFDJ-UHFFFAOYSA-N

Formula

C12H21F3O6

SMILES

CCOCCOCCOCCOCCOC(=O)C(F)(F)F

Molecular Weight¹

318.29

Other Names

• Tetraethylene glycol monoethyl ether, trifluoroacetate
• 3,6,9,12-Tetraoxatetradec-1-yl 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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	-1690.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.78	kJ/mol	Joback Calculated Property
ΔvapH°	75.91	kJ/mol	Relay (1.0) Calculated Property
IE	10.28	eV	Relay (1.0) Calculated Property
log10WS	-0.65		Relay (1.0) Calculated Property
logPoct/wat	1.178		Crippen Calculated Property
McVol	216.170	ml/mol	McGowan Calculated Property
Pc	1539.08	kPa	Joback Calculated Property
Inp	[1532.50; 1532.50]
Inp	1532.50		NIST
Inp	1532.50		NIST
Tboil	539.84	K	Relay (1.0) Calculated Property
Tc	654.56	K	Relay (1.0) Calculated Property
Tfus	224.26	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[361.14; 743.21]	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			1.13189e+02
Coefficient B			9.97420e-01
Coefficient C			-3.11400e-04
Coefficient D			-5.60000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	361.14	J/mol×K	273.00	Calculated Property
Cp,gas	424.60	J/mol×K	353.78	Calculated Property
Cp,gas	483.22	J/mol×K	434.56	Calculated Property
Cp,gas	536.83	J/mol×K	515.33	Calculated Property
Cp,gas	585.24	J/mol×K	596.11	Calculated Property
Cp,gas	628.29	J/mol×K	676.89	Calculated Property
Cp,gas	665.78	J/mol×K	757.67	Calculated Property
Cp,gas	697.55	J/mol×K	838.44	Calculated Property
Cp,gas	723.42	J/mol×K	919.22	Calculated Property
Cp,gas	743.21	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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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