Chemical Properties of 2-(2-Methoxyethoxy)ethyl 2,2,2-trifluoroacetate

InChI

InChI=1S/C7H11F3O4/c1-12-2-3-13-4-5-14-6(11)7(8,9)10/h2-5H2,1H3

InChI Key

SKIQSOPREJGUFT-UHFFFAOYSA-N

Formula

C7H11F3O4

SMILES

COCCOCCOC(=O)C(F)(F)F

Molecular Weight¹

216.16

Other Names

• Diethylene glycol monomethyl ether, trifluoroacetate
• 3,6-Dioxahept-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	-1322.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.46	kJ/mol	Joback Calculated Property
ΔvapH°	55.22	kJ/mol	Relay (1.0) Calculated Property
IE	10.62	eV	Relay (1.0) Calculated Property
log10WS	0.24		Relay (1.0) Calculated Property
logPoct/wat	0.755		Crippen Calculated Property
McVol	133.980	ml/mol	McGowan Calculated Property
Pc	2414.74	kPa	Joback Calculated Property
Inp	[973.90; 973.90]
Inp	973.90		NIST
Inp	973.90		NIST
Tboil	444.06	K	Relay (1.0) Calculated Property
Tc	571.38	K	Relay (1.0) Calculated Property
Tfus	220.48	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	[224.26; 448.25]	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			6.67340e+01
Coefficient B			6.48820e-01
Coefficient C			-2.61400e-04
Coefficient D			-5.90000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	224.26	J/mol×K	273.00	Calculated Property
Cp,gas	263.29	J/mol×K	353.78	Calculated Property
Cp,gas	298.84	J/mol×K	434.56	Calculated Property
Cp,gas	330.87	J/mol×K	515.33	Calculated Property
Cp,gas	359.36	J/mol×K	596.11	Calculated Property
Cp,gas	384.32	J/mol×K	676.89	Calculated Property
Cp,gas	405.70	J/mol×K	757.67	Calculated Property
Cp,gas	423.49	J/mol×K	838.44	Calculated Property
Cp,gas	437.69	J/mol×K	919.22	Calculated Property
Cp,gas	448.25	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-(2-Methoxyethoxy)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.
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