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

InChI

InChI=1S/C6H9F3O4/c7-6(8,9)5(11)13-4-3-12-2-1-10/h10H,1-4H2

InChI Key

XHCFUEDTUDBMFR-UHFFFAOYSA-N

Formula

C6H9F3O4

SMILES

O=C(OCCOCCO)C(F)(F)F

Molecular Weight¹

202.13

Other Names

• Diethylene glycol, mono(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).
• 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	-1351.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.77	kJ/mol	Joback Calculated Property
ΔvapH°	62.98	kJ/mol	Relay (1.0) Calculated Property
IE	10.90	eV	Relay (1.0) Calculated Property
logPoct/wat	0.101		Crippen Calculated Property
McVol	119.890	ml/mol	McGowan Calculated Property
Pc	2986.06	kPa	Joback Calculated Property
Inp	[997.90; 997.90]
Inp	997.90		NIST
Inp	997.90		NIST
Tboil	465.24	K	Relay (1.0) Calculated Property
Tc	599.28	K	Relay (1.0) Calculated Property
Tfus	250.44	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[200.14; 396.83]	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			4.74340e+01
Coefficient B			6.51000e-01
Coefficient C			-3.48400e-04
Coefficient D			4.68000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	200.14	J/mol×K	273.00	Calculated Property
Cp,gas	236.21	J/mol×K	353.78	Calculated Property
Cp,gas	268.38	J/mol×K	434.56	Calculated Property
Cp,gas	296.80	J/mol×K	515.33	Calculated Property
Cp,gas	321.61	J/mol×K	596.11	Calculated Property
Cp,gas	342.97	J/mol×K	676.89	Calculated Property
Cp,gas	361.03	J/mol×K	757.67	Calculated Property
Cp,gas	375.92	J/mol×K	838.44	Calculated Property
Cp,gas	387.81	J/mol×K	919.22	Calculated Property
Cp,gas	396.83	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-(2-Hydroxyethoxy)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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