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)

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7150		Relay (1.0) Calculated Property
ΔfG°	-1057.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-1351.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.18	kJ/mol	Joback Calculated Property
ΔvapH°	62.39	kJ/mol	Relay (1.0) Calculated Property
IE	10.90	eV	Relay (1.0) Calculated Property
log10WS	0.43		Relay (1.0) Calculated Property
logPoct/wat	0.101		Crippen Calculated Property
McVol	119.890	ml/mol	McGowan Calculated Property
Pc	3124.49	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	598.64	K	Relay (1.0) Calculated Property
Tfus	250.55	K	Relay (1.0) Calculated Property
Vc	0.444	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[296.08; 340.54]	J/mol×K	[522.15; 679.99]
Cp,gas	296.08	J/mol×K	522.15	Joback Calculated Property
Cp,gas	304.33	J/mol×K	548.46	Joback Calculated Property
Cp,gas	312.24	J/mol×K	574.76	Joback Calculated Property
Cp,gas	319.81	J/mol×K	601.07	Joback Calculated Property
Cp,gas	327.05	J/mol×K	627.38	Joback Calculated Property
Cp,gas	333.95	J/mol×K	653.68	Joback Calculated Property
Cp,gas	340.54	J/mol×K	679.99	Joback 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

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