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

InChI

InChI=1S/C14H25F3O6/c1-2-3-4-19-5-6-20-7-8-21-9-10-22-11-12-23-13(18)14(15,16)17/h2-12H2,1H3

InChI Key

ZTOUDZGTXQOXCW-UHFFFAOYSA-N

Formula

C14H25F3O6

SMILES

CCCCOCCOCCOCCOCCOC(=O)C(F)(F)F

Molecular Weight¹

346.34

Other Names

• Tetraethylene glycol monobutyl ether, trifluoroacetate
• 3,6,9,12-Tetraoxahexadec-1-yl 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	0.8790		Relay (1.0) Calculated Property
ΔfG°	-1244.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-1727.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.96	kJ/mol	Joback Calculated Property
ΔvapH°	80.88	kJ/mol	Relay (1.0) Calculated Property
IE	10.27	eV	Relay (1.0) Calculated Property
log10WS	-1.44		Relay (1.0) Calculated Property
logPoct/wat	1.958		Crippen Calculated Property
McVol	244.350	ml/mol	McGowan Calculated Property
Pc	1331.01	kPa	Joback Calculated Property
Inp	[1703.10; 1735.10]
Inp	1735.10		NIST
Inp	1703.10		NIST
Inp	1735.10		NIST
Inp	1703.10		NIST
Tboil	562.49	K	Relay (1.0) Calculated Property
Tc	676.34	K	Relay (1.0) Calculated Property
Tfus	212.99	K	Relay (1.0) Calculated Property
Vc	0.931	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[403.56; 846.39]	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			1.11371e+02
Coefficient B			1.18742e+00
Coefficient C			-4.20200e-04
Coefficient D			-3.22000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	403.56	J/mol×K	273.00	Calculated Property
Cp,gas	477.44	J/mol×K	353.78	Calculated Property
Cp,gas	545.38	J/mol×K	434.56	Calculated Property
Cp,gas	607.29	J/mol×K	515.33	Calculated Property
Cp,gas	663.07	J/mol×K	596.11	Calculated Property
Cp,gas	712.61	J/mol×K	676.89	Calculated Property
Cp,gas	755.81	J/mol×K	757.67	Calculated Property
Cp,gas	792.58	J/mol×K	838.44	Calculated Property
Cp,gas	822.81	J/mol×K	919.22	Calculated Property
Cp,gas	846.39	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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