Chemical Properties of 2-[2-[2-(2-Butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate

InChI

InChI=1S/C15H25F5O6/c1-2-3-4-22-5-6-23-7-8-24-9-10-25-11-12-26-13(21)14(16,17)15(18,19)20/h2-12H2,1H3

InChI Key

COFNBSPQYZUHQI-UHFFFAOYSA-N

Formula

C15H25F5O6

SMILES

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

Molecular Weight¹

396.35

Other Names

• Tetraethylene glycol monobutyl ether, pentafluoropropionate
• 3,6,9,12-Tetraoxahexadec-1-yl pentafluoropropionate

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9206		Relay (1.0) Calculated Property
ΔfG°	-1623.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-2171.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.30	kJ/mol	Joback Calculated Property
ΔvapH°	82.83	kJ/mol	Relay (1.0) Calculated Property
IE	10.34	eV	Relay (1.0) Calculated Property
log10WS	-3.01		Relay (1.0) Calculated Property
logPoct/wat	2.594		Crippen Calculated Property
McVol	261.980	ml/mol	McGowan Calculated Property
Pc	1182.53	kPa	Joback Calculated Property
Inp	[1703.30; 1703.30]
Inp	1703.30		NIST
Inp	1703.30		NIST
Tboil	557.00	K	Relay (1.0) Calculated Property
Tc	663.39	K	Relay (1.0) Calculated Property
Tfus	208.12	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[439.72; 913.59]	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			9.81710e+01
Coefficient B			1.43182e+00
Coefficient C			-6.79200e-04
Coefficient D			6.28000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	439.72	J/mol×K	273.00	Calculated Property
Cp,gas	522.49	J/mol×K	353.78	Calculated Property
Cp,gas	597.27	J/mol×K	434.56	Calculated Property
Cp,gas	664.26	J/mol×K	515.33	Calculated Property
Cp,gas	723.64	J/mol×K	596.11	Calculated Property
Cp,gas	775.64	J/mol×K	676.89	Calculated Property
Cp,gas	820.43	J/mol×K	757.67	Calculated Property
Cp,gas	858.22	J/mol×K	838.44	Calculated Property
Cp,gas	889.21	J/mol×K	919.22	Calculated Property
Cp,gas	913.59	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-[2-[2-(2-Butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate.

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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