Chemical Properties of 2-[2-(2-Methoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate

InChI

InChI=1S/C11H15F7O5/c1-20-2-3-21-4-5-22-6-7-23-8(19)9(12,13)10(14,15)11(16,17)18/h2-7H2,1H3

InChI Key

UHMSQURMLHELID-UHFFFAOYSA-N

Formula

C11H15F7O5

SMILES

COCCOCCOCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

360.22

Other Names

• Triethylene glycol monomethyl ether, heptafluorobutyrate
• 3,6,9-Trioxadeca-1-yl heptafluorobutyrate

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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	-2354.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.50	kJ/mol	Joback Calculated Property
ΔvapH°	70.34	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.042		Crippen Calculated Property
McVol	203.290	ml/mol	McGowan Calculated Property
Inp	[1274.80; 1274.80]
Inp	1274.80		NIST
Inp	1274.80		NIST
Tboil	494.54	K	Relay (1.0) Calculated Property
Tc	611.48	K	Relay (1.0) Calculated Property
Tfus	215.36	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[354.39; 704.34]	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			6.40160e+01
Coefficient B			1.26442e+00
Coefficient C			-7.77200e-04
Coefficient D			1.53100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	354.39	J/mol×K	273.00	Calculated Property
Cp,gas	420.85	J/mol×K	353.78	Calculated Property
Cp,gas	479.27	J/mol×K	434.56	Calculated Property
Cp,gas	530.17	J/mol×K	515.33	Calculated Property
Cp,gas	574.00	J/mol×K	596.11	Calculated Property
Cp,gas	611.27	J/mol×K	676.89	Calculated Property
Cp,gas	642.46	J/mol×K	757.67	Calculated Property
Cp,gas	668.04	J/mol×K	838.44	Calculated Property
Cp,gas	688.50	J/mol×K	919.22	Calculated Property
Cp,gas	704.34	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-[2-(2-Methoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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