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

InChI

InChI=1S/C19H31F7O9/c1-28-2-3-29-4-5-30-6-7-31-8-9-32-10-11-33-12-13-34-14-15-35-16(27)17(20,21)18(22,23)19(24,25)26/h2-15H2,1H3

InChI Key

COVYDVQFJAZXSA-UHFFFAOYSA-N

Formula

C19H31F7O9

SMILES

COCCOCCOCCOCCOCCOCCOCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

536.43

Other Names

• Heptaethylene glycol monomethyl ether, heptafluorobutyrate
• 3,6,9,12,15,18,21-Heptaoxadocos-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	-2995.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.97	kJ/mol	Joback Calculated Property
ΔvapH°	100.93	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.109		Crippen Calculated Property
McVol	339.490	ml/mol	McGowan Calculated Property
Inp	[2261.00; 2261.00]
Inp	2261.00		NIST
Inp	2261.00		NIST
Tboil	641.23	K	Relay (1.0) Calculated Property
Tc	731.98	K	Relay (1.0) Calculated Property
Tfus	206.37	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	[585.72; 1191.06]	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			1.58744e+02
Coefficient B			1.77162e+00
Coefficient C			-7.68400e-04
Coefficient D			2.91000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	585.72	J/mol×K	273.00	Calculated Property
Cp,gas	690.62	J/mol×K	353.78	Calculated Property
Cp,gas	785.90	J/mol×K	434.56	Calculated Property
Cp,gas	871.64	J/mol×K	515.33	Calculated Property
Cp,gas	947.94	J/mol×K	596.11	Calculated Property
Cp,gas	1014.89	J/mol×K	676.89	Calculated Property
Cp,gas	1072.59	J/mol×K	757.67	Calculated Property
Cp,gas	1121.12	J/mol×K	838.44	Calculated Property
Cp,gas	1160.58	J/mol×K	919.22	Calculated Property
Cp,gas	1191.06	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-[2-[2-[2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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