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

InChI

InChI=1S/C27H47F7O13/c1-36-2-3-37-4-5-38-6-7-39-8-9-40-10-11-41-12-13-42-14-15-43-16-17-44-18-19-45-20-21-46-22-23-47-24(35)25(28,29)26(30,31)27(32,33)34/h2-23H2,1H3

InChI Key

NOLNPPXAZCUTMD-UHFFFAOYSA-N

Formula

C27H47F7O13

SMILES

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

712.64

Other Names

• Undecaethylene glycol monomethyl ether, heptafluorobutyrate
• 3,6,9,12,15,18,21,24,27,30,33-Undecaoxatetratriacont-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	-3634.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	82.44	kJ/mol	Joback Calculated Property
ΔvapH°	128.57	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.175		Crippen Calculated Property
McVol	475.690	ml/mol	McGowan Calculated Property
Inp	[3276.30; 3276.30]
Inp	3276.30		NIST
Inp	3276.30		NIST
Tboil	760.67	K	Relay (1.0) Calculated Property
Tc	821.29	K	Relay (1.0) Calculated Property
Tfus	186.25	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	[817.05; 1677.79]	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			2.53472e+02
Coefficient B			2.27882e+00
Coefficient C			-7.59600e-04
Coefficient D			-9.49000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	817.05	J/mol×K	273.00	Calculated Property
Cp,gas	960.40	J/mol×K	353.78	Calculated Property
Cp,gas	1092.52	J/mol×K	434.56	Calculated Property
Cp,gas	1213.11	J/mol×K	515.33	Calculated Property
Cp,gas	1321.88	J/mol×K	596.11	Calculated Property
Cp,gas	1418.52	J/mol×K	676.89	Calculated Property
Cp,gas	1502.73	J/mol×K	757.67	Calculated Property
Cp,gas	1574.21	J/mol×K	838.44	Calculated Property
Cp,gas	1632.66	J/mol×K	919.22	Calculated Property
Cp,gas	1677.79	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

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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