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 2,2,3,3,3-pentafluoropropanoate

InChI

InChI=1S/C26H47F5O13/c1-33-2-3-34-4-5-35-6-7-36-8-9-37-10-11-38-12-13-39-14-15-40-16-17-41-18-19-42-20-21-43-22-23-44-24(32)25(27,28)26(29,30)31/h2-23H2,1H3

InChI Key

IPUQPUUBZMLNAC-UHFFFAOYSA-N

Formula

C26H47F5O13

SMILES

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

Molecular Weight¹

662.64

Other Names

• Undecaethylene glycol monomethyl ether, pentafluoropropionate
• 3,6,9,12,15,18,21,24,27,30,33-Undecaoxatetratriacont-1-yl pentafluoropropionate

• 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).
• 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
ΔfH°gas	-3230.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	81.11	kJ/mol	Joback Calculated Property
ΔvapH°	126.03	kJ/mol	Relay (1.0) Calculated Property
IE	10.36	eV	Relay (1.0) Calculated Property
log10WS	-1.96		Relay (1.0) Calculated Property
logPoct/wat	1.540		Crippen Calculated Property
McVol	458.060	ml/mol	McGowan Calculated Property
Pc	599.85	kPa	Joback Calculated Property
Inp	[3260.80; 3260.80]
Inp	3260.80		NIST
Inp	3260.80		NIST
Tboil	751.59	K	Relay (1.0) Calculated Property
Tc	822.41	K	Relay (1.0) Calculated Property
Tfus	196.74	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[780.90; 1610.59]	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			2.66672e+02
Coefficient B			2.03442e+00
Coefficient C			-5.00600e-04
Coefficient D			-1.89900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	780.90	J/mol×K	273.00	Calculated Property
Cp,gas	915.34	J/mol×K	353.78	Calculated Property
Cp,gas	1040.62	J/mol×K	434.56	Calculated Property
Cp,gas	1156.14	J/mol×K	515.33	Calculated Property
Cp,gas	1261.30	J/mol×K	596.11	Calculated Property
Cp,gas	1355.49	J/mol×K	676.89	Calculated Property
Cp,gas	1438.11	J/mol×K	757.67	Calculated Property
Cp,gas	1508.57	J/mol×K	838.44	Calculated Property
Cp,gas	1566.27	J/mol×K	919.22	Calculated Property
Cp,gas	1610.59	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 2,2,3,3,3-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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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