Chemical Properties of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,2,2-Trifluoroacetyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate

InChI

InChI=1S/C24H40F6O13/c25-23(26,27)21(31)42-19-17-40-15-13-38-11-9-36-7-5-34-3-1-33-2-4-35-6-8-37-10-12-39-14-16-41-18-20-43-22(32)24(28,29)30/h1-20H2

InChI Key

FQNGKEIYOVGRJO-UHFFFAOYSA-N

Formula

C24H40F6O13

SMILES

O=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(F)(F)F)C(F)(F)F

Molecular Weight¹

650.56

Other Names

• Decaethylene glycol, bis(trifluoroacetate)
• 32,32,32-Trifluoro-31-oxo-3,6,9,12,15,18,21,24,27,30-decaoxadotriacont-1-yl trifluoroacetate

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

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-3382.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	81.00	kJ/mol	Joback Calculated Property
ΔvapH°	122.70	kJ/mol	Relay (1.0) Calculated Property
IE	10.65	eV	Relay (1.0) Calculated Property
logPoct/wat	1.347		Crippen Calculated Property
McVol	427.350	ml/mol	McGowan Calculated Property
Inp	[2923.70; 2923.70]
Inp	2923.70		NIST
Inp	2923.70		NIST
Tboil	722.06	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[732.20; 1485.59]	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			2.48990e+02
Coefficient B			1.92780e+00
Coefficient C			-5.35600e-04
Coefficient D			-1.55600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	732.20	J/mol×K	273.00	Calculated Property
Cp,gas	857.08	J/mol×K	353.78	Calculated Property
Cp,gas	972.82	J/mol×K	434.56	Calculated Property
Cp,gas	1078.92	J/mol×K	515.33	Calculated Property
Cp,gas	1174.89	J/mol×K	596.11	Calculated Property
Cp,gas	1260.24	J/mol×K	676.89	Calculated Property
Cp,gas	1334.48	J/mol×K	757.67	Calculated Property
Cp,gas	1397.11	J/mol×K	838.44	Calculated Property
Cp,gas	1447.64	J/mol×K	919.22	Calculated Property
Cp,gas	1485.59	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,2,2-Trifluoroacetyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate.

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.
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