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

InChI

InChI=1S/C22H36F6O12/c23-21(24,25)19(29)39-17-15-37-13-11-35-9-7-33-5-3-31-1-2-32-4-6-34-8-10-36-12-14-38-16-18-40-20(30)22(26,27)28/h1-18H2

InChI Key

TVYVLBOEKYNKNH-UHFFFAOYSA-N

Formula

C22H36F6O12

SMILES

O=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(F)(F)F)C(F)(F)F

Molecular Weight¹

606.50

Other Names

• Nonaethylene glycol, bis(trifluoroacetate)
• 29,29,29-Trifluoro-28-oxo-3,6,9,12,15,18,21,24,27-nonaoxanonacos-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	-3222.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	71.47	kJ/mol	Joback Calculated Property
ΔvapH°	115.88	kJ/mol	Relay (1.0) Calculated Property
IE	10.64	eV	Relay (1.0) Calculated Property
logPoct/wat	1.330		Crippen Calculated Property
McVol	393.300	ml/mol	McGowan Calculated Property
Inp	[2674.60; 2674.60]
Inp	2674.60		NIST
Inp	2674.60		NIST
Tboil	693.71	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1371.26; 1402.07]	J/mol×K	[1023.86; 1306.29]
Cp,gas	1371.26	J/mol×K	1023.86	Joback Calculated Property
Cp,gas	1385.11	J/mol×K	1070.93	Joback Calculated Property
Cp,gas	1394.92	J/mol×K	1118.00	Joback Calculated Property
Cp,gas	1400.60	J/mol×K	1165.08	Joback Calculated Property
Cp,gas	1402.07	J/mol×K	1212.15	Joback Calculated Property
Cp,gas	1399.25	J/mol×K	1259.22	Joback Calculated Property
Cp,gas	1392.04	J/mol×K	1306.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-[2-[2-[2-[2-[2-[2-[2-[2-(2,2,2-Trifluoroacetyl)oxyethoxy]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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