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

InChI

InChI=1S/C30H52F6O16/c31-29(32,33)27(37)51-25-23-49-21-19-47-17-15-45-13-11-43-9-7-41-5-3-39-1-2-40-4-6-42-8-10-44-12-14-46-16-18-48-20-22-50-24-26-52-28(38)30(34,35)36/h1-26H2

InChI Key

ZOCSRTXRPXXQQH-UHFFFAOYSA-N

Formula

C30H52F6O16

SMILES

O=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(F)(F)F)C(F)(F)F

Molecular Weight¹

782.72

Other Names

• Tridecaethylene glycol, bis(trifluoroacetate)
• 41,41,41-Trifluoro-40-oxo-3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxahentetracont-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	-3862.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	96.94	kJ/mol	Joback Calculated Property
ΔvapH°	142.74	kJ/mol	Relay (1.0) Calculated Property
IE	10.70	eV	Relay (1.0) Calculated Property
logPoct/wat	1.397		Crippen Calculated Property
McVol	529.500	ml/mol	McGowan Calculated Property
Inp	[3683.40; 3683.40]
Inp	3683.40		NIST
Inp	3683.40		NIST
Tboil	803.65	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	[943.08; 1890.76]	J/mol×K	[1296.58; 1974.31]
Cp,gas	1890.76	J/mol×K	1296.58	Joback Calculated Property
Cp,gas	1840.33	J/mol×K	1409.53	Joback Calculated Property
Cp,gas	1749.92	J/mol×K	1522.49	Joback Calculated Property
Cp,gas	1617.25	J/mol×K	1635.44	Joback Calculated Property
Cp,gas	1440.07	J/mol×K	1748.40	Joback Calculated Property
Cp,gas	1216.10	J/mol×K	1861.35	Joback Calculated Property
Cp,gas	943.08	J/mol×K	1974.31	Joback Calculated Property

Similar Compounds

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