Chemical Properties of 2-[2-[2-(2,2,3,3,3-Pentafluoropropanoyl)oxyethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate

InChI

InChI=1S/C12H12F10O6/c13-9(14,11(17,18)19)7(23)27-5-3-25-1-2-26-4-6-28-8(24)10(15,16)12(20,21)22/h1-6H2

InChI Key

FFMBKAQEBJRQCN-UHFFFAOYSA-N

Formula

C12H12F10O6

SMILES

O=C(OCCOCCOCCOC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F

Molecular Weight¹

442.20

Other Names

• 11,11,12,12,12-Pentafluoro-10-oxo-3,6,9-trioxadodec-1-yl pentafluoropropionate
• Triethylene glycol, bis(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).
• 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	-3143.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.09	kJ/mol	Joback Calculated Property
ΔvapH°	77.91	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.501		Crippen Calculated Property
McVol	224.260	ml/mol	McGowan Calculated Property
Inp	[1258.80; 1258.80]
Inp	1258.80		NIST
Inp	1258.80		NIST
Tboil	497.92	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, 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	[399.68; 768.22]	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			5.68160e+01
Coefficient B			1.52900e+00
Coefficient C			-1.06900e-03
Coefficient D			2.51400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	399.68	J/mol×K	273.00	Calculated Property
Cp,gas	475.08	J/mol×K	353.78	Calculated Property
Cp,gas	540.01	J/mol×K	434.56	Calculated Property
Cp,gas	595.27	J/mol×K	515.33	Calculated Property
Cp,gas	641.66	J/mol×K	596.11	Calculated Property
Cp,gas	679.95	J/mol×K	676.89	Calculated Property
Cp,gas	710.96	J/mol×K	757.67	Calculated Property
Cp,gas	735.48	J/mol×K	838.44	Calculated Property
Cp,gas	754.30	J/mol×K	919.22	Calculated Property
Cp,gas	768.22	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-[2-[2-(2,2,3,3,3-Pentafluoropropanoyl)oxyethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate.

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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