Chemical Properties of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,2,3,3,4,4,4-Heptafluorobutanoyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate

InChI

InChI=1S/C28H40F14O13/c29-23(30,25(33,34)27(37,38)39)21(43)54-19-17-52-15-13-50-11-9-48-7-5-46-3-1-45-2-4-47-6-8-49-10-12-51-14-16-53-18-20-55-22(44)24(31,32)26(35,36)28(40,41)42/h1-20H2

InChI Key

PNEDRSIKDRJZIH-UHFFFAOYSA-N

Formula

C28H40F14O13

SMILES

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

Molecular Weight¹

850.59

Other Names

• 32,32,33,33,34,34,34-Heptafluoro-31-oxo-3,6,9,12,15,18,21,24,27,30-decaoxatetratriacont-1-yl heptafluorobutyrate
• Decaethylene glycol, bis(heptafluorobutyrate)

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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
ΔfusH°	86.34	kJ/mol	Joback Calculated Property
logPoct/wat	3.888		Crippen Calculated Property
McVol	497.870	ml/mol	McGowan Calculated Property
Inp	[2924.10; 2924.10]
Inp	2924.10		NIST
Inp	2924.10		NIST
Tboil	747.69	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[876.80; 1754.39]	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			1.96190e+02
Coefficient B			2.90540e+00
Coefficient C			-1.57160e-03
Coefficient D			2.24400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	876.80	J/mol×K	273.00	Calculated Property
Cp,gas	1037.29	J/mol×K	353.78	Calculated Property
Cp,gas	1180.38	J/mol×K	434.56	Calculated Property
Cp,gas	1306.78	J/mol×K	515.33	Calculated Property
Cp,gas	1417.20	J/mol×K	596.11	Calculated Property
Cp,gas	1512.34	J/mol×K	676.89	Calculated Property
Cp,gas	1592.93	J/mol×K	757.67	Calculated Property
Cp,gas	1659.65	J/mol×K	838.44	Calculated Property
Cp,gas	1713.24	J/mol×K	919.22	Calculated Property
Cp,gas	1754.39	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,2,3,3,4,4,4-Heptafluorobutanoyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate.

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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