Chemical Properties of 2-Hydroxyethyl 2,2,3,3,4,4,4-heptafluorobutanoate

InChI

InChI=1S/C6H5F7O3/c7-4(8,3(15)16-2-1-14)5(9,10)6(11,12)13/h14H,1-2H2

InChI Key

YXNNHFIKNIKAAE-UHFFFAOYSA-N

Formula

C6H5F7O3

SMILES

O=C(OCCO)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

258.09

Other Names

• 2-Hydroxyethyl 2,2,3,3,4,4,4-heptafluoroabutanoate
• Ethylene glycol, mono(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°	19.07	kJ/mol	Joback Calculated Property
logPoct/wat	1.355		Crippen Calculated Property
McVol	121.100	ml/mol	McGowan Calculated Property
Inp	[829.10; 829.10]
Inp	829.10		NIST
Inp	829.10		NIST
Tboil	420.27	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	[214.61; 409.55]	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			-2.64800e+00
Coefficient B			1.01300e+00
Coefficient C			-8.68600e-04
Coefficient D			2.67800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	214.61	J/mol×K	273.00	Calculated Property
Cp,gas	258.87	J/mol×K	353.78	Calculated Property
Cp,gas	295.51	J/mol×K	434.56	Calculated Property
Cp,gas	325.36	J/mol×K	515.33	Calculated Property
Cp,gas	349.28	J/mol×K	596.11	Calculated Property
Cp,gas	368.12	J/mol×K	676.89	Calculated Property
Cp,gas	382.72	J/mol×K	757.67	Calculated Property
Cp,gas	393.93	J/mol×K	838.44	Calculated Property
Cp,gas	402.59	J/mol×K	919.22	Calculated Property
Cp,gas	409.55	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxyethyl 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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