Chemical Properties of Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-octyl ester

InChI

InChI=1S/C18H26F8O4/c1-3-5-6-8-12(4-2)30-14(28)10-7-9-13(27)29-11-16(21,22)18(25,26)17(23,24)15(19)20/h12,15H,3-11H2,1-2H3

InChI Key

KNLMJSVRMIPBJF-UHFFFAOYSA-N

Formula

C18H26F8O4

SMILES

CCCCCC(CC)OC(=O)CCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

458.38

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	46.47	kJ/mol	Joback Calculated Property
ΔvapH°	89.88	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	5.773		Crippen Calculated Property
McVol	293.520	ml/mol	McGowan Calculated Property
Inp	[1781.00; 1781.00]
Inp	1781.00		NIST
Inp	1781.00		NIST
Tc	709.36	K	Relay (1.0) Calculated Property
Tfus	276.69	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[901.78; 982.23]	J/mol×K	[711.47; 873.33]
Cp,gas	901.78	J/mol×K	711.47	Joback Calculated Property
Cp,gas	917.41	J/mol×K	738.45	Joback Calculated Property
Cp,gas	932.09	J/mol×K	765.42	Joback Calculated Property
Cp,gas	945.88	J/mol×K	792.40	Joback Calculated Property
Cp,gas	958.80	J/mol×K	819.38	Joback Calculated Property
Cp,gas	970.91	J/mol×K	846.35	Joback Calculated Property
Cp,gas	982.23	J/mol×K	873.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-octyl ester.

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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