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

InChI

InChI=1S/C18H26F8O4/c1-3-4-5-6-8-12(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

SRMPZHILUZLGOJ-UHFFFAOYSA-N

Formula

C18H26F8O4

SMILES

CCCCCCC(C)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_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).
• 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
ΔfH°gas	-2607.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.47	kJ/mol	Joback Calculated Property
ΔvapH°	90.09	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	5.773		Crippen Calculated Property
McVol	293.520	ml/mol	McGowan Calculated Property
Inp	[1837.00; 1837.00]
Inp	1837.00		NIST
Inp	1837.00		NIST
Tboil	575.36	K	Relay (1.0) Calculated Property
Tc	708.97	K	Relay (1.0) Calculated Property
Tfus	286.01	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

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 2-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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