Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-octyl ester

InChI

InChI=1S/C16H27F3O4/c1-4-5-6-7-9-12(2)22-14(20)10-8-11-15(21)23-13(3)16(17,18)19/h12-13H,4-11H2,1-3H3

InChI Key

VRNHYFRBKGVSQQ-UHFFFAOYSA-N

Formula

C16H27F3O4

SMILES

CCCCCCC(C)OC(=O)CCCC(=O)OC(C)C(F)(F)F

Molecular Weight¹

340.38

• 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	-1655.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.71	kJ/mol	Joback Calculated Property
ΔvapH°	79.91	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.553		Crippen Calculated Property
McVol	256.490	ml/mol	McGowan Calculated Property
Inp	[1686.00; 1686.00]
Inp	1686.00		NIST
Inp	1686.00		NIST
Tboil	539.36	K	Relay (1.0) Calculated Property
Tc	690.44	K	Relay (1.0) Calculated Property
Tfus	264.89	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	[745.32; 830.04]	J/mol×K	[675.82; 842.24]
Cp,gas	745.32	J/mol×K	675.82	Joback Calculated Property
Cp,gas	761.54	J/mol×K	703.56	Joback Calculated Property
Cp,gas	776.89	J/mol×K	731.29	Joback Calculated Property
Cp,gas	791.39	J/mol×K	759.03	Joback Calculated Property
Cp,gas	805.08	J/mol×K	786.77	Joback Calculated Property
Cp,gas	817.95	J/mol×K	814.50	Joback Calculated Property
Cp,gas	830.04	J/mol×K	842.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl 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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