Chemical Properties of Glutaric acid, 3,3,4,4-tetrafluoropropyl hept-4-yl ester

InChI

InChI=1S/C15H24F4O4/c1-3-6-11(7-4-2)23-13(21)9-5-8-12(20)22-10-15(18,19)14(16)17/h11,14H,3-10H2,1-2H3

InChI Key

LFJNBSKPMYDAGJ-UHFFFAOYSA-N

Formula

C15H24F4O4

SMILES

CCCC(CCC)OC(=O)CCCC(=O)OCC(F)(F)C(F)F

Molecular Weight¹

344.34

• 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_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
ΔfusH°	41.20	kJ/mol	Joback Calculated Property
ΔvapH°	81.79	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.112		Crippen Calculated Property
McVol	244.170	ml/mol	McGowan Calculated Property
Inp	[1617.00; 1617.00]
Inp	1617.00		NIST
Inp	1617.00		NIST
Tboil	547.94	K	Relay (1.0) Calculated Property
Tc	697.81	K	Relay (1.0) Calculated Property
Tfus	264.78	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[697.95; 778.58]	J/mol×K	[652.21; 813.56]
Cp,gas	697.95	J/mol×K	652.21	Joback Calculated Property
Cp,gas	713.32	J/mol×K	679.10	Joback Calculated Property
Cp,gas	727.89	J/mol×K	705.99	Joback Calculated Property
Cp,gas	741.68	J/mol×K	732.88	Joback Calculated Property
Cp,gas	754.72	J/mol×K	759.77	Joback Calculated Property
Cp,gas	767.01	J/mol×K	786.67	Joback Calculated Property
Cp,gas	778.58	J/mol×K	813.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3,3,4,4-tetrafluoropropyl hept-4-yl 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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