Chemical Properties of Glutaric acid, 3-fluorophenyl isohexyl ester

InChI

InChI=1S/C17H23FO4/c1-13(2)6-5-11-21-16(19)9-4-10-17(20)22-15-8-3-7-14(18)12-15/h3,7-8,12-13H,4-6,9-11H2,1-2H3

InChI Key

SFIZVCYUJSDDLN-UHFFFAOYSA-N

Formula

C17H23FO4

SMILES

CC(C)CCCOC(=O)CCCC(=O)Oc1cccc(F)c1

Molecular Weight¹

310.36

• 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

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[712.53; 788.46]	J/mol×K	[771.43; 968.49]
Cp,gas	712.53	J/mol×K	771.43	Joback Calculated Property
Cp,gas	727.61	J/mol×K	804.27	Joback Calculated Property
Cp,gas	741.70	J/mol×K	837.12	Joback Calculated Property
Cp,gas	754.82	J/mol×K	869.96	Joback Calculated Property
Cp,gas	766.97	J/mol×K	902.80	Joback Calculated Property
Cp,gas	778.18	J/mol×K	935.65	Joback Calculated Property
Cp,gas	788.46	J/mol×K	968.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-fluorophenyl isohexyl 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

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