Chemical Properties of Glutaric acid, pentyl 1-phenyl-2,2,2-trifluoroethyl ester

InChI

InChI=1S/C18H23F3O4/c1-2-3-7-13-24-15(22)11-8-12-16(23)25-17(18(19,20)21)14-9-5-4-6-10-14/h4-6,9-10,17H,2-3,7-8,11-13H2,1H3

InChI Key

METURVVGIMGXJR-UHFFFAOYSA-N

Formula

C18H23F3O4

SMILES

CCCCCOC(=O)CCCC(=O)OC(c1ccccc1)C(F)(F)F

Molecular Weight¹

360.37

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[786.85; 860.77]	J/mol×K	[784.64; 976.37]
Cp,gas	786.85	J/mol×K	784.64	Joback Calculated Property
Cp,gas	801.54	J/mol×K	816.60	Joback Calculated Property
Cp,gas	815.23	J/mol×K	848.55	Joback Calculated Property
Cp,gas	827.96	J/mol×K	880.51	Joback Calculated Property
Cp,gas	839.77	J/mol×K	912.46	Joback Calculated Property
Cp,gas	850.70	J/mol×K	944.42	Joback Calculated Property
Cp,gas	860.77	J/mol×K	976.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, pentyl 1-phenyl-2,2,2-trifluoroethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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