Chemical Properties of Phthalic acid, isobutyl 2-trifluoromethylbenzyl ester

InChI

InChI=1S/C20H19F3O4/c1-13(2)11-26-18(24)15-8-4-5-9-16(15)19(25)27-12-14-7-3-6-10-17(14)20(21,22)23/h3-10,13H,11-12H2,1-2H3

InChI Key

YABJYYNOINOOCC-UHFFFAOYSA-N

Formula

C20H19F3O4

SMILES

CC(C)COC(=O)c1ccccc1C(=O)OCc1ccccc1C(F)(F)F

Molecular Weight¹

380.36

Other Names

• Phthalic acid, isobutyl 2-trifluorobenzyl ester

• 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	[803.98; 865.51]	J/mol×K	[867.04; 1083.12]
Cp,gas	803.98	J/mol×K	867.04	Joback Calculated Property
Cp,gas	816.95	J/mol×K	903.05	Joback Calculated Property
Cp,gas	828.77	J/mol×K	939.07	Joback Calculated Property
Cp,gas	839.48	J/mol×K	975.08	Joback Calculated Property
Cp,gas	849.14	J/mol×K	1011.10	Joback Calculated Property
Cp,gas	857.80	J/mol×K	1047.11	Joback Calculated Property
Cp,gas	865.51	J/mol×K	1083.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, isobutyl 2-trifluoromethylbenzyl ester.

Sources

• Cheméo Relay (1.0)
• 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.