Chemical Properties of 4-(Trifluoromethyl)phenylacetic acid

InChI

InChI=1S/C9H7F3O2/c10-9(11,12)7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H,13,14)

InChI Key

HNORVZDAANCHAY-UHFFFAOYSA-N

Formula

C9H7F3O2

SMILES

O=C(O)Cc1ccc(C(F)(F)F)cc1

Molecular Weight¹

204.15

Other Names

• (.ALPHA.,.alpha.,.alpha.-trifluoro-p-tolyl)-acetic acid
• («alpha»,«alpha»,«alpha»-trifluoro-4-tolyl)acetic acid
• 4-Trifluoromethylphenylacetic acid
• Benzeneacetic acid, 4-(trifluoromethyl)-
• p-Trifluoromethylphenylacetic acid

• 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).
• IE : Ionization energy (eV).
• 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).
• 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

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[178.46; 395.54]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.64990e+01
Coefficient B			9.32400e-01
Coefficient C			-7.23560e-04
Coefficient D			2.13200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	178.46	J/mol×K	273.00	Calculated Property
Cp,gas	222.24	J/mol×K	353.78	Calculated Property
Cp,gas	259.54	J/mol×K	434.56	Calculated Property
Cp,gas	291.02	J/mol×K	515.33	Calculated Property
Cp,gas	317.36	J/mol×K	596.11	Calculated Property
Cp,gas	339.23	J/mol×K	676.89	Calculated Property
Cp,gas	357.31	J/mol×K	757.67	Calculated Property
Cp,gas	372.28	J/mol×K	838.44	Calculated Property
Cp,gas	384.79	J/mol×K	919.22	Calculated Property
Cp,gas	395.54	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-(Trifluoromethyl)phenylacetic acid.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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