Chemical Properties of Acetic acid, trifluoro-, 4-methylphenyl ester

InChI

InChI=1S/C9H7F3O2/c1-6-2-4-7(5-3-6)14-8(13)9(10,11)12/h2-5H,1H3

InChI Key

HGHGGPKMLBWNBI-UHFFFAOYSA-N

Formula

C9H7F3O2

SMILES

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

Molecular Weight¹

204.15

Other Names

• Acetic acid, trifluoro-, p-tolyl ester
• p-Tolyl trifluoroacetate
• 4-Methylphenyl trifluoroacetate
• 4-Methylphenyl ester of trifluoroacetic acid
• Trifluoroacetic acid, 4-tolyl ester

• 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 a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor 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 Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[181.17; 392.87]	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			-5.69000e+00
Coefficient B			8.26820e-01
Coefficient C			-5.56360e-04
Coefficient D			1.28100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	181.17	J/mol×K	273.00	Calculated Property
Cp,gas	222.86	J/mol×K	353.78	Calculated Property
Cp,gas	259.06	J/mol×K	434.56	Calculated Property
Cp,gas	290.18	J/mol×K	515.33	Calculated Property
Cp,gas	316.62	J/mol×K	596.11	Calculated Property
Cp,gas	338.79	J/mol×K	676.89	Calculated Property
Cp,gas	357.10	J/mol×K	757.67	Calculated Property
Cp,gas	371.94	J/mol×K	838.44	Calculated Property
Cp,gas	383.73	J/mol×K	919.22	Calculated Property
Cp,gas	392.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[6.90; 98.49]	kPa	[365.60; 441.50]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.56776e+01
Coefficient B			-4.35189e+03
Coefficient C			-4.90000e+01
Reference			Sheehan and Langer, 1969
Temperature range, min.			365.60
Temperature range, max.			441.50
Pvap	6.90	kPa	365.60	Calculated Property
Pvap	9.86	kPa	374.03	Calculated Property
Pvap	13.83	kPa	382.47	Calculated Property
Pvap	19.09	kPa	390.90	Calculated Property
Pvap	25.93	kPa	399.33	Calculated Property
Pvap	34.73	kPa	407.77	Calculated Property
Pvap	45.88	kPa	416.20	Calculated Property
Pvap	59.87	kPa	424.63	Calculated Property
Pvap	77.21	kPa	433.07	Calculated Property
Pvap	98.49	kPa	441.50	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, trifluoro-, 4-methylphenyl 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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