Chemical Properties of Acetic acid, (2,3,4,5-tetrafluorophenyl)methyl ester

InChI

InChI=1S/C9H6F4O2/c1-4(14)15-3-5-2-6(10)8(12)9(13)7(5)11/h2H,3H2,1H3

InChI Key

CFNOCQKFYCWUAD-UHFFFAOYSA-N

Formula

C9H6F4O2

SMILES

CC(=O)OCc1cc(F)c(F)c(F)c1F

Molecular Weight¹

222.14

• 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 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).
• 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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[198.48; 389.35]	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			6.77710e+01
Coefficient B			5.34320e-01
Coefficient C			-1.99840e-04
Coefficient D			-1.29000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	198.48	J/mol×K	273.00	Calculated Property
Cp,gas	231.22	J/mol×K	353.78	Calculated Property
Cp,gas	261.17	J/mol×K	434.56	Calculated Property
Cp,gas	288.29	J/mol×K	515.33	Calculated Property
Cp,gas	312.54	J/mol×K	596.11	Calculated Property
Cp,gas	333.88	J/mol×K	676.89	Calculated Property
Cp,gas	352.28	J/mol×K	757.67	Calculated Property
Cp,gas	367.68	J/mol×K	838.44	Calculated Property
Cp,gas	380.05	J/mol×K	919.22	Calculated Property
Cp,gas	389.35	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, (2,3,4,5-tetrafluorophenyl)methyl 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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