Chemical Properties of 2,3,4-Trifluorobenzoic acid, tridec-2-ynyl ester

InChI

InChI=1S/C20H25F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-25-20(24)16-13-14-17(21)19(23)18(16)22/h13-14H,2-10,15H2,1H3

InChI Key

NJALBNFKWCOINX-UHFFFAOYSA-N

Formula

C20H25F3O2

SMILES

CCCCCCCCCCC#CCOC(=O)c1ccc(F)c(F)c1F

Molecular Weight¹

354.41

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[404.19; 891.70]	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			5.49400e+01
Coefficient B			1.47722e+00
Coefficient C			-7.56740e-04
Coefficient D			1.16280e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	404.19	J/mol×K	273.00	Calculated Property
Cp,gas	487.98	J/mol×K	353.78	Calculated Property
Cp,gas	563.51	J/mol×K	434.56	Calculated Property
Cp,gas	631.15	J/mol×K	515.33	Calculated Property
Cp,gas	691.25	J/mol×K	596.11	Calculated Property
Cp,gas	744.19	J/mol×K	676.89	Calculated Property
Cp,gas	790.34	J/mol×K	757.67	Calculated Property
Cp,gas	830.06	J/mol×K	838.44	Calculated Property
Cp,gas	863.73	J/mol×K	919.22	Calculated Property
Cp,gas	891.70	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,3,4-Trifluorobenzoic acid, tridec-2-ynyl ester.

Sources

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

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