Chemical Properties of trans-(3-Trifluoromethyl)cinnamin acid, undecyl ester

InChI

InChI=1S/C21H29F3O2/c1-2-3-4-5-6-7-8-9-10-16-26-20(25)15-14-18-12-11-13-19(17-18)21(22,23)24/h11-15,17H,2-10,16H2,1H3/b15-14+

InChI Key

LKWXCSBKAVHDCK-CCEZHUSRSA-N

Formula

C21H29F3O2

SMILES

CCCCCCCCCCCOC(=O)C=Cc1cccc(C(F)(F)F)c1

Molecular Weight¹

370.45

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[421.74; 981.38]	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			-3.07800e+01
Coefficient B			1.98682e+00
Coefficient C			-1.29296e-03
Coefficient D			3.18300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	421.74	J/mol×K	273.00	Calculated Property
Cp,gas	524.38	J/mol×K	353.78	Calculated Property
Cp,gas	614.56	J/mol×K	434.56	Calculated Property
Cp,gas	693.29	J/mol×K	515.33	Calculated Property
Cp,gas	761.56	J/mol×K	596.11	Calculated Property
Cp,gas	820.39	J/mol×K	676.89	Calculated Property
Cp,gas	870.78	J/mol×K	757.67	Calculated Property
Cp,gas	913.73	J/mol×K	838.44	Calculated Property
Cp,gas	950.27	J/mol×K	919.22	Calculated Property
Cp,gas	981.38	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to trans-(3-Trifluoromethyl)cinnamin acid, undecyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.