Chemical Properties of «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, propyl ester

InChI

InChI=1S/C14H16F3NO3/c1-2-8-21-12(19)6-7-18-13(20)10-4-3-5-11(9-10)14(15,16)17/h3-5,9H,2,6-8H2,1H3,(H,18,20)

InChI Key

VDZVFBGKQYVOPY-UHFFFAOYSA-N

Formula

C14H16F3NO3

SMILES

CCCOC(=O)CCNC(=O)c1cccc(C(F)(F)F)c1

Molecular Weight¹

303.28

• 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_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, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[593.07; 657.52]	J/mol×K	[726.29; 921.44]
Cp,gas	593.07	J/mol×K	726.29	Joback Calculated Property
Cp,gas	605.84	J/mol×K	758.82	Joback Calculated Property
Cp,gas	617.75	J/mol×K	791.34	Joback Calculated Property
Cp,gas	628.84	J/mol×K	823.87	Joback Calculated Property
Cp,gas	639.14	J/mol×K	856.39	Joback Calculated Property
Cp,gas	648.68	J/mol×K	888.92	Joback Calculated Property
Cp,gas	657.52	J/mol×K	921.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, propyl ester.

Sources

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

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