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

InChI

InChI=1S/C20H28F3NO3/c1-2-3-4-5-6-7-8-14-27-18(25)12-13-24-19(26)16-10-9-11-17(15-16)20(21,22)23/h9-11,15H,2-8,12-14H2,1H3,(H,24,26)

InChI Key

AWBYTQJZYZZDCU-UHFFFAOYSA-N

Formula

C20H28F3NO3

SMILES

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

Molecular Weight¹

387.44

• 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).
• 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, 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	[930.66; 1005.47]	J/mol×K	[863.57; 1061.28]
Cp,gas	930.66	J/mol×K	863.57	Joback Calculated Property
Cp,gas	945.48	J/mol×K	896.52	Joback Calculated Property
Cp,gas	959.29	J/mol×K	929.47	Joback Calculated Property
Cp,gas	972.14	J/mol×K	962.43	Joback Calculated Property
Cp,gas	984.08	J/mol×K	995.38	Joback Calculated Property
Cp,gas	995.18	J/mol×K	1028.33	Joback Calculated Property
Cp,gas	1005.47	J/mol×K	1061.28	Joback Calculated Property

Similar Compounds

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

Sources

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

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