Chemical Properties of .beta.-Alanine, N-(3-trifluoromethylbenzoyl)-, hexadecyl ester

InChI

InChI=1S/C27H42F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-34-25(32)19-20-31-26(33)23-17-16-18-24(22-23)27(28,29)30/h16-18,22H,2-15,19-21H2,1H3,(H,31,33)

InChI Key

VRPAJFDLSKFMNL-UHFFFAOYSA-N

Formula

C27H42F3NO3

SMILES

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

Molecular Weight¹

485.63

• 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).
• 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	[1358.38; 1448.09]	J/mol×K	[1023.73; 1262.40]
Cp,gas	1358.38	J/mol×K	1023.73	Joback Calculated Property
Cp,gas	1376.51	J/mol×K	1063.51	Joback Calculated Property
Cp,gas	1393.19	J/mol×K	1103.29	Joback Calculated Property
Cp,gas	1408.57	J/mol×K	1143.07	Joback Calculated Property
Cp,gas	1422.76	J/mol×K	1182.84	Joback Calculated Property
Cp,gas	1435.89	J/mol×K	1222.62	Joback Calculated Property
Cp,gas	1448.09	J/mol×K	1262.40	Joback Calculated Property

Similar Compounds

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

Sources

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

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