Chemical Properties of Sarcosine, N-(4-trifluoromethylbenzoyl)-, heptadecyl ester

InChI

InChI=1S/C28H44F3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-35-26(33)23-32(2)27(34)24-18-20-25(21-19-24)28(29,30)31/h18-21H,3-17,22-23H2,1-2H3

InChI Key

WGISACAPDJQNGU-UHFFFAOYSA-N

Formula

C28H44F3NO3

SMILES

CCCCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)c1ccc(C(F)(F)F)cc1

Molecular Weight¹

499.66

• 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	[1404.15; 1501.32]	J/mol×K	[1008.88; 1244.45]
Cp,gas	1404.15	J/mol×K	1008.88	Joback Calculated Property
Cp,gas	1423.49	J/mol×K	1048.14	Joback Calculated Property
Cp,gas	1441.39	J/mol×K	1087.40	Joback Calculated Property
Cp,gas	1457.98	J/mol×K	1126.66	Joback Calculated Property
Cp,gas	1473.41	J/mol×K	1165.92	Joback Calculated Property
Cp,gas	1487.81	J/mol×K	1205.18	Joback Calculated Property
Cp,gas	1501.32	J/mol×K	1244.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(4-trifluoromethylbenzoyl)-, heptadecyl ester.

Sources

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

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