Chemical Properties of Sarcosine, N-(2,3,4-trifluorobenzoyl)-, hexadecyl ester

InChI

InChI=1S/C26H40F3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-33-23(31)20-30(2)26(32)21-17-18-22(27)25(29)24(21)28/h17-18H,3-16,19-20H2,1-2H3

InChI Key

AJQWTFMBLRUJQG-UHFFFAOYSA-N

Formula

C26H40F3NO3

SMILES

CCCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)c1ccc(F)c(F)c1F

Molecular Weight¹

471.60

• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[564.80; 1289.42]	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			2.85960e+01
Coefficient B			2.29294e+00
Coefficient C			-1.26918e-03
Coefficient D			2.37060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	564.80	J/mol×K	273.00	Calculated Property
Cp,gas	691.43	J/mol×K	353.78	Calculated Property
Cp,gas	804.79	J/mol×K	434.56	Calculated Property
Cp,gas	905.61	J/mol×K	515.33	Calculated Property
Cp,gas	994.66	J/mol×K	596.11	Calculated Property
Cp,gas	1072.67	J/mol×K	676.89	Calculated Property
Cp,gas	1140.40	J/mol×K	757.67	Calculated Property
Cp,gas	1198.61	J/mol×K	838.44	Calculated Property
Cp,gas	1248.03	J/mol×K	919.22	Calculated Property
Cp,gas	1289.42	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(2,3,4-trifluorobenzoyl)-, hexadecyl 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.
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