Chemical Properties of L-Leucine, N-heptafluorobutyryl-, octadecyl ester

InChI

InChI=1S/C28H48F7NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-39-24(37)23(21-22(2)3)36-25(38)26(29,30)27(31,32)28(33,34)35/h22-23H,4-21H2,1-3H3,(H,36,38)

InChI Key

CLFVCIUIGNNHON-UHFFFAOYSA-N

Formula

C28H48F7NO3

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CC(C)C)NC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

579.68

• 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).
• 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 Pressure, 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	[1554.90; 1676.16]	J/mol×K	[1004.69; 1266.27]
Cp,gas	1554.90	J/mol×K	1004.69	Joback Calculated Property
Cp,gas	1578.26	J/mol×K	1048.29	Joback Calculated Property
Cp,gas	1600.02	J/mol×K	1091.88	Joback Calculated Property
Cp,gas	1620.44	J/mol×K	1135.48	Joback Calculated Property
Cp,gas	1639.76	J/mol×K	1179.07	Joback Calculated Property
Cp,gas	1658.25	J/mol×K	1222.67	Joback Calculated Property
Cp,gas	1676.16	J/mol×K	1266.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Leucine, N-heptafluorobutyryl-, octadecyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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