Chemical Properties of L-Phenylalanine, N-heptafluorobutyryl-, hexadecyl ester

InChI

InChI=1S/C29H42F7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-40-25(38)24(22-23-19-16-15-17-20-23)37-26(39)27(30,31)28(32,33)29(34,35)36/h15-17,19-20,24H,2-14,18,21-22H2,1H3,(H,37,39)

InChI Key

GPYLMDHCDSFFLE-UHFFFAOYSA-N

Formula

C29H42F7NO3

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(Cc1ccccc1)NC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

585.65

• 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).
• 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, 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	[1511.94; 1620.41]	J/mol×K	[1054.69; 1316.75]
Cp,gas	1511.94	J/mol×K	1054.69	Joback Calculated Property
Cp,gas	1531.98	J/mol×K	1098.37	Joback Calculated Property
Cp,gas	1550.86	J/mol×K	1142.04	Joback Calculated Property
Cp,gas	1568.87	J/mol×K	1185.72	Joback Calculated Property
Cp,gas	1586.29	J/mol×K	1229.40	Joback Calculated Property
Cp,gas	1603.37	J/mol×K	1273.07	Joback Calculated Property
Cp,gas	1620.41	J/mol×K	1316.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Phenylalanine, N-heptafluorobutyryl-, 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.