Chemical Properties of l-Methionine, n-pentafluoropropionyl-, hexadecyl ester

InChI

InChI=1S/C24H42F5NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-33-21(31)20(17-19-34-2)30-22(32)23(25,26)24(27,28)29/h20H,3-19H2,1-2H3,(H,30,32)

InChI Key

UGPZSFRLBSETOP-UHFFFAOYSA-N

Formula

C24H42F5NO3S

SMILES

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

Molecular Weight¹

519.65

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	68.58	kJ/mol	Joback Calculated Property
logPoct/wat	7.446		Crippen Calculated Property
McVol	393.210	ml/mol	McGowan Calculated Property
Inp	[2783.00; 2783.00]
Inp	2783.00		NIST
Inp	2783.00		NIST
Tboil	650.91	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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	[1350.10; 1440.76]	J/mol×K	[987.08; 1219.64]
Cp,gas	1350.10	J/mol×K	987.08	Joback Calculated Property
Cp,gas	1368.37	J/mol×K	1025.84	Joback Calculated Property
Cp,gas	1385.21	J/mol×K	1064.60	Joback Calculated Property
Cp,gas	1400.74	J/mol×K	1103.36	Joback Calculated Property
Cp,gas	1415.10	J/mol×K	1142.12	Joback Calculated Property
Cp,gas	1428.39	J/mol×K	1180.88	Joback Calculated Property
Cp,gas	1440.76	J/mol×K	1219.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Methionine, n-pentafluoropropionyl-, hexadecyl 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

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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