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

InChI

InChI=1S/C19H32F5NO3S/c1-3-4-5-6-7-8-9-10-11-13-28-16(26)15(12-14-29-2)25-17(27)18(20,21)19(22,23)24/h15H,3-14H2,1-2H3,(H,25,27)

InChI Key

YAXAGLAOAOOMCH-UHFFFAOYSA-N

Formula

C19H32F5NO3S

SMILES

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

Molecular Weight¹

449.52

• 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°	57.21	kJ/mol	Joback Calculated Property
logPoct/wat	5.496		Crippen Calculated Property
McVol	322.760	ml/mol	McGowan Calculated Property
Inp	[2279.00; 2279.00]
Inp	2279.00		NIST
Inp	2279.00		NIST
Tboil	608.89	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	[1037.62; 1114.69]	J/mol×K	[854.81; 1046.80]
Cp,gas	1037.62	J/mol×K	854.81	Joback Calculated Property
Cp,gas	1052.97	J/mol×K	886.81	Joback Calculated Property
Cp,gas	1067.24	J/mol×K	918.81	Joback Calculated Property
Cp,gas	1080.48	J/mol×K	950.81	Joback Calculated Property
Cp,gas	1092.77	J/mol×K	982.81	Joback Calculated Property
Cp,gas	1104.15	J/mol×K	1014.81	Joback Calculated Property
Cp,gas	1114.69	J/mol×K	1046.80	Joback Calculated Property

Similar Compounds

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