Chemical Properties of L-Methionine, N-heptafluorobutyryl-, undecyl ester

InChI

InChI=1S/C20H32F7NO3S/c1-3-4-5-6-7-8-9-10-11-13-31-16(29)15(12-14-32-2)28-17(30)18(21,22)19(23,24)20(25,26)27/h15H,3-14H2,1-2H3,(H,28,30)

InChI Key

NFPQZRCTTDPSBW-UHFFFAOYSA-N

Formula

C20H32F7NO3S

SMILES

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

Molecular Weight¹

499.53

• 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°	56.97	kJ/mol	Joback Calculated Property
logPoct/wat	6.131		Crippen Calculated Property
McVol	340.390	ml/mol	McGowan Calculated Property
Inp	[2279.00; 2279.00]
Inp	2279.00		NIST
Inp	2279.00		NIST
Tboil	618.89	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	[1119.10; 1197.34]	J/mol×K	[890.87; 1091.26]
Cp,gas	1119.10	J/mol×K	890.87	Joback Calculated Property
Cp,gas	1134.48	J/mol×K	924.27	Joback Calculated Property
Cp,gas	1148.81	J/mol×K	957.67	Joback Calculated Property
Cp,gas	1162.18	J/mol×K	991.06	Joback Calculated Property
Cp,gas	1174.66	J/mol×K	1024.46	Joback Calculated Property
Cp,gas	1186.36	J/mol×K	1057.86	Joback Calculated Property
Cp,gas	1197.34	J/mol×K	1091.26	Joback Calculated Property

Similar Compounds

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