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

InChI

InChI=1S/C16H26F5NO3S/c1-3-4-5-6-7-8-10-25-13(23)12(9-11-26-2)22-14(24)15(17,18)16(19,20)21/h12H,3-11H2,1-2H3,(H,22,24)

InChI Key

XQLOQVWYMYTKAS-UHFFFAOYSA-N

Formula

C16H26F5NO3S

SMILES

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

Molecular Weight¹

407.44

• 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°	49.44	kJ/mol	Joback Calculated Property
logPoct/wat	4.326		Crippen Calculated Property
McVol	280.490	ml/mol	McGowan Calculated Property
Inp	[1983.00; 1983.00]
Inp	1983.00		NIST
Inp	1983.00		NIST
Tboil	579.82	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	[862.97; 934.76]	J/mol×K	[786.17; 968.54]
Cp,gas	862.97	J/mol×K	786.17	Joback Calculated Property
Cp,gas	877.17	J/mol×K	816.56	Joback Calculated Property
Cp,gas	890.41	J/mol×K	846.96	Joback Calculated Property
Cp,gas	902.75	J/mol×K	877.35	Joback Calculated Property
Cp,gas	914.22	J/mol×K	907.75	Joback Calculated Property
Cp,gas	924.87	J/mol×K	938.14	Joback Calculated Property
Cp,gas	934.76	J/mol×K	968.54	Joback Calculated Property

Similar Compounds

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