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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9436		Relay (... Calculated Property
ΔfG°	-1102.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-1878.45	kJ/mol	Relay (... Calculated Property
ΔfusH°	55.63	kJ/mol	Joback Calculated Property
ΔvapH°	101.21	kJ/mol	Relay (... Calculated Property
IE	9.22	eV	Relay (... Calculated Property
log10WS	-6.05		Relay (... Calculated Property
logPoct/wat	5.496		Crippen Calculated Property
McVol	322.760	ml/mol	McGowan Calculated Property
Pc	1052.77	kPa	Joback Calculated Property
Inp	[2279.00; 2279.00]
Inp	2279.00		NIST
Inp	2279.00		NIST
Tboil	608.89	K	Relay (... Calculated Property
Tc	756.13	K	Relay (... Calculated Property
Tfus	339.48	K	Relay (... Calculated Property
Vc	1.159	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1044.27; 1121.79]	J/mol×K	[872.68; 1068.49]
Cp,gas	1044.27	J/mol×K	872.68	Joback Calculated Property
Cp,gas	1059.61	J/mol×K	905.31	Joback Calculated Property
Cp,gas	1073.91	J/mol×K	937.95	Joback Calculated Property
Cp,gas	1087.21	J/mol×K	970.58	Joback Calculated Property
Cp,gas	1099.58	J/mol×K	1003.22	Joback Calculated Property
Cp,gas	1111.09	J/mol×K	1035.85	Joback Calculated Property
Cp,gas	1121.79	J/mol×K	1068.49	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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