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_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).
• 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
ΔfG°	-1480.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-2122.47	kJ/mol	Joback Calculated Property
ΔfusH°	56.97	kJ/mol	Joback Calculated Property
ΔvapH°	79.27	kJ/mol	Joback Calculated Property
log10WS	-7.31		Crippen Calculated Property
logPoct/wat	6.131		Crippen Calculated Property
McVol	340.390	ml/mol	McGowan Calculated Property
Pc	947.33	kPa	Joback Calculated Property
Inp	[2279.00; 2279.00]
Inp	2279.00		NIST
Inp	2279.00		NIST
Tboil	890.87	K	Joback Calculated Property
Tc	1091.26	K	Joback Calculated Property
Tfus	520.70	K	Joback Calculated Property
Vc	1.361	m3/kmol	Joback Calculated Property

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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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