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

InChI

InChI=1S/C22H38F5NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-31-19(29)18(15-17-32-2)28-20(30)21(23,24)22(25,26)27/h18H,3-17H2,1-2H3,(H,28,30)

InChI Key

DTTUCZXPUVFDOO-UHFFFAOYSA-N

Formula

C22H38F5NO3S

SMILES

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

Molecular Weight¹

491.60

• 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	1.0526		Relay (1.0) Calculated Property
ΔfG°	-1076.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-1936.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.40	kJ/mol	Joback Calculated Property
ΔvapH°	113.05	kJ/mol	Relay (1.0) Calculated Property
IE	9.30	eV	Relay (1.0) Calculated Property
log10WS	-6.92		Relay (1.0) Calculated Property
logPoct/wat	6.666		Crippen Calculated Property
McVol	365.030	ml/mol	McGowan Calculated Property
Pc	880.52	kPa	Joback Calculated Property
Inp	[2569.00; 2569.00]
Inp	2569.00		NIST
Inp	2569.00		NIST
Tboil	634.68	K	Relay (1.0) Calculated Property
Tc	783.21	K	Relay (1.0) Calculated Property
Tfus	349.62	K	Relay (1.0) Calculated Property
Vc	1.319	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1226.04; 1310.72]	J/mol×K	[941.32; 1155.80]
Cp,gas	1226.04	J/mol×K	941.32	Joback Calculated Property
Cp,gas	1242.98	J/mol×K	977.07	Joback Calculated Property
Cp,gas	1258.66	J/mol×K	1012.81	Joback Calculated Property
Cp,gas	1273.18	J/mol×K	1048.56	Joback Calculated Property
Cp,gas	1286.64	J/mol×K	1084.30	Joback Calculated Property
Cp,gas	1299.12	J/mol×K	1120.05	Joback Calculated Property
Cp,gas	1310.72	J/mol×K	1155.80	Joback Calculated Property

Similar Compounds

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

Sources

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

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