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

InChI

InChI=1S/C24H42F5NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-33-21(31)20(17-19-34-2)30-22(32)23(25,26)24(27,28)29/h20H,3-19H2,1-2H3,(H,30,32)

InChI Key

UGPZSFRLBSETOP-UHFFFAOYSA-N

Formula

C24H42F5NO3S

SMILES

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

Molecular Weight¹

519.65

• 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	1.1242		Relay (1.0) Calculated Property
ΔfG°	-1059.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-1975.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	68.58	kJ/mol	Joback Calculated Property
ΔvapH°	120.70	kJ/mol	Relay (1.0) Calculated Property
IE	9.37	eV	Relay (1.0) Calculated Property
log10WS	-7.46		Relay (1.0) Calculated Property
logPoct/wat	7.446		Crippen Calculated Property
McVol	393.210	ml/mol	McGowan Calculated Property
Pc	788.16	kPa	Joback Calculated Property
Inp	[2783.00; 2783.00]
Inp	2783.00		NIST
Inp	2783.00		NIST
Tboil	650.91	K	Relay (1.0) Calculated Property
Tc	800.11	K	Relay (1.0) Calculated Property
Tfus	354.21	K	Relay (1.0) Calculated Property
Vc	1.426	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1350.10; 1440.76]	J/mol×K	[987.08; 1219.64]
Cp,gas	1350.10	J/mol×K	987.08	Joback Calculated Property
Cp,gas	1368.37	J/mol×K	1025.84	Joback Calculated Property
Cp,gas	1385.21	J/mol×K	1064.60	Joback Calculated Property
Cp,gas	1400.74	J/mol×K	1103.36	Joback Calculated Property
Cp,gas	1415.10	J/mol×K	1142.12	Joback Calculated Property
Cp,gas	1428.39	J/mol×K	1180.88	Joback Calculated Property
Cp,gas	1440.76	J/mol×K	1219.64	Joback Calculated Property

Similar Compounds

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

Sources

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

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