Chemical Properties of l-Methionine, n-heptafluorobutyryl-, pentadecyl ester

InChI

InChI=1S/C24H40F7NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-35-20(33)19(16-18-36-2)32-21(34)22(25,26)23(27,28)24(29,30)31/h19H,3-18H2,1-2H3,(H,32,34)

InChI Key

DGPJRLNCMSOIIK-UHFFFAOYSA-N

Formula

C24H40F7NO3S

SMILES

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

Molecular Weight¹

555.63

• 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	1.1281		Relay (1.0) Calculated Property
ΔfG°	-1446.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-2364.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	67.33	kJ/mol	Joback Calculated Property
ΔvapH°	120.22	kJ/mol	Relay (1.0) Calculated Property
IE	9.40	eV	Relay (1.0) Calculated Property
log10WS	-7.83		Relay (1.0) Calculated Property
logPoct/wat	7.692		Crippen Calculated Property
McVol	396.750	ml/mol	McGowan Calculated Property
Pc	757.65	kPa	Joback Calculated Property
Inp	[2660.00; 2660.00]
Inp	2660.00		NIST
Inp	2660.00		NIST
Tboil	653.15	K	Relay (1.0) Calculated Property
Tc	788.06	K	Relay (1.0) Calculated Property
Tfus	341.31	K	Relay (1.0) Calculated Property
Vc	1.439	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1363.59; 1456.09]	J/mol×K	[982.39; 1216.59]
Cp,gas	1363.59	J/mol×K	982.39	Joback Calculated Property
Cp,gas	1381.77	J/mol×K	1021.42	Joback Calculated Property
Cp,gas	1398.63	J/mol×K	1060.46	Joback Calculated Property
Cp,gas	1414.34	J/mol×K	1099.49	Joback Calculated Property
Cp,gas	1429.05	J/mol×K	1138.52	Joback Calculated Property
Cp,gas	1442.91	J/mol×K	1177.56	Joback Calculated Property
Cp,gas	1456.09	J/mol×K	1216.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Methionine, n-heptafluorobutyryl-, pentadecyl ester.

Sources

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

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