Chemical Properties of l-Methionine, N-capryloyl-, methyl ester

InChI

InChI=1S/C14H27NO3S/c1-4-5-6-7-8-9-13(16)15-12(10-11-19-3)14(17)18-2/h12H,4-11H2,1-3H3,(H,15,16)

InChI Key

DHRWESWFXFVTLO-UHFFFAOYSA-N

Formula

C14H27NO3S

SMILES

CCCCCCCC(=O)NC(CCSC)C(=O)OC

Molecular Weight¹

289.43

• 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	0.7730		Relay (1.0) Calculated Property
ΔfG°	-175.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-742.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.11	kJ/mol	Joback Calculated Property
ΔvapH°	92.89	kJ/mol	Relay (1.0) Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	-3.03		Relay (1.0) Calculated Property
logPoct/wat	2.758		Crippen Calculated Property
McVol	243.460	ml/mol	McGowan Calculated Property
Pc	1714.61	kPa	Joback Calculated Property
Inp	[2106.00; 2106.00]
Inp	2106.00		NIST
Inp	2106.00		NIST
Tboil	594.59	K	Relay (1.0) Calculated Property
Tc	793.97	K	Relay (1.0) Calculated Property
Tfus	331.98	K	Relay (1.0) Calculated Property
Vc	0.862	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[713.80; 791.19]	J/mol×K	[768.39; 963.32]
Cp,gas	713.80	J/mol×K	768.39	Joback Calculated Property
Cp,gas	729.01	J/mol×K	800.88	Joback Calculated Property
Cp,gas	743.27	J/mol×K	833.37	Joback Calculated Property
Cp,gas	756.60	J/mol×K	865.85	Joback Calculated Property
Cp,gas	769.03	J/mol×K	898.34	Joback Calculated Property
Cp,gas	780.55	J/mol×K	930.83	Joback Calculated Property
Cp,gas	791.19	J/mol×K	963.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Methionine, N-capryloyl-, methyl ester.

Sources

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

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