Chemical Properties of l-Methionine, N-(p-toluoyl)-, methyl ester

InChI

InChI=1S/C14H19NO3S/c1-10-4-6-11(7-5-10)13(16)15-12(8-9-19-3)14(17)18-2/h4-7,12H,8-9H2,1-3H3,(H,15,16)

InChI Key

QMWSBWKFWFGDFP-UHFFFAOYSA-N

Formula

C14H19NO3S

SMILES

COC(=O)C(CCSC)NC(=O)c1ccc(C)cc1

Molecular Weight¹

281.37

• 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	0.6879		Relay (1.0) Calculated Property
ΔfG°	-72.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-495.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.76	kJ/mol	Joback Calculated Property
ΔvapH°	97.76	kJ/mol	Relay (1.0) Calculated Property
IE	8.29	eV	Relay (1.0) Calculated Property
log10WS	-2.97		Relay (1.0) Calculated Property
logPoct/wat	2.020		Crippen Calculated Property
McVol	219.700	ml/mol	McGowan Calculated Property
Pc	2269.73	kPa	Joback Calculated Property
Inp	[2245.00; 2245.00]
Inp	2245.00		NIST
Inp	2245.00		NIST
Tboil	628.84	K	Relay (1.0) Calculated Property
Tc	855.20	K	Relay (1.0) Calculated Property
Tfus	374.33	K	Relay (1.0) Calculated Property
Vc	0.748	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[621.54; 685.83]	J/mol×K	[800.05; 1024.98]
Cp,gas	621.54	J/mol×K	800.05	Joback Calculated Property
Cp,gas	635.00	J/mol×K	837.54	Joback Calculated Property
Cp,gas	647.34	J/mol×K	875.03	Joback Calculated Property
Cp,gas	658.57	J/mol×K	912.51	Joback Calculated Property
Cp,gas	668.71	J/mol×K	950.00	Joback Calculated Property
Cp,gas	677.79	J/mol×K	987.49	Joback Calculated Property
Cp,gas	685.83	J/mol×K	1024.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Methionine, N-(p-toluoyl)-, methyl ester.

Sources

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

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