Chemical Properties of l-Methionine, N-(2-chlorobenzoyl)-, methyl ester

InChI

InChI=1S/C13H16ClNO3S/c1-18-13(17)11(7-8-19-2)15-12(16)9-5-3-4-6-10(9)14/h3-6,11H,7-8H2,1-2H3,(H,15,16)

InChI Key

VTGMWNUUHTXXLY-UHFFFAOYSA-N

Formula

C13H16ClNO3S

SMILES

COC(=O)C(CCSC)NC(=O)c1ccccc1Cl

Molecular Weight¹

301.79

• 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	0.6661		Relay (1.0) Calculated Property
ΔfG°	-93.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-503.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.37	kJ/mol	Joback Calculated Property
ΔvapH°	97.81	kJ/mol	Relay (1.0) Calculated Property
IE	8.53	eV	Relay (1.0) Calculated Property
log10WS	-3.16		Relay (1.0) Calculated Property
logPoct/wat	2.364		Crippen Calculated Property
McVol	217.850	ml/mol	McGowan Calculated Property
Pc	2402.92	kPa	Joback Calculated Property
Inp	[2261.00; 2261.00]
Inp	2261.00		NIST
Inp	2261.00		NIST
Tboil	623.80	K	Relay (1.0) Calculated Property
Tc	873.87	K	Relay (1.0) Calculated Property
Tfus	370.71	K	Relay (1.0) Calculated Property
Vc	0.733	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[589.83; 645.21]	J/mol×K	[814.60; 1045.47]
Cp,gas	589.83	J/mol×K	814.60	Joback Calculated Property
Cp,gas	601.74	J/mol×K	853.08	Joback Calculated Property
Cp,gas	612.54	J/mol×K	891.56	Joback Calculated Property
Cp,gas	622.27	J/mol×K	930.04	Joback Calculated Property
Cp,gas	630.95	J/mol×K	968.51	Joback Calculated Property
Cp,gas	638.58	J/mol×K	1006.99	Joback Calculated Property
Cp,gas	645.21	J/mol×K	1045.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Methionine, N-(2-chlorobenzoyl)-, methyl ester.

Sources

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

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