Chemical Properties of l-Methionine, N-(5-chlorovaleryl)-, methyl ester

InChI

InChI=1S/C11H20ClNO3S/c1-16-11(15)9(6-8-17-2)13-10(14)5-3-4-7-12/h9H,3-8H2,1-2H3,(H,13,14)

InChI Key

IQLBEONWSITFOW-UHFFFAOYSA-N

Formula

C11H20ClNO3S

SMILES

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

Molecular Weight¹

281.80

• 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	0.7067		Relay (... Calculated Property
ΔfG°	-212.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-720.63	kJ/mol	Relay (... Calculated Property
ΔfusH°	38.53	kJ/mol	Joback Calculated Property
ΔvapH°	90.89	kJ/mol	Relay (... Calculated Property
IE	8.92	eV	Relay (... Calculated Property
log10WS	-2.06		Relay (... Calculated Property
logPoct/wat	1.806		Crippen Calculated Property
McVol	213.430	ml/mol	McGowan Calculated Property
Pc	2135.43	kPa	Joback Calculated Property
Inp	[2076.00; 2076.00]
Inp	2076.00		NIST
Inp	2076.00		NIST
Tboil	587.87	K	Relay (... Calculated Property
Tc	805.99	K	Relay (... Calculated Property
Tfus	331.97	K	Relay (... Calculated Property
Vc	0.727	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[575.73; 641.67]	J/mol×K	[737.18; 939.71]
Cp,gas	575.73	J/mol×K	737.18	Joback Calculated Property
Cp,gas	588.79	J/mol×K	770.93	Joback Calculated Property
Cp,gas	601.02	J/mol×K	804.69	Joback Calculated Property
Cp,gas	612.41	J/mol×K	838.44	Joback Calculated Property
Cp,gas	622.97	J/mol×K	872.20	Joback Calculated Property
Cp,gas	632.72	J/mol×K	905.95	Joback Calculated Property
Cp,gas	641.67	J/mol×K	939.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Methionine, N-(5-chlorovaleryl)-, methyl ester.

Sources

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

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