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

InChI

InChI=1S/C12H22ClNO3/c1-9(2)8-10(12(16)17-3)14-11(15)6-4-5-7-13/h9-10H,4-8H2,1-3H3,(H,14,15)

InChI Key

DWVUQKRUDKYQKT-UHFFFAOYSA-N

Formula

C12H22ClNO3

SMILES

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

Molecular Weight¹

263.76

• 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	0.7005		Relay (1.0) Calculated Property
ΔfG°	-240.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-772.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.47	kJ/mol	Joback Calculated Property
ΔvapH°	85.20	kJ/mol	Relay (1.0) Calculated Property
IE	9.30	eV	Relay (1.0) Calculated Property
log10WS	-2.86		Relay (1.0) Calculated Property
logPoct/wat	2.099		Crippen Calculated Property
McVol	211.170	ml/mol	McGowan Calculated Property
Pc	1942.37	kPa	Joback Calculated Property
Inp	[1796.00; 1796.00]
Inp	1796.00		NIST
Inp	1796.00		NIST
Tboil	555.43	K	Relay (1.0) Calculated Property
Tc	761.13	K	Relay (1.0) Calculated Property
Tfus	316.80	K	Relay (1.0) Calculated Property
Vc	0.738	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[573.99; 647.94]	J/mol×K	[690.84; 880.76]
Cp,gas	573.99	J/mol×K	690.84	Joback Calculated Property
Cp,gas	588.21	J/mol×K	722.49	Joback Calculated Property
Cp,gas	601.65	J/mol×K	754.15	Joback Calculated Property
Cp,gas	614.33	J/mol×K	785.80	Joback Calculated Property
Cp,gas	626.27	J/mol×K	817.45	Joback Calculated Property
Cp,gas	637.46	J/mol×K	849.10	Joback Calculated Property
Cp,gas	647.94	J/mol×K	880.76	Joback Calculated Property

Similar Compounds

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

Sources

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

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