Chemical Properties of l-Leucine, N-benzyloxycarbonyl-N-methyl-, isobutyl ester

InChI

InChI=1S/C19H29NO4/c1-14(2)11-17(18(21)23-12-15(3)4)20(5)19(22)24-13-16-9-7-6-8-10-16/h6-10,14-15,17H,11-13H2,1-5H3

InChI Key

DGKZHIXHVKODBP-UHFFFAOYSA-N

Formula

C19H29NO4

SMILES

CC(C)COC(=O)C(CC(C)C)N(C)C(=O)OCc1ccccc1

Molecular Weight¹

335.44

• 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	0.8048		Relay (1.0) Calculated Property
ΔfG°	-142.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-756.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.03	kJ/mol	Joback Calculated Property
ΔvapH°	95.03	kJ/mol	Relay (1.0) Calculated Property
IE	8.63	eV	Relay (1.0) Calculated Property
log10WS	-3.81		Relay (1.0) Calculated Property
logPoct/wat	3.869		Crippen Calculated Property
McVol	279.670	ml/mol	McGowan Calculated Property
Pc	1482.71	kPa	Joback Calculated Property
Inp	[2157.00; 2157.00]
Inp	2157.00		NIST
Inp	2157.00		NIST
Tboil	618.93	K	Relay (1.0) Calculated Property
Tc	827.01	K	Relay (1.0) Calculated Property
Tfus	282.61	K	Relay (1.0) Calculated Property
Vc	1.010	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[863.34; 944.79]	J/mol×K	[824.50; 1028.88]
Cp,gas	863.34	J/mol×K	824.50	Joback Calculated Property
Cp,gas	879.82	J/mol×K	858.56	Joback Calculated Property
Cp,gas	895.09	J/mol×K	892.63	Joback Calculated Property
Cp,gas	909.19	J/mol×K	926.69	Joback Calculated Property
Cp,gas	922.15	J/mol×K	960.75	Joback Calculated Property
Cp,gas	934.00	J/mol×K	994.82	Joback Calculated Property
Cp,gas	944.79	J/mol×K	1028.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Leucine, N-benzyloxycarbonyl-N-methyl-, isobutyl ester.

Sources

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

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