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

InChI

InChI=1S/C17H25NO4/c1-5-21-16(19)15(11-13(2)3)18(4)17(20)22-12-14-9-7-6-8-10-14/h6-10,13,15H,5,11-12H2,1-4H3

InChI Key

RDLCNYDMNHUZEM-UHFFFAOYSA-N

Formula

C17H25NO4

SMILES

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

Molecular Weight¹

307.38

• 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	0.7424		Relay (1.0) Calculated Property
ΔfG°	-157.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-702.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.38	kJ/mol	Joback Calculated Property
ΔvapH°	94.07	kJ/mol	Relay (1.0) Calculated Property
IE	8.62	eV	Relay (1.0) Calculated Property
log10WS	-3.22		Relay (1.0) Calculated Property
logPoct/wat	3.233		Crippen Calculated Property
McVol	251.490	ml/mol	McGowan Calculated Property
Pc	1717.45	kPa	Joback Calculated Property
Inp	[2042.00; 2042.00]
Inp	2042.00		NIST
Inp	2042.00		NIST
Tboil	606.25	K	Relay (1.0) Calculated Property
Tc	809.06	K	Relay (1.0) Calculated Property
Tfus	278.95	K	Relay (1.0) Calculated Property
Vc	0.902	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[747.29; 826.95]	J/mol×K	[779.18; 982.77]
Cp,gas	747.29	J/mol×K	779.18	Joback Calculated Property
Cp,gas	763.27	J/mol×K	813.11	Joback Calculated Property
Cp,gas	778.12	J/mol×K	847.04	Joback Calculated Property
Cp,gas	791.89	J/mol×K	880.97	Joback Calculated Property
Cp,gas	804.60	J/mol×K	914.90	Joback Calculated Property
Cp,gas	816.27	J/mol×K	948.84	Joback Calculated Property
Cp,gas	826.95	J/mol×K	982.77	Joback Calculated Property

Similar Compounds

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

Sources

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

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