Chemical Properties of L-Leucine, N-methyl-N-(2-(benzyloxy)ethoxycarbonyl)-, dodecyl ester

InChI

InChI=1S/C29H49NO5/c1-5-6-7-8-9-10-11-12-13-17-20-34-28(31)27(23-25(2)3)30(4)29(32)35-22-21-33-24-26-18-15-14-16-19-26/h14-16,18-19,25,27H,5-13,17,20-24H2,1-4H3/t27-/m1/s1

InChI Key

LPWSGAITAZLTGG-HHHXNRCGSA-N

Formula

C29H49NO5

SMILES

CCCCCCCCCCCCOC(=O)C(CC(C)C)N(C)C(=O)OCCOCc1ccccc1

Molecular Weight¹

491.70

• 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).
• 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
ΔfG°	-161.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-970.21	kJ/mol	Joback Calculated Property
ΔfusH°	67.64	kJ/mol	Joback Calculated Property
ΔvapH°	104.41	kJ/mol	Joback Calculated Property
log10WS	-7.79		Crippen Calculated Property
logPoct/wat	7.150		Crippen Calculated Property
McVol	426.440	ml/mol	McGowan Calculated Property
Pc	779.38	kPa	Joback Calculated Property
Inp	[3206.00; 3206.00]
Inp	3206.00		NIST
Inp	3206.00		NIST
Tboil	1076.16	K	Joback Calculated Property
Tc	1330.37	K	Joback Calculated Property
Tfus	612.03	K	Joback Calculated Property
Vc	1.623	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1507.00; 1580.91]	J/mol×K	[1076.16; 1330.37]
Cp,gas	1507.00	J/mol×K	1076.16	Joback Calculated Property
Cp,gas	1524.54	J/mol×K	1118.53	Joback Calculated Property
Cp,gas	1539.86	J/mol×K	1160.90	Joback Calculated Property
Cp,gas	1553.06	J/mol×K	1203.26	Joback Calculated Property
Cp,gas	1564.23	J/mol×K	1245.63	Joback Calculated Property
Cp,gas	1573.48	J/mol×K	1288.00	Joback Calculated Property
Cp,gas	1580.91	J/mol×K	1330.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Leucine, N-methyl-N-(2-(benzyloxy)ethoxycarbonyl)-, dodecyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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