Chemical Properties of l-Leucine, N-isobutoxycarbonyl-N-methyl-, pentyl ester

InChI

InChI=1S/C17H33NO4/c1-7-8-9-10-21-16(19)15(11-13(2)3)18(6)17(20)22-12-14(4)5/h13-15H,7-12H2,1-6H3

InChI Key

OZJQDLALJWAQKT-UHFFFAOYSA-N

Formula

C17H33NO4

SMILES

CCCCCOC(=O)C(CC(C)C)N(C)C(=O)OCC(C)C

Molecular Weight¹

315.45

• 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°	-272.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-832.12	kJ/mol	Joback Calculated Property
ΔfusH°	37.81	kJ/mol	Joback Calculated Property
ΔvapH°	72.63	kJ/mol	Joback Calculated Property
log10WS	-3.84		Crippen Calculated Property
logPoct/wat	3.859		Crippen Calculated Property
McVol	275.250	ml/mol	McGowan Calculated Property
Pc	1335.88	kPa	Joback Calculated Property
Inp	[1873.00; 1873.00]
Inp	1873.00		NIST
Inp	1873.00		NIST
Tboil	752.06	K	Joback Calculated Property
Tc	934.27	K	Joback Calculated Property
Tfus	413.14	K	Joback Calculated Property
Vc	1.036	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[834.50; 926.11]	J/mol×K	[752.06; 934.27]
Cp,gas	834.50	J/mol×K	752.06	Joback Calculated Property
Cp,gas	852.16	J/mol×K	782.43	Joback Calculated Property
Cp,gas	868.84	J/mol×K	812.80	Joback Calculated Property
Cp,gas	884.56	J/mol×K	843.17	Joback Calculated Property
Cp,gas	899.33	J/mol×K	873.53	Joback Calculated Property
Cp,gas	913.18	J/mol×K	903.90	Joback Calculated Property
Cp,gas	926.11	J/mol×K	934.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Leucine, N-isobutoxycarbonyl-N-methyl-, pentyl ester.

Sources

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

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