Chemical Properties of l-Leucine, n-butoxycarbonyl-N-methyl-, butyl ester

InChI

InChI=1S/C16H31NO4/c1-6-8-10-20-15(18)14(12-13(3)4)17(5)16(19)21-11-9-7-2/h13-14H,6-12H2,1-5H3

InChI Key

OGWAHWBCOSKDJB-UHFFFAOYSA-N

Formula

C16H31NO4

SMILES

CCCCOC(=O)C(CC(C)C)N(C)C(=O)OCCCC

Molecular Weight¹

301.42

• 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°	-278.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-806.20	kJ/mol	Joback Calculated Property
ΔfusH°	38.74	kJ/mol	Joback Calculated Property
ΔvapH°	70.79	kJ/mol	Joback Calculated Property
log10WS	-3.66		Crippen Calculated Property
logPoct/wat	3.613		Crippen Calculated Property
McVol	261.160	ml/mol	McGowan Calculated Property
Pc	1426.15	kPa	Joback Calculated Property
Inp	[1820.00; 1820.00]
Inp	1820.00		NIST
Inp	1820.00		NIST
Tboil	729.62	K	Joback Calculated Property
Tc	909.40	K	Joback Calculated Property
Tfus	416.87	K	Joback Calculated Property
Vc	0.986	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[776.01; 865.46]	J/mol×K	[729.62; 909.40]
Cp,gas	776.01	J/mol×K	729.62	Joback Calculated Property
Cp,gas	793.14	J/mol×K	759.58	Joback Calculated Property
Cp,gas	809.36	J/mol×K	789.55	Joback Calculated Property
Cp,gas	824.69	J/mol×K	819.51	Joback Calculated Property
Cp,gas	839.14	J/mol×K	849.47	Joback Calculated Property
Cp,gas	852.73	J/mol×K	879.44	Joback Calculated Property
Cp,gas	865.46	J/mol×K	909.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Leucine, n-butoxycarbonyl-N-methyl-, butyl ester.

Sources

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

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