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

InChI

InChI=1S/C16H31NO4/c1-11(2)8-14(15(18)20-9-12(3)4)17(7)16(19)21-10-13(5)6/h11-14H,8-10H2,1-7H3

InChI Key

JOMTYNZJCKLJBL-UHFFFAOYSA-N

Formula

C16H31NO4

SMILES

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

Molecular Weight¹

301.42

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.7764		Relay (1.0) Calculated Property
ΔfH°gas	-986.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.86	kJ/mol	Joback Calculated Property
ΔvapH°	82.22	kJ/mol	Relay (1.0) Calculated Property
IE	8.81	eV	Relay (1.0) Calculated Property
log10WS	-3.40		Relay (1.0) Calculated Property
logPoct/wat	3.325		Crippen Calculated Property
McVol	261.160	ml/mol	McGowan Calculated Property
Pc	1357.63	kPa	Joback Calculated Property
Inp	[1760.00; 1760.00]
Inp	1760.00		NIST
Inp	1760.00		NIST
Tboil	574.98	K	Relay (1.0) Calculated Property
Tc	746.20	K	Relay (1.0) Calculated Property
Tfus	255.16	K	Relay (1.0) Calculated Property
Vc	0.971	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[761.45; 854.87]	J/mol×K	[692.80; 871.68]
Cp,gas	761.45	J/mol×K	692.80	Joback Calculated Property
Cp,gas	779.48	J/mol×K	722.61	Joback Calculated Property
Cp,gas	796.50	J/mol×K	752.43	Joback Calculated Property
Cp,gas	812.54	J/mol×K	782.24	Joback Calculated Property
Cp,gas	827.60	J/mol×K	812.06	Joback Calculated Property
Cp,gas	841.71	J/mol×K	841.87	Joback Calculated Property
Cp,gas	854.87	J/mol×K	871.68	Joback Calculated Property

Similar Compounds

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

Sources

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

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