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_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	0.7764		Relay (... Calculated Property
ΔfG°	-282.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-986.21	kJ/mol	Relay (... Calculated Property
ΔfusH°	31.70	kJ/mol	Joback Calculated Property
ΔvapH°	80.65	kJ/mol	Relay (... Calculated Property
IE	8.81	eV	Relay (... Calculated Property
log10WS	-3.40		Relay (... Calculated Property
logPoct/wat	3.325		Crippen Calculated Property
McVol	261.160	ml/mol	McGowan Calculated Property
Pc	1443.54	kPa	Joback Calculated Property
Inp	[1760.00; 1760.00]
Inp	1760.00		NIST
Inp	1760.00		NIST
Tboil	574.98	K	Relay (... Calculated Property
Tc	741.32	K	Relay (... Calculated Property
Tfus	259.76	K	Relay (... Calculated Property
Vc	0.968	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[776.97; 868.10]	J/mol×K	[728.74; 912.54]
Cp,gas	776.97	J/mol×K	728.74	Joback Calculated Property
Cp,gas	794.52	J/mol×K	759.37	Joback Calculated Property
Cp,gas	811.11	J/mol×K	790.01	Joback Calculated Property
Cp,gas	826.75	J/mol×K	820.64	Joback Calculated Property
Cp,gas	841.45	J/mol×K	851.28	Joback Calculated Property
Cp,gas	855.23	J/mol×K	881.91	Joback Calculated Property
Cp,gas	868.10	J/mol×K	912.54	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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