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

• 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	0.8243		Relay (1.0) Calculated Property
ΔfH°gas	-952.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.74	kJ/mol	Joback Calculated Property
ΔvapH°	85.47	kJ/mol	Relay (1.0) Calculated Property
IE	8.70	eV	Relay (1.0) Calculated Property
log10WS	-3.33		Relay (1.0) 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	578.48	K	Relay (1.0) Calculated Property
Tc	746.29	K	Relay (1.0) Calculated Property
Tfus	230.71	K	Relay (1.0) Calculated Property
Vc	0.968	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	[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

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

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