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

InChI

InChI=1S/C18H35NO4/c1-13(2)9-8-10-22-17(20)16(11-14(3)4)19(7)18(21)23-12-15(5)6/h13-16H,8-12H2,1-7H3

InChI Key

VZOJBEAVPYCAGU-UHFFFAOYSA-N

Formula

C18H35NO4

SMILES

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

Molecular Weight¹

329.47

• 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°	-266.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-858.04	kJ/mol	Joback Calculated Property
ΔfusH°	36.88	kJ/mol	Joback Calculated Property
ΔvapH°	74.46	kJ/mol	Joback Calculated Property
log10WS	-4.02		Crippen Calculated Property
logPoct/wat	4.105		Crippen Calculated Property
McVol	289.340	ml/mol	McGowan Calculated Property
Pc	1253.92	kPa	Joback Calculated Property
Inp	[1926.00; 1926.00]
Inp	1926.00		NIST
Inp	1926.00		NIST
Tboil	774.50	K	Joback Calculated Property
Tc	959.30	K	Joback Calculated Property
Tfus	409.41	K	Joback Calculated Property
Vc	1.085	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[893.96; 987.37]	J/mol×K	[774.50; 959.30]
Cp,gas	893.96	J/mol×K	774.50	Joback Calculated Property
Cp,gas	912.09	J/mol×K	805.30	Joback Calculated Property
Cp,gas	929.17	J/mol×K	836.10	Joback Calculated Property
Cp,gas	945.22	J/mol×K	866.90	Joback Calculated Property
Cp,gas	960.26	J/mol×K	897.70	Joback Calculated Property
Cp,gas	974.30	J/mol×K	928.50	Joback Calculated Property
Cp,gas	987.37	J/mol×K	959.30	Joback Calculated Property

Similar Compounds

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

Sources

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

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