Chemical Properties of L-Leucine, N-methyl-N-(hexyloxycarbonyl)-, isobutyl ester

InChI

InChI=1S/C18H35NO4/c1-7-8-9-10-11-22-18(21)19(6)16(12-14(2)3)17(20)23-13-15(4)5/h14-16H,7-13H2,1-6H3/t16-/m1/s1

InChI Key

UGTSMOUCBPYTKW-MRXNPFEDSA-N

Formula

C18H35NO4

SMILES

CCCCCCOC(=O)N(C)C(CC(C)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°	-263.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-852.76	kJ/mol	Joback Calculated Property
ΔfusH°	40.40	kJ/mol	Joback Calculated Property
ΔvapH°	74.85	kJ/mol	Joback Calculated Property
log10WS	-4.26		Crippen Calculated Property
logPoct/wat	4.249		Crippen Calculated Property
McVol	289.340	ml/mol	McGowan Calculated Property
Pc	1246.85	kPa	Joback Calculated Property
Inp	[1979.00; 1979.00]
Inp	1979.00		NIST
Inp	1979.00		NIST
Tboil	774.94	K	Joback Calculated Property
Tc	958.23	K	Joback Calculated Property
Tfus	424.41	K	Joback Calculated Property
Vc	1.091	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[893.48; 986.32]	J/mol×K	[774.94; 958.23]
Cp,gas	893.48	J/mol×K	774.94	Joback Calculated Property
Cp,gas	911.45	J/mol×K	805.49	Joback Calculated Property
Cp,gas	928.40	J/mol×K	836.04	Joback Calculated Property
Cp,gas	944.34	J/mol×K	866.58	Joback Calculated Property
Cp,gas	959.30	J/mol×K	897.13	Joback Calculated Property
Cp,gas	973.28	J/mol×K	927.68	Joback Calculated Property
Cp,gas	986.32	J/mol×K	958.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Leucine, N-methyl-N-(hexyloxycarbonyl)-, isobutyl ester.

Sources

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

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