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

InChI

InChI=1S/C19H37NO4/c1-14(2)10-9-11-23-17(21)16(12-15(3)4)20(8)18(22)24-13-19(5,6)7/h14-16H,9-13H2,1-8H3

InChI Key

FVMCSSMKMYAECS-UHFFFAOYSA-N

Formula

C19H37NO4

SMILES

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

Molecular Weight¹

343.50

• 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°	-252.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-882.15	kJ/mol	Joback Calculated Property
ΔfusH°	35.58	kJ/mol	Joback Calculated Property
ΔvapH°	75.78	kJ/mol	Joback Calculated Property
log10WS	-4.44		Crippen Calculated Property
logPoct/wat	4.495		Crippen Calculated Property
McVol	303.430	ml/mol	McGowan Calculated Property
Pc	1181.71	kPa	Joback Calculated Property
Inp	[1960.00; 1960.00]
Inp	1960.00		NIST
Inp	1960.00		NIST
Tboil	794.59	K	Joback Calculated Property
Tc	983.17	K	Joback Calculated Property
Tfus	438.10	K	Joback Calculated Property
Vc	1.137	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[954.48; 1049.01]	J/mol×K	[794.59; 983.17]
Cp,gas	954.48	J/mol×K	794.59	Joback Calculated Property
Cp,gas	972.88	J/mol×K	826.02	Joback Calculated Property
Cp,gas	990.18	J/mol×K	857.45	Joback Calculated Property
Cp,gas	1006.40	J/mol×K	888.88	Joback Calculated Property
Cp,gas	1021.59	J/mol×K	920.31	Joback Calculated Property
Cp,gas	1035.78	J/mol×K	951.74	Joback Calculated Property
Cp,gas	1049.01	J/mol×K	983.17	Joback Calculated Property

Similar Compounds

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

Sources

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

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