Chemical Properties of l-Leucine, N-allyloxycarbonyl-N-methyl-, heptyl ester

InChI

InChI=1S/C18H33NO4/c1-6-8-9-10-11-13-22-17(20)16(14-15(3)4)19(5)18(21)23-12-7-2/h7,15-16H,2,6,8-14H2,1,3-5H3

InChI Key

WKAIQNWAECFCCK-UHFFFAOYSA-N

Formula

C18H33NO4

SMILES

C=CCOC(=O)N(C)C(CC(C)C)C(=O)OCCCCCCC

Molecular Weight¹

327.46

• 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°	-173.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-722.05	kJ/mol	Joback Calculated Property
ΔfusH°	42.64	kJ/mol	Joback Calculated Property
ΔvapH°	74.57	kJ/mol	Joback Calculated Property
log10WS	-4.35		Crippen Calculated Property
logPoct/wat	4.169		Crippen Calculated Property
McVol	285.040	ml/mol	McGowan Calculated Property
Pc	1277.33	kPa	Joback Calculated Property
Inp	[2011.00; 2011.00]
Inp	2011.00		NIST
Inp	2011.00		NIST
Tboil	772.06	K	Joback Calculated Property
Tc	954.99	K	Joback Calculated Property
Tfus	437.65	K	Joback Calculated Property
Vc	1.079	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[866.89; 956.52]	J/mol×K	[772.06; 954.99]
Cp,gas	866.89	J/mol×K	772.06	Joback Calculated Property
Cp,gas	884.20	J/mol×K	802.55	Joback Calculated Property
Cp,gas	900.54	J/mol×K	833.04	Joback Calculated Property
Cp,gas	915.92	J/mol×K	863.52	Joback Calculated Property
Cp,gas	930.36	J/mol×K	894.01	Joback Calculated Property
Cp,gas	943.89	J/mol×K	924.50	Joback Calculated Property
Cp,gas	956.52	J/mol×K	954.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Leucine, N-allyloxycarbonyl-N-methyl-, heptyl ester.

Sources

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

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