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

InChI

InChI=1S/C14H23NO4/c1-6-8-18-13(16)12(10-11(3)4)15(5)14(17)19-9-7-2/h6-7,11-12H,1-2,8-10H2,3-5H3

InChI Key

NTZQHYDFDGPPRC-UHFFFAOYSA-N

Formula

C14H23NO4

SMILES

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

Molecular Weight¹

269.34

• 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°	-119.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-514.06	kJ/mol	Joback Calculated Property
ΔfusH°	31.00	kJ/mol	Joback Calculated Property
ΔvapH°	65.00	kJ/mol	Joback Calculated Property
log10WS	-2.53		Crippen Calculated Property
logPoct/wat	2.385		Crippen Calculated Property
McVol	224.380	ml/mol	McGowan Calculated Property
Pc	1777.34	kPa	Joback Calculated Property
Inp	[1628.00; 1628.00]
Inp	1628.00		NIST
Inp	1628.00		NIST
Tboil	677.22	K	Joback Calculated Property
Tc	861.71	K	Joback Calculated Property
Tfus	390.81	K	Joback Calculated Property
Vc	0.836	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[616.18; 696.22]	J/mol×K	[677.22; 861.71]
Cp,gas	616.18	J/mol×K	677.22	Joback Calculated Property
Cp,gas	631.51	J/mol×K	707.97	Joback Calculated Property
Cp,gas	646.02	J/mol×K	738.72	Joback Calculated Property
Cp,gas	659.73	J/mol×K	769.47	Joback Calculated Property
Cp,gas	672.66	J/mol×K	800.21	Joback Calculated Property
Cp,gas	684.82	J/mol×K	830.96	Joback Calculated Property
Cp,gas	696.22	J/mol×K	861.71	Joback Calculated Property

Similar Compounds

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

Sources

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

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