Chemical Properties of l-Leucine, N-methyl-n-propoxycarbonyl-, propyl ester

InChI

InChI=1S/C14H27NO4/c1-6-8-18-13(16)12(10-11(3)4)15(5)14(17)19-9-7-2/h11-12H,6-10H2,1-5H3

InChI Key

HLLRREYNPZXPJV-UHFFFAOYSA-N

Formula

C14H27NO4

SMILES

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

Molecular Weight¹

273.37

• 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°	-294.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-764.92	kJ/mol	Joback Calculated Property
ΔfusH°	33.56	kJ/mol	Joback Calculated Property
ΔvapH°	66.34	kJ/mol	Joback Calculated Property
log10WS	-2.83		Crippen Calculated Property
logPoct/wat	2.833		Crippen Calculated Property
McVol	232.980	ml/mol	McGowan Calculated Property
Pc	1657.84	kPa	Joback Calculated Property
Inp	[1645.00; 1645.00]
Inp	1645.00		NIST
Inp	1645.00		NIST
Tboil	683.86	K	Joback Calculated Property
Tc	863.70	K	Joback Calculated Property
Tfus	394.33	K	Joback Calculated Property
Vc	0.874	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[663.21; 749.25]	J/mol×K	[683.86; 863.70]
Cp,gas	663.21	J/mol×K	683.86	Joback Calculated Property
Cp,gas	679.58	J/mol×K	713.83	Joback Calculated Property
Cp,gas	695.13	J/mol×K	743.81	Joback Calculated Property
Cp,gas	709.86	J/mol×K	773.78	Joback Calculated Property
Cp,gas	723.78	J/mol×K	803.75	Joback Calculated Property
Cp,gas	736.90	J/mol×K	833.73	Joback Calculated Property
Cp,gas	749.25	J/mol×K	863.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Leucine, N-methyl-n-propoxycarbonyl-, propyl ester.

Sources

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

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