Chemical Properties of L-Leucine, methyl ester (CAS 2666-93-5)

InChI

InChI=1S/C7H15NO2/c1-5(2)4-6(8)7(9)10-3/h5-6H,4,8H2,1-3H3/t6-/m1/s1

InChI Key

QVDXUKJJGUSGLS-ZCFIWIBFSA-N

Formula

C7H15NO2

SMILES

COC(=O)C(N)CC(C)C

Molecular Weight¹

145.20

CAS

2666-93-5

Other Names

• (+)-L-Leucine methyl ester
• (d) leucine methyl ester
• Leu, propyl ester
• Leucine methyl ester
• Leucine, methyl ester, L-
• Methyl L-leucinate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• 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
ω	0.4879		Relay (1.0) Calculated Property
ΔfH°gas	-475.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.41	kJ/mol	Joback Calculated Property
ΔvapH°	56.51	kJ/mol	Relay (1.0) Calculated Property
IE	8.62	eV	Relay (1.0) Calculated Property
logPoct/wat	0.533		Crippen Calculated Property
McVol	126.910	ml/mol	McGowan Calculated Property
Pc	3045.68	kPa	Joback Calculated Property
Inp	[1260.00; 1269.00]
Inp	1269.00		NIST
Inp	1267.00		NIST
Inp	1262.00		NIST
Inp	1261.00		NIST
Inp	1260.00		NIST
Tboil	439.90	K	Relay (1.0) Calculated Property
Tc	620.44	K	Relay (1.0) Calculated Property
Tfus	283.53	K	Relay (1.0) Calculated Property
Vc	0.445	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[190.06; 425.62]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.50610e+01
Coefficient B			6.87760e-01
Coefficient C			-3.12200e-04
Coefficient D			2.50000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	190.06	J/mol×K	273.00	Calculated Property
Cp,gas	230.41	J/mol×K	353.78	Calculated Property
Cp,gas	267.03	J/mol×K	434.56	Calculated Property
Cp,gas	300.00	J/mol×K	515.33	Calculated Property
Cp,gas	329.40	J/mol×K	596.11	Calculated Property
Cp,gas	355.31	J/mol×K	676.89	Calculated Property
Cp,gas	377.81	J/mol×K	757.67	Calculated Property
Cp,gas	396.97	J/mol×K	838.44	Calculated Property
Cp,gas	412.88	J/mol×K	919.22	Calculated Property
Cp,gas	425.62	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to L-Leucine, methyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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