Chemical Properties of L-Leucine, N-methyl-N-(hexyloxycarbonyl)-, propyl ester

InChI

InChI=1S/C17H33NO4/c1-6-8-9-10-12-22-17(20)18(5)15(13-14(3)4)16(19)21-11-7-2/h14-15H,6-13H2,1-5H3/t15-/m1/s1

InChI Key

XADIKNXCJOPSPT-OAHLLOKOSA-N

Formula

C17H33NO4

SMILES

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

Molecular Weight¹

315.45

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8583		Relay (1.0) Calculated Property
ΔfG°	-269.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-969.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.33	kJ/mol	Joback Calculated Property
ΔvapH°	86.27	kJ/mol	Relay (1.0) Calculated Property
IE	8.77	eV	Relay (1.0) Calculated Property
log10WS	-3.77		Relay (1.0) Calculated Property
logPoct/wat	4.003		Crippen Calculated Property
McVol	275.250	ml/mol	McGowan Calculated Property
Pc	1328.10	kPa	Joback Calculated Property
Inp	[1885.00; 1885.00]
Inp	1885.00		NIST
Inp	1885.00		NIST
Tboil	589.22	K	Relay (1.0) Calculated Property
Tc	756.64	K	Relay (1.0) Calculated Property
Tfus	241.70	K	Relay (1.0) Calculated Property
Vc	1.021	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[834.02; 924.95]	J/mol×K	[752.50; 933.04]
Cp,gas	834.02	J/mol×K	752.50	Joback Calculated Property
Cp,gas	851.50	J/mol×K	782.59	Joback Calculated Property
Cp,gas	868.03	J/mol×K	812.68	Joback Calculated Property
Cp,gas	883.63	J/mol×K	842.77	Joback Calculated Property
Cp,gas	898.30	J/mol×K	872.86	Joback Calculated Property
Cp,gas	912.07	J/mol×K	902.95	Joback Calculated Property
Cp,gas	924.95	J/mol×K	933.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Leucine, N-methyl-N-(hexyloxycarbonyl)-, propyl ester.

Sources

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

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