Chemical Properties of L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, hexyl ester

InChI

InChI=1S/C18H31NO4/c1-6-8-10-11-13-22-17(20)16(14-15(3)4)19(5)18(21)23-12-9-7-2/h2,15-16H,6,8-14H2,1,3-5H3/t16-/m1/s1

InChI Key

PJQBFQKBOBGHGT-MRXNPFEDSA-N

Formula

C18H31NO4

SMILES

C#CCCOC(=O)N(C)C(CC(C)C)C(=O)OCCCCCC

Molecular Weight¹

325.44

• 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°	-38.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-555.58	kJ/mol	Joback Calculated Property
ΔfusH°	46.90	kJ/mol	Joback Calculated Property
ΔvapH°	75.10	kJ/mol	Joback Calculated Property
log10WS	-4.29		Crippen Calculated Property
logPoct/wat	3.616		Crippen Calculated Property
McVol	280.740	ml/mol	McGowan Calculated Property
Pc	1379.91	kPa	Joback Calculated Property
Inp	[1972.00; 1972.00]
Inp	1972.00		NIST
Inp	1972.00		NIST
Tboil	765.50	K	Joback Calculated Property
Tc	951.51	K	Joback Calculated Property
Tfus	486.38	K	Joback Calculated Property
Vc	1.060	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[839.48; 926.85]	J/mol×K	[765.50; 951.51]
Cp,gas	839.48	J/mol×K	765.50	Joback Calculated Property
Cp,gas	856.37	J/mol×K	796.50	Joback Calculated Property
Cp,gas	872.30	J/mol×K	827.50	Joback Calculated Property
Cp,gas	887.28	J/mol×K	858.51	Joback Calculated Property
Cp,gas	901.36	J/mol×K	889.51	Joback Calculated Property
Cp,gas	914.54	J/mol×K	920.51	Joback Calculated Property
Cp,gas	926.85	J/mol×K	951.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, hexyl ester.

Sources

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

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