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

InChI

InChI=1S/C17H29NO4/c1-6-8-10-12-21-16(19)15(13-14(3)4)18(5)17(20)22-11-9-7-2/h2,14-15H,6,8-13H2,1,3-5H3/t15-/m1/s1

InChI Key

RSEBXXQYWPFRKH-OAHLLOKOSA-N

Formula

C17H29NO4

SMILES

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

Molecular Weight¹

311.42

• 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°	-46.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-534.94	kJ/mol	Joback Calculated Property
ΔfusH°	44.31	kJ/mol	Joback Calculated Property
ΔvapH°	72.87	kJ/mol	Joback Calculated Property
log10WS	-3.88		Crippen Calculated Property
logPoct/wat	3.226		Crippen Calculated Property
McVol	266.650	ml/mol	McGowan Calculated Property
Pc	1483.85	kPa	Joback Calculated Property
Inp	[1883.00; 1883.00]
Inp	1883.00		NIST
Inp	1883.00		NIST
Tboil	742.62	K	Joback Calculated Property
Tc	928.32	K	Joback Calculated Property
Tfus	475.11	K	Joback Calculated Property
Vc	1.004	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[781.87; 867.80]	J/mol×K	[742.62; 928.32]
Cp,gas	781.87	J/mol×K	742.62	Joback Calculated Property
Cp,gas	798.44	J/mol×K	773.57	Joback Calculated Property
Cp,gas	814.07	J/mol×K	804.52	Joback Calculated Property
Cp,gas	828.81	J/mol×K	835.47	Joback Calculated Property
Cp,gas	842.66	J/mol×K	866.42	Joback Calculated Property
Cp,gas	855.65	J/mol×K	897.37	Joback Calculated Property
Cp,gas	867.80	J/mol×K	928.32	Joback Calculated Property

Similar Compounds

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

Sources

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

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