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

InChI

InChI=1S/C16H27NO4/c1-6-8-10-20-15(18)14(12-13(3)4)17(5)16(19)21-11-9-7-2/h2,13-14H,6,8-12H2,1,3-5H3/t14-/m1/s1

InChI Key

OYYVPTHZSQQGLI-CQSZACIVSA-N

Formula

C16H27NO4

SMILES

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

Molecular Weight¹

297.39

• 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°	-55.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-514.30	kJ/mol	Joback Calculated Property
ΔfusH°	41.72	kJ/mol	Joback Calculated Property
ΔvapH°	70.65	kJ/mol	Joback Calculated Property
log10WS	-3.46		Crippen Calculated Property
logPoct/wat	2.836		Crippen Calculated Property
McVol	252.560	ml/mol	McGowan Calculated Property
Pc	1600.00	kPa	Joback Calculated Property
Inp	[1800.00; 1800.00]
Inp	1800.00		NIST
Inp	1800.00		NIST
Tboil	719.74	K	Joback Calculated Property
Tc	905.68	K	Joback Calculated Property
Tfus	463.84	K	Joback Calculated Property
Vc	0.948	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[725.30; 809.65]	J/mol×K	[719.74; 905.68]
Cp,gas	725.30	J/mol×K	719.74	Joback Calculated Property
Cp,gas	741.52	J/mol×K	750.73	Joback Calculated Property
Cp,gas	756.85	J/mol×K	781.72	Joback Calculated Property
Cp,gas	771.30	J/mol×K	812.71	Joback Calculated Property
Cp,gas	784.91	J/mol×K	843.70	Joback Calculated Property
Cp,gas	797.68	J/mol×K	874.69	Joback Calculated Property
Cp,gas	809.65	J/mol×K	905.68	Joback Calculated Property

Similar Compounds

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

Sources

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

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