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

InChI

InChI=1S/C16H23NO4/c1-6-8-10-20-15(18)14(12-13(3)4)17(5)16(19)21-11-9-7-2/h1-2,13-14H,8-12H2,3-5H3/t14-/m1/s1

InChI Key

MXKLPCZYUWVQOX-CQSZACIVSA-N

Formula

C16H23NO4

SMILES

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

Molecular Weight¹

293.36

• 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°	168.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-222.40	kJ/mol	Joback Calculated Property
ΔfusH°	44.69	kJ/mol	Joback Calculated Property
ΔvapH°	70.50	kJ/mol	Joback Calculated Property
log10WS	-3.25		Crippen Calculated Property
logPoct/wat	2.059		Crippen Calculated Property
McVol	243.960	ml/mol	McGowan Calculated Property
Pc	1807.70	kPa	Joback Calculated Property
Inp	[1814.00; 1814.00]
Inp	1814.00		NIST
Inp	1814.00		NIST
Tboil	709.86	K	Joback Calculated Property
Tc	903.73	K	Joback Calculated Property
Tfus	510.81	K	Joback Calculated Property
Vc	0.909	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[675.68; 754.71]	J/mol×K	[709.86; 903.73]
Cp,gas	675.68	J/mol×K	709.86	Joback Calculated Property
Cp,gas	690.96	J/mol×K	742.17	Joback Calculated Property
Cp,gas	705.37	J/mol×K	774.48	Joback Calculated Property
Cp,gas	718.92	J/mol×K	806.80	Joback Calculated Property
Cp,gas	731.65	J/mol×K	839.11	Joback Calculated Property
Cp,gas	743.57	J/mol×K	871.42	Joback Calculated Property
Cp,gas	754.71	J/mol×K	903.73	Joback Calculated Property

Similar Compounds

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

Sources

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

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