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

InChI

InChI=1S/C26H47NO4/c1-6-8-10-11-12-13-14-15-16-17-18-19-21-30-25(28)24(22-23(3)4)27(5)26(29)31-20-9-7-2/h2,23-24H,6,8-22H2,1,3-5H3/t24-/m1/s1

InChI Key

QMBQLQVVILWYOI-XMMPIXPASA-N

Formula

C26H47NO4

SMILES

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

Molecular Weight¹

437.66

• 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°	29.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-720.70	kJ/mol	Joback Calculated Property
ΔfusH°	67.62	kJ/mol	Joback Calculated Property
ΔvapH°	92.91	kJ/mol	Joback Calculated Property
log10WS	-7.64		Crippen Calculated Property
logPoct/wat	6.737		Crippen Calculated Property
McVol	393.460	ml/mol	McGowan Calculated Property
Pc	835.31	kPa	Joback Calculated Property
Inp	[2733.00; 2733.00]
Inp	2733.00		NIST
Inp	2733.00		NIST
Tboil	948.54	K	Joback Calculated Property
Tc	1163.59	K	Joback Calculated Property
Tfus	576.54	K	Joback Calculated Property
Vc	1.508	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1329.01; 1427.45]	J/mol×K	[948.54; 1163.59]
Cp,gas	1329.01	J/mol×K	948.54	Joback Calculated Property
Cp,gas	1348.94	J/mol×K	984.38	Joback Calculated Property
Cp,gas	1367.38	J/mol×K	1020.22	Joback Calculated Property
Cp,gas	1384.39	J/mol×K	1056.07	Joback Calculated Property
Cp,gas	1400.03	J/mol×K	1091.91	Joback Calculated Property
Cp,gas	1414.36	J/mol×K	1127.75	Joback Calculated Property
Cp,gas	1427.45	J/mol×K	1163.59	Joback Calculated Property

Similar Compounds

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

Sources

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

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