Chemical Properties of l-Leucine, n-butoxycarbonyl-N-methyl-, undecyl ester

InChI

InChI=1S/C23H45NO4/c1-6-8-10-11-12-13-14-15-16-18-27-22(25)21(19-20(3)4)24(5)23(26)28-17-9-7-2/h20-21H,6-19H2,1-5H3

InChI Key

QDNMDMSGKLNXQV-UHFFFAOYSA-N

Formula

C23H45NO4

SMILES

CCCCCCCCCCCOC(=O)C(CC(C)C)N(C)C(=O)OCCCC

Molecular Weight¹

399.61

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.0747		Relay (1.0) Calculated Property
ΔfG°	-219.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-1090.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.88	kJ/mol	Joback Calculated Property
ΔvapH°	110.05	kJ/mol	Relay (1.0) Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
log10WS	-5.68		Relay (1.0) Calculated Property
logPoct/wat	6.344		Crippen Calculated Property
McVol	359.790	ml/mol	McGowan Calculated Property
Pc	907.24	kPa	Joback Calculated Property
Inp	[2484.00; 2484.00]
Inp	2484.00		NIST
Inp	2484.00		NIST
Tboil	632.05	K	Relay (1.0) Calculated Property
Tc	811.15	K	Relay (1.0) Calculated Property
Tfus	263.68	K	Relay (1.0) Calculated Property
Vc	1.352	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1199.76; 1298.73]	J/mol×K	[889.78; 1089.53]
Cp,gas	1199.76	J/mol×K	889.78	Joback Calculated Property
Cp,gas	1219.52	J/mol×K	923.07	Joback Calculated Property
Cp,gas	1237.93	J/mol×K	956.36	Joback Calculated Property
Cp,gas	1255.02	J/mol×K	989.65	Joback Calculated Property
Cp,gas	1270.82	J/mol×K	1022.95	Joback Calculated Property
Cp,gas	1285.38	J/mol×K	1056.24	Joback Calculated Property
Cp,gas	1298.73	J/mol×K	1089.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Leucine, n-butoxycarbonyl-N-methyl-, undecyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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