Chemical Properties of L-Leucine, N-methyl-N-(2-(benzyloxy)ethoxycarbonyl)-, undecyl ester

InChI

InChI=1S/C28H47NO5/c1-5-6-7-8-9-10-11-12-16-19-33-27(30)26(22-24(2)3)29(4)28(31)34-21-20-32-23-25-17-14-13-15-18-25/h13-15,17-18,24,26H,5-12,16,19-23H2,1-4H3/t26-/m1/s1

InChI Key

PIGDPYGLMCUXAH-AREMUKBSSA-N

Formula

C28H47NO5

SMILES

CCCCCCCCCCCOC(=O)C(CC(C)C)N(C)C(=O)OCCOCc1ccccc1

Molecular Weight¹

477.68

• 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	1.2147		Relay (1.0) Calculated Property
ΔfG°	-169.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-1078.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	65.05	kJ/mol	Joback Calculated Property
ΔvapH°	134.37	kJ/mol	Relay (1.0) Calculated Property
IE	8.68	eV	Relay (1.0) Calculated Property
log10WS	-5.92		Relay (1.0) Calculated Property
logPoct/wat	6.760		Crippen Calculated Property
McVol	412.350	ml/mol	McGowan Calculated Property
Pc	822.90	kPa	Joback Calculated Property
Inp	[3105.00; 3105.00]
Inp	3105.00		NIST
Inp	3105.00		NIST
Tboil	703.48	K	Relay (1.0) Calculated Property
Tc	906.21	K	Relay (1.0) Calculated Property
Tfus	284.02	K	Relay (1.0) Calculated Property
Vc	1.513	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1443.86; 1518.50]	J/mol×K	[1053.28; 1297.27]
Cp,gas	1443.86	J/mol×K	1053.28	Joback Calculated Property
Cp,gas	1461.14	J/mol×K	1093.95	Joback Calculated Property
Cp,gas	1476.38	J/mol×K	1134.61	Joback Calculated Property
Cp,gas	1489.65	J/mol×K	1175.28	Joback Calculated Property
Cp,gas	1501.04	J/mol×K	1215.94	Joback Calculated Property
Cp,gas	1510.63	J/mol×K	1256.61	Joback Calculated Property
Cp,gas	1518.50	J/mol×K	1297.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Leucine, N-methyl-N-(2-(benzyloxy)ethoxycarbonyl)-, undecyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.