Chemical Properties of DL-Alanine, N-methyl-N-(2-benzyloxyethoxycarbonyl)-, decyl ester

InChI

InChI=1S/C24H39NO5/c1-4-5-6-7-8-9-10-14-17-29-23(26)21(2)25(3)24(27)30-19-18-28-20-22-15-12-11-13-16-22/h11-13,15-16,21H,4-10,14,17-20H2,1-3H3

InChI Key

VBJGABJCXGDEBF-UHFFFAOYSA-N

Formula

C24H39NO5

SMILES

CCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCOCc1ccccc1

Molecular Weight¹

421.57

• 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	1.1169		Relay (1.0) Calculated Property
ΔfG°	-200.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-995.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.22	kJ/mol	Joback Calculated Property
ΔvapH°	124.36	kJ/mol	Relay (1.0) Calculated Property
IE	8.62	eV	Relay (1.0) Calculated Property
log10WS	-4.73		Relay (1.0) Calculated Property
logPoct/wat	5.344		Crippen Calculated Property
McVol	355.990	ml/mol	McGowan Calculated Property
Pc	1033.90	kPa	Joback Calculated Property
Inp	[2876.00; 2876.00]
Inp	2876.00		NIST
Inp	2876.00		NIST
Tboil	672.78	K	Relay (1.0) Calculated Property
Tc	884.42	K	Relay (1.0) Calculated Property
Tfus	291.73	K	Relay (1.0) Calculated Property
Vc	1.319	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1193.78; 1270.58]	J/mol×K	[962.20; 1178.01]
Cp,gas	1193.78	J/mol×K	962.20	Joback Calculated Property
Cp,gas	1210.29	J/mol×K	998.17	Joback Calculated Property
Cp,gas	1225.26	J/mol×K	1034.14	Joback Calculated Property
Cp,gas	1238.74	J/mol×K	1070.10	Joback Calculated Property
Cp,gas	1250.75	J/mol×K	1106.07	Joback Calculated Property
Cp,gas	1261.35	J/mol×K	1142.04	Joback Calculated Property
Cp,gas	1270.58	J/mol×K	1178.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(2-benzyloxyethoxycarbonyl)-, decyl ester.

Sources

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

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