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

InChI

InChI=1S/C23H29NO6/c1-19(22(25)29-15-13-27-17-20-9-5-3-6-10-20)24(2)23(26)30-16-14-28-18-21-11-7-4-8-12-21/h3-12,19H,13-18H2,1-2H3

InChI Key

DIAMMBHSEGNBBB-UHFFFAOYSA-N

Formula

C23H29NO6

SMILES

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

Molecular Weight¹

415.48

• 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	0.9987		Relay (1.0) Calculated Property
ΔfG°	-201.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-855.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.86	kJ/mol	Joback Calculated Property
ΔvapH°	135.05	kJ/mol	Relay (1.0) Calculated Property
IE	8.50	eV	Relay (1.0) Calculated Property
log10WS	-3.09		Relay (1.0) Calculated Property
logPoct/wat	3.420		Crippen Calculated Property
McVol	324.010	ml/mol	McGowan Calculated Property
Pc	1371.74	kPa	Joback Calculated Property
Inp	[3027.00; 3027.00]
Inp	3027.00		NIST
Inp	3027.00		NIST
Tboil	697.06	K	Relay (1.0) Calculated Property
Tc	946.00	K	Relay (1.0) Calculated Property
Tfus	312.76	K	Relay (1.0) Calculated Property
Vc	1.179	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1055.43; 1107.25]	J/mol×K	[988.42; 1214.41]
Cp,gas	1055.43	J/mol×K	988.42	Joback Calculated Property
Cp,gas	1068.03	J/mol×K	1026.08	Joback Calculated Property
Cp,gas	1078.99	J/mol×K	1063.75	Joback Calculated Property
Cp,gas	1088.36	J/mol×K	1101.41	Joback Calculated Property
Cp,gas	1096.17	J/mol×K	1139.08	Joback Calculated Property
Cp,gas	1102.45	J/mol×K	1176.74	Joback Calculated Property
Cp,gas	1107.25	J/mol×K	1214.41	Joback Calculated Property

Similar Compounds

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

Sources

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

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