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

InChI

InChI=1S/C20H31NO5/c1-4-5-6-10-13-25-19(22)17(2)21(3)20(23)26-15-14-24-16-18-11-8-7-9-12-18/h7-9,11-12,17H,4-6,10,13-16H2,1-3H3

InChI Key

XOXZBNVLJVABFX-UHFFFAOYSA-N

Formula

C20H31NO5

SMILES

CCCCCCOC(=O)C(C)N(C)C(=O)OCCOCc1ccccc1

Molecular Weight¹

365.46

• 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°	-234.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-779.17	kJ/mol	Joback Calculated Property
ΔfusH°	47.86	kJ/mol	Joback Calculated Property
ΔvapH°	84.77	kJ/mol	Joback Calculated Property
log10WS	-4.26		Crippen Calculated Property
logPoct/wat	3.784		Crippen Calculated Property
McVol	299.630	ml/mol	McGowan Calculated Property
Pc	1345.70	kPa	Joback Calculated Property
Inp	[2501.00; 2501.00]
Inp	2501.00		NIST
Inp	2501.00		NIST
Tboil	870.68	K	Joback Calculated Property
Tc	1073.15	K	Joback Calculated Property
Tfus	525.60	K	Joback Calculated Property
Vc	1.125	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[950.82; 1027.42]	J/mol×K	[870.68; 1073.15]
Cp,gas	950.82	J/mol×K	870.68	Joback Calculated Property
Cp,gas	966.65	J/mol×K	904.43	Joback Calculated Property
Cp,gas	981.21	J/mol×K	938.17	Joback Calculated Property
Cp,gas	994.55	J/mol×K	971.92	Joback Calculated Property
Cp,gas	1006.68	J/mol×K	1005.66	Joback Calculated Property
Cp,gas	1017.63	J/mol×K	1039.41	Joback Calculated Property
Cp,gas	1027.42	J/mol×K	1073.15	Joback Calculated Property

Similar Compounds

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

Sources

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

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