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

InChI

InChI=1S/C19H29NO5/c1-4-5-9-12-24-18(21)16(2)20(3)19(22)25-14-13-23-15-17-10-7-6-8-11-17/h6-8,10-11,16H,4-5,9,12-15H2,1-3H3

InChI Key

YSGIVPJJGJNTQJ-UHFFFAOYSA-N

Formula

C19H29NO5

SMILES

CCCCCOC(=O)C(C)N(C)C(=O)OCCOCc1ccccc1

Molecular Weight¹

351.44

• 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°	-242.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-758.53	kJ/mol	Joback Calculated Property
ΔfusH°	45.27	kJ/mol	Joback Calculated Property
ΔvapH°	82.54	kJ/mol	Joback Calculated Property
log10WS	-3.85		Crippen Calculated Property
logPoct/wat	3.393		Crippen Calculated Property
McVol	285.540	ml/mol	McGowan Calculated Property
Pc	1445.73	kPa	Joback Calculated Property
Inp	[2409.00; 2409.00]
Inp	2409.00		NIST
Inp	2409.00		NIST
Tboil	847.80	K	Joback Calculated Property
Tc	1049.03	K	Joback Calculated Property
Tfus	514.33	K	Joback Calculated Property
Vc	1.069	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[891.59; 967.92]	J/mol×K	[847.80; 1049.03]
Cp,gas	891.59	J/mol×K	847.80	Joback Calculated Property
Cp,gas	907.25	J/mol×K	881.34	Joback Calculated Property
Cp,gas	921.71	J/mol×K	914.88	Joback Calculated Property
Cp,gas	934.98	J/mol×K	948.41	Joback Calculated Property
Cp,gas	947.09	J/mol×K	981.95	Joback Calculated Property
Cp,gas	958.06	J/mol×K	1015.49	Joback Calculated Property
Cp,gas	967.92	J/mol×K	1049.03	Joback Calculated Property

Similar Compounds

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

Sources

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

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