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

InChI

InChI=1S/C18H27NO5/c1-4-5-11-23-17(20)15(2)19(3)18(21)24-13-12-22-14-16-9-7-6-8-10-16/h6-10,15H,4-5,11-14H2,1-3H3

InChI Key

BTUSMTZVYYIQKC-UHFFFAOYSA-N

Formula

C18H27NO5

SMILES

CCCCOC(=O)C(C)N(C)C(=O)OCCOCc1ccccc1

Molecular Weight¹

337.41

• 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	0.8843		Relay (1.0) Calculated Property
ΔfG°	-251.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-870.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.68	kJ/mol	Joback Calculated Property
ΔvapH°	103.15	kJ/mol	Relay (1.0) Calculated Property
IE	8.56	eV	Relay (1.0) Calculated Property
log10WS	-2.46		Relay (1.0) Calculated Property
logPoct/wat	3.003		Crippen Calculated Property
McVol	271.450	ml/mol	McGowan Calculated Property
Pc	1557.35	kPa	Joback Calculated Property
Inp	[2319.00; 2319.00]
Inp	2319.00		NIST
Inp	2319.00		NIST
Tboil	630.55	K	Relay (1.0) Calculated Property
Tc	838.36	K	Relay (1.0) Calculated Property
Tfus	270.81	K	Relay (1.0) Calculated Property
Vc	0.993	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[833.08; 909.02]	J/mol×K	[824.92; 1025.63]
Cp,gas	833.08	J/mol×K	824.92	Joback Calculated Property
Cp,gas	848.57	J/mol×K	858.37	Joback Calculated Property
Cp,gas	862.91	J/mol×K	891.82	Joback Calculated Property
Cp,gas	876.10	J/mol×K	925.27	Joback Calculated Property
Cp,gas	888.17	J/mol×K	958.73	Joback Calculated Property
Cp,gas	899.14	J/mol×K	992.18	Joback Calculated Property
Cp,gas	909.02	J/mol×K	1025.63	Joback Calculated Property

Similar Compounds

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

Sources

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

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