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

InChI

InChI=1S/C25H41NO5/c1-4-5-6-7-8-9-10-11-15-18-30-24(27)22(2)26(3)25(28)31-20-19-29-21-23-16-13-12-14-17-23/h12-14,16-17,22H,4-11,15,18-21H2,1-3H3

InChI Key

KJSYYUFUYSKMCD-UHFFFAOYSA-N

Formula

C25H41NO5

SMILES

CCCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCOCc1ccccc1

Molecular Weight¹

435.60

• 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	1.1534		Relay (1.0) Calculated Property
ΔfG°	-192.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-1016.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.81	kJ/mol	Joback Calculated Property
ΔvapH°	128.29	kJ/mol	Relay (1.0) Calculated Property
IE	8.64	eV	Relay (1.0) Calculated Property
log10WS	-5.07		Relay (1.0) Calculated Property
logPoct/wat	5.734		Crippen Calculated Property
McVol	370.080	ml/mol	McGowan Calculated Property
Pc	972.91	kPa	Joback Calculated Property
Inp	[2979.00; 2979.00]
Inp	2979.00		NIST
Inp	2979.00		NIST
Tboil	679.61	K	Relay (1.0) Calculated Property
Tc	891.05	K	Relay (1.0) Calculated Property
Tfus	294.78	K	Relay (1.0) Calculated Property
Vc	1.373	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1255.72; 1332.40]	J/mol×K	[985.08; 1206.64]
Cp,gas	1255.72	J/mol×K	985.08	Joback Calculated Property
Cp,gas	1272.45	J/mol×K	1022.01	Joback Calculated Property
Cp,gas	1287.53	J/mol×K	1058.93	Joback Calculated Property
Cp,gas	1301.01	J/mol×K	1095.86	Joback Calculated Property
Cp,gas	1312.96	J/mol×K	1132.78	Joback Calculated Property
Cp,gas	1323.40	J/mol×K	1169.71	Joback Calculated Property
Cp,gas	1332.40	J/mol×K	1206.64	Joback Calculated Property

Similar Compounds

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

Sources

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

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