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

InChI

InChI=1S/C26H43NO5/c1-4-5-6-7-8-9-10-11-12-16-19-31-25(28)23(2)27(3)26(29)32-21-20-30-22-24-17-14-13-15-18-24/h13-15,17-18,23H,4-12,16,19-22H2,1-3H3

InChI Key

PHDNOHHGDOQAPJ-UHFFFAOYSA-N

Formula

C26H43NO5

SMILES

CCCCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCOCc1ccccc1

Molecular Weight¹

449.62

• 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°	-184.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-903.01	kJ/mol	Joback Calculated Property
ΔfusH°	63.40	kJ/mol	Joback Calculated Property
ΔvapH°	98.12	kJ/mol	Joback Calculated Property
log10WS	-6.78		Crippen Calculated Property
logPoct/wat	6.124		Crippen Calculated Property
McVol	384.170	ml/mol	McGowan Calculated Property
Pc	917.16	kPa	Joback Calculated Property
Inp	[3082.00; 3082.00]
Inp	3082.00		NIST
Inp	3082.00		NIST
Tboil	1007.96	K	Joback Calculated Property
Tc	1236.38	K	Joback Calculated Property
Tfus	593.22	K	Joback Calculated Property
Vc	1.462	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1318.05; 1394.52]	J/mol×K	[1007.96; 1236.38]
Cp,gas	1318.05	J/mol×K	1007.96	Joback Calculated Property
Cp,gas	1335.00	J/mol×K	1046.03	Joback Calculated Property
Cp,gas	1350.20	J/mol×K	1084.10	Joback Calculated Property
Cp,gas	1363.69	J/mol×K	1122.17	Joback Calculated Property
Cp,gas	1375.53	J/mol×K	1160.24	Joback Calculated Property
Cp,gas	1385.79	J/mol×K	1198.31	Joback Calculated Property
Cp,gas	1394.52	J/mol×K	1236.38	Joback Calculated Property

Similar Compounds

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

Sources

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

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