Chemical Properties of D-Alanine, N-ethoxycarbonyl-, heptadecyl ester

InChI

InChI=1S/C23H45NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-22(25)21(3)24-23(26)27-5-2/h21H,4-20H2,1-3H3,(H,24,26)

InChI Key

GWCLXJQNIJHARS-UHFFFAOYSA-N

Formula

C23H45NO4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)OCC

Molecular Weight¹

399.61

• 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°	-238.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-959.46	kJ/mol	Joback Calculated Property
ΔfusH°	62.48	kJ/mol	Joback Calculated Property
ΔvapH°	91.15	kJ/mol	Joback Calculated Property
log10WS	-7.45		Crippen Calculated Property
logPoct/wat	6.536		Crippen Calculated Property
McVol	359.790	ml/mol	McGowan Calculated Property
Pc	911.08	kPa	Joback Calculated Property
Inp	[2721.00; 2721.00]
Inp	2721.00		NIST
Inp	2721.00		NIST
Tboil	927.95	K	Joback Calculated Property
Tc	1137.94	K	Joback Calculated Property
Tfus	530.95	K	Joback Calculated Property
Vc	1.401	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1220.46; 1314.31]	J/mol×K	[927.95; 1137.94]
Cp,gas	1220.46	J/mol×K	927.95	Joback Calculated Property
Cp,gas	1239.66	J/mol×K	962.95	Joback Calculated Property
Cp,gas	1257.39	J/mol×K	997.95	Joback Calculated Property
Cp,gas	1273.68	J/mol×K	1032.94	Joback Calculated Property
Cp,gas	1288.57	J/mol×K	1067.94	Joback Calculated Property
Cp,gas	1302.11	J/mol×K	1102.94	Joback Calculated Property
Cp,gas	1314.31	J/mol×K	1137.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to D-Alanine, N-ethoxycarbonyl-, heptadecyl ester.

Sources

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

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