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

InChI

InChI=1S/C21H41NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-26-20(23)19(3)22-21(24)25-5-2/h19H,4-18H2,1-3H3,(H,22,24)

InChI Key

YQJOLBSIXZMEGP-UHFFFAOYSA-N

Formula

C21H41NO4

SMILES

CCCCCCCCCCCCCCCOC(=O)C(C)N=C(O)OCC

Molecular Weight¹

371.55

• Δ_fH°_gas : Enthalpy of formation 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-938.87	kJ/mol	Joback Calculated Property
ΔvapH°	93.59	kJ/mol	Joback Calculated Property
log10WS	-6.15		Crippen Calculated Property
logPoct/wat	5.960		Crippen Calculated Property
McVol	331.610	ml/mol	McGowan Calculated Property
Pc	973.52	kPa	Joback Calculated Property
Inp	[2525.00; 2525.00]
Inp	2525.00		NIST
Inp	2525.00		NIST
Tboil	946.89	K	Joback Calculated Property
Tc	1161.84	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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