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

InChI

InChI=1S/C24H47NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29-23(26)22(3)25-24(27)28-5-2/h22H,4-21H2,1-3H3,(H,25,27)

InChI Key

CYVHHUWKEOYDRW-UHFFFAOYSA-N

Formula

C24H47NO4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(C)N=C(O)OCC

Molecular Weight¹

413.63

• 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	-1000.79	kJ/mol	Joback Calculated Property
ΔvapH°	100.27	kJ/mol	Joback Calculated Property
log10WS	-7.41		Crippen Calculated Property
logPoct/wat	7.130		Crippen Calculated Property
McVol	373.880	ml/mol	McGowan Calculated Property
Pc	819.60	kPa	Joback Calculated Property
Inp	[2819.00; 2819.00]
Inp	2819.00		NIST
Inp	2819.00		NIST
Tboil	1015.53	K	Joback Calculated Property
Tc	1258.49	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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