Chemical Properties of D-Alanine, N-allyloxycarbonyl-, decyl ester

InChI

InChI=1S/C17H31NO4/c1-4-6-7-8-9-10-11-12-14-21-16(19)15(3)18-17(20)22-13-5-2/h5,15H,2,4,6-14H2,1,3H3,(H,18,20)

InChI Key

CLMCSPWIXNDEFR-UHFFFAOYSA-N

Formula

C17H31NO4

SMILES

C=CCOC(O)=NC(C)C(=O)OCCCCCCCCCC

Molecular Weight¹

313.43

• 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	-730.88	kJ/mol	Joback Calculated Property
ΔvapH°	84.02	kJ/mol	Joback Calculated Property
log10WS	-4.33		Crippen Calculated Property
logPoct/wat	4.175		Crippen Calculated Property
McVol	270.950	ml/mol	McGowan Calculated Property
Pc	1294.86	kPa	Joback Calculated Property
Inp	[2131.00; 2131.00]
Inp	2131.00		NIST
Inp	2131.00		NIST
Tboil	852.05	K	Joback Calculated Property
Tc	1045.38	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to D-Alanine, N-allyloxycarbonyl-, decyl ester.

Sources

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

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