Chemical Properties of «beta»-Alanine, N-allyloxycarbonyl-, pentadecyl ester

InChI

InChI=1S/C22H41NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-26-21(24)17-18-23-22(25)27-19-4-2/h4H,2-3,5-20H2,1H3,(H,23,25)

InChI Key

ORTILSPGRBKJIG-UHFFFAOYSA-N

Formula

C22H41NO4

SMILES

C=CCOC(O)=NCCC(=O)OCCCCCCCCCCCCCCC

Molecular Weight¹

383.57

• 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	-828.80	kJ/mol	Joback Calculated Property
ΔvapH°	95.53	kJ/mol	Joback Calculated Property
log10WS	-6.31		Crippen Calculated Property
logPoct/wat	6.128		Crippen Calculated Property
McVol	341.400	ml/mol	McGowan Calculated Property
Pc	936.92	kPa	Joback Calculated Property
Inp	[2778.00; 2778.00]
Inp	2778.00		NIST
Inp	2778.00		NIST
Tboil	966.89	K	Joback Calculated Property
Tc	1188.98	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, N-allyloxycarbonyl-, pentadecyl ester.

Sources

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

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