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

InChI

InChI=1S/C15H27NO4/c1-3-5-6-7-8-9-13-19-14(17)10-11-16-15(18)20-12-4-2/h4H,2-3,5-13H2,1H3,(H,16,18)

InChI Key

HCHFINCKDLABDU-UHFFFAOYSA-N

Formula

C15H27NO4

SMILES

C=CCOC(O)=NCCC(=O)OCCCCCCCC

Molecular Weight¹

285.38

• 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	-684.32	kJ/mol	Joback Calculated Property
ΔvapH°	79.95	kJ/mol	Joback Calculated Property
log10WS	-3.38		Crippen Calculated Property
logPoct/wat	3.397		Crippen Calculated Property
McVol	242.770	ml/mol	McGowan Calculated Property
Pc	1485.00	kPa	Joback Calculated Property
Inp	[2055.00; 2055.00]
Inp	2055.00		NIST
Inp	2055.00		NIST
Tboil	806.73	K	Joback Calculated Property
Tc	994.03	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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