Chemical Properties of 2-Aminopent-4-enoic acid, N-hexyloxycarbonyl-, hexyl ester

InChI

InChI=1S/C18H33NO4/c1-4-7-9-11-14-22-17(20)16(13-6-3)19-18(21)23-15-12-10-8-5-2/h6,16H,3-5,7-15H2,1-2H3,(H,19,21)

InChI Key

JCMGOMLZDMPTJC-UHFFFAOYSA-N

Formula

C18H33NO4

SMILES

C=CCC(N=C(O)OCCCCCC)C(=O)OCCCCCC

Molecular Weight¹

327.46

• 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	-751.52	kJ/mol	Joback Calculated Property
ΔvapH°	86.24	kJ/mol	Joback Calculated Property
log10WS	-4.75		Crippen Calculated Property
logPoct/wat	4.566		Crippen Calculated Property
McVol	285.040	ml/mol	McGowan Calculated Property
Pc	1209.83	kPa	Joback Calculated Property
Inp	[2146.00; 2146.00]
Inp	2146.00		NIST
Inp	2146.00		NIST
Tboil	874.93	K	Joback Calculated Property
Tc	1071.85	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Aminopent-4-enoic acid, N-hexyloxycarbonyl-, hexyl ester.

Sources

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

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