Chemical Properties of 2-Aminopent-4-enoic acid, N-(but-2-yn-1-yloxycarbonyl)-, octyl ester

InChI

InChI=1S/C18H29NO4/c1-4-7-9-10-11-12-15-22-17(20)16(13-6-3)19-18(21)23-14-8-5-2/h6,16H,3-4,7,9-15H2,1-2H3,(H,19,21)

InChI Key

SNCLXLDSZSQDGP-UHFFFAOYSA-N

Formula

C18H29NO4

SMILES

C=CCC(N=C(O)OCC#CC)C(=O)OCCCCCCCC

Molecular Weight¹

323.43

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9600		Relay (... Calculated Property
ΔfG°	-71.65	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-678.40	kJ/mol	Relay (... Calculated Property
ΔvapH°	107.88	kJ/mol	Relay (... Calculated Property
IE	8.91	eV	Relay (... Calculated Property
log10WS	-4.27		Relay (... Calculated Property
logPoct/wat	3.789		Crippen Calculated Property
McVol	276.440	ml/mol	McGowan Calculated Property
Pc	1356.63	kPa	Joback Calculated Property
Inp	[2262.00; 2262.00]
Inp	2262.00		NIST
Inp	2262.00		NIST
Tboil	616.41	K	Relay (... Calculated Property
Tc	810.88	K	Relay (... Calculated Property
Tfus	315.58	K	Relay (... Calculated Property
Vc	0.954	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 2-Aminopent-4-enoic acid, N-(but-2-yn-1-yloxycarbonyl)-, octyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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