Chemical Properties of 1-Aminocyclopentanecarboxylic acid, N-(but-3-en-1-yloxycarbonyl)-, tridecyl ester

InChI

InChI=1S/C24H43NO4/c1-3-5-7-8-9-10-11-12-13-14-17-21-28-22(26)24(18-15-16-19-24)25-23(27)29-20-6-4-2/h4H,2-3,5-21H2,1H3,(H,25,27)

InChI Key

PKNHIKSPLJTSGV-UHFFFAOYSA-N

Formula

C24H43NO4

SMILES

C=CCCOC(O)=NC1(C(=O)OCCCCCCCCCCCCC)CCCC1

Molecular Weight¹

409.60

• 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	1.2167		Relay (1.0) Calculated Property
ΔfG°	-144.93	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-992.22	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	131.62	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-6.17		Relay (1.0) Calculated Property
logPoct/wat	6.660		Crippen Calculated Property
McVol	358.720	ml/mol	McGowan Calculated Property
Pc	956.14	kPa	Joback Calculated Property
Inp	[2760.00; 2760.00]
Inp	2760.00		NIST
Inp	2760.00		NIST
Tboil	677.04	K	Relay (1.0) Calculated Property
Tc	883.56	K	Relay (1.0) Calculated Property
Tfus	334.11	K	Relay (1.0) Calculated Property
Vc	1.295	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1-Aminocyclopentanecarboxylic acid, N-(but-3-en-1-yloxycarbonyl)-, tridecyl 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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