Chemical Properties of 1-Aminocyclopentanecarboxylic acid, N-(hexyloxycarbonyl)-, butyl ester

InChI

InChI=1S/C17H31NO4/c1-3-5-7-10-14-22-16(20)18-17(11-8-9-12-17)15(19)21-13-6-4-2/h3-14H2,1-2H3,(H,18,20)

InChI Key

LXUXSULROVTLFX-UHFFFAOYSA-N

Formula

C17H31NO4

SMILES

CCCCCCOC(O)=NC1(C(=O)OCCCC)CCCC1

Molecular Weight¹

313.43

• 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	1.0131		Relay (1.0) Calculated Property
ΔfG°	-278.17	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-950.00	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	106.38	kJ/mol	Relay (1.0) Calculated Property
IE	9.06	eV	Relay (1.0) Calculated Property
log10WS	-4.22		Relay (1.0) Calculated Property
logPoct/wat	4.153		Crippen Calculated Property
McVol	264.390	ml/mol	McGowan Calculated Property
Pc	1474.75	kPa	Joback Calculated Property
Inp	[2100.00; 2100.00]
Inp	2100.00		NIST
Inp	2100.00		NIST
Tboil	604.46	K	Relay (1.0) Calculated Property
Tc	820.91	K	Relay (1.0) Calculated Property
Tfus	322.18	K	Relay (1.0) Calculated Property
Vc	0.964	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1-Aminocyclopentanecarboxylic acid, N-(hexyloxycarbonyl)-, butyl 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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