Chemical Properties of 1-Aminocyclopentanecarboxylic acid, N-(benzyloxycarbonyl)-, pentyl ester

InChI

InChI=1S/C19H27NO4/c1-2-3-9-14-23-17(21)19(12-7-8-13-19)20-18(22)24-15-16-10-5-4-6-11-16/h4-6,10-11H,2-3,7-9,12-15H2,1H3,(H,20,22)

InChI Key

RZHJUWSCYZKDBS-UHFFFAOYSA-N

Formula

C19H27NO4

SMILES

CCCCCOC(=O)C1(N=C(O)OCc2ccccc2)CCCC1

Molecular Weight¹

333.42

• 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	0.9778		Relay (1.0) Calculated Property
ΔfG°	-161.80	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-729.25	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	115.39	kJ/mol	Relay (1.0) Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	-4.20		Relay (1.0) Calculated Property
logPoct/wat	4.163		Crippen Calculated Property
McVol	268.810	ml/mol	McGowan Calculated Property
Pc	1645.76	kPa	Joback Calculated Property
Inp	[2473.00; 2473.00]
Inp	2473.00		NIST
Inp	2473.00		NIST
Tboil	638.94	K	Relay (1.0) Calculated Property
Tc	889.67	K	Relay (1.0) Calculated Property
Tfus	350.27	K	Relay (1.0) Calculated Property
Vc	0.958	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1-Aminocyclopentanecarboxylic acid, N-(benzyloxycarbonyl)-, pentyl 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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