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

InChI

InChI=1S/C21H23NO4/c23-19(25-15-17-9-3-1-4-10-17)21(13-7-8-14-21)22-20(24)26-16-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,22,24)

InChI Key

YJNOHNQHJVAPTD-UHFFFAOYSA-N

Formula

C21H23NO4

SMILES

O=C(OCc1ccccc1)C1(N=C(O)OCc2ccccc2)CCCC1

Molecular Weight¹

353.41

• 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	-384.81	kJ/mol	Joback Calculated Property
ΔvapH°	97.64	kJ/mol	Joback Calculated Property
log10WS	-5.24		Crippen Calculated Property
logPoct/wat	4.173		Crippen Calculated Property
McVol	273.230	ml/mol	McGowan Calculated Property
Pc	1848.33	kPa	Joback Calculated Property
Inp	[2850.00; 2850.00]
Inp	2850.00		NIST
Inp	2850.00		NIST
Tboil	1016.21	K	Joback Calculated Property
Tc	1261.81	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Aminocyclopentanecarboxylic acid, N-(benzyloxycarbonyl)-, benzyl ester.

Sources

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

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