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

InChI

InChI=1S/C15H27NO4/c1-3-5-8-12-19-13(17)15(9-6-7-10-15)16-14(18)20-11-4-2/h3-12H2,1-2H3,(H,16,18)

InChI Key

CPDSDLRYZMJWJQ-UHFFFAOYSA-N

Formula

C15H27NO4

SMILES

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

Molecular Weight¹

285.38

• 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	0.9398		Relay (1.0) Calculated Property
ΔfG°	-297.64	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-908.16	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	97.17	kJ/mol	Relay (1.0) Calculated Property
IE	9.06	eV	Relay (1.0) Calculated Property
log10WS	-3.59		Relay (1.0) Calculated Property
logPoct/wat	3.373		Crippen Calculated Property
McVol	236.210	ml/mol	McGowan Calculated Property
Pc	1718.88	kPa	Joback Calculated Property
Inp	[1933.00; 1933.00]
Inp	1933.00		NIST
Inp	1933.00		NIST
Tboil	591.43	K	Relay (1.0) Calculated Property
Tc	799.46	K	Relay (1.0) Calculated Property
Tfus	319.38	K	Relay (1.0) Calculated Property
Vc	0.854	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

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