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

InChI

InChI=1S/C15H27NO4/c1-4-5-10-19-13(17)15(8-6-7-9-15)16-14(18)20-11-12(2)3/h12H,4-11H2,1-3H3,(H,16,18)

InChI Key

VZJJNEHUHXDGPS-UHFFFAOYSA-N

Formula

C15H27NO4

SMILES

CCCCOC(=O)C1(N=C(O)OCC(C)C)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	0.9061		Relay (1.0) Calculated Property
ΔfG°	-300.94	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-923.94	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	95.78	kJ/mol	Relay (1.0) Calculated Property
IE	9.06	eV	Relay (1.0) Calculated Property
log10WS	-3.43		Relay (1.0) Calculated Property
logPoct/wat	3.229		Crippen Calculated Property
McVol	236.210	ml/mol	McGowan Calculated Property
Pc	1730.34	kPa	Joback Calculated Property
Inp	[1896.00; 1896.00]
Inp	1896.00		NIST
Inp	1896.00		NIST
Tboil	590.65	K	Relay (1.0) Calculated Property
Tc	790.53	K	Relay (1.0) Calculated Property
Tfus	314.83	K	Relay (1.0) Calculated Property
Vc	0.853	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.