Chemical Properties of 1-Aminocyclopentanecarboxylic acid, N-ethoxycarbonyl-, tridecyl ester

InChI

InChI=1S/C22H41NO4/c1-3-5-6-7-8-9-10-11-12-13-16-19-27-20(24)22(17-14-15-18-22)23-21(25)26-4-2/h3-19H2,1-2H3,(H,23,25)

InChI Key

ZIKAOODHUQYCEN-UHFFFAOYSA-N

Formula

C22H41NO4

SMILES

CCCCCCCCCCCCCOC(=O)C1(N=C(O)OCC)CCCC1

Molecular Weight¹

383.57

• 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	-878.51	kJ/mol	Joback Calculated Property
ΔvapH°	95.31	kJ/mol	Joback Calculated Property
log10WS	-6.47		Crippen Calculated Property
logPoct/wat	6.104		Crippen Calculated Property
McVol	334.840	ml/mol	McGowan Calculated Property
Pc	1051.41	kPa	Joback Calculated Property
Inp	[2432.00; 2432.00]
Inp	2432.00		NIST
Inp	2432.00		NIST
Tboil	985.73	K	Joback Calculated Property
Tc	1207.32	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Aminocyclopentanecarboxylic acid, N-ethoxycarbonyl-, tridecyl ester.

Sources

• 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.