Chemical Properties of 1-Aminocyclopentanecarboxylic acid, N-hexyloxycarbonyl-, nonyl ester

InChI

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

InChI Key

IXVCTPGJZQTWPU-UHFFFAOYSA-N

Formula

C22H41NO4

SMILES

CCCCCCCCCOC(=O)C1(N=C(O)OCCCCCC)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	[2652.00; 2652.00]
Inp	2652.00		NIST
Inp	2652.00		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-hexyloxycarbonyl-, nonyl ester.

Sources

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

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