Chemical Properties of 1-Aminocyclopentanecarboxylic acid, N-(but-3-yn-1-yloxycarbonyl)-, pentyl ester

InChI

InChI=1S/C16H25NO4/c1-3-5-9-13-20-14(18)16(10-7-8-11-16)17-15(19)21-12-6-4-2/h2H,3,5-13H2,1H3,(H,17,19)

InChI Key

YSXZALIILBJIHY-UHFFFAOYSA-N

Formula

C16H25NO4

SMILES

C#CCCOC(=O)NC1(C(=O)OCCCCC)CCCC1

Molecular Weight¹

295.37

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• 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
ΔfG°	-40.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-442.08	kJ/mol	Joback Calculated Property
ΔfusH°	38.48	kJ/mol	Joback Calculated Property
ΔvapH°	74.92	kJ/mol	Joback Calculated Property
log10WS	-4.21		Crippen Calculated Property
logPoct/wat	2.782		Crippen Calculated Property
McVol	241.700	ml/mol	McGowan Calculated Property
Pc	1930.44	kPa	Joback Calculated Property
Inp	[2013.00; 2013.00]
Inp	2013.00		NIST
Inp	2013.00		NIST
Tboil	773.87	K	Joback Calculated Property
Tc	980.93	K	Joback Calculated Property
Tfus	548.83	K	Joback Calculated Property
Vc	0.915	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[728.45; 821.67]	J/mol×K	[773.87; 980.93]
Cp,gas	728.45	J/mol×K	773.87	Joback Calculated Property
Cp,gas	745.30	J/mol×K	808.38	Joback Calculated Property
Cp,gas	761.49	J/mol×K	842.89	Joback Calculated Property
Cp,gas	777.12	J/mol×K	877.40	Joback Calculated Property
Cp,gas	792.29	J/mol×K	911.91	Joback Calculated Property
Cp,gas	807.11	J/mol×K	946.42	Joback Calculated Property
Cp,gas	821.67	J/mol×K	980.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Aminocyclopentanecarboxylic acid, N-(but-3-yn-1-yloxycarbonyl)-, pentyl ester.

Sources

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

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