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

InChI

InChI=1S/C14H21NO4/c1-3-5-11-19-13(17)15-14(8-6-7-9-14)12(16)18-10-4-2/h1H,4-11H2,2H3,(H,15,17)

InChI Key

ALHRDTOJBJHDRB-UHFFFAOYSA-N

Formula

C14H21NO4

SMILES

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

Molecular Weight¹

267.32

• 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°	-57.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-400.80	kJ/mol	Joback Calculated Property
ΔfusH°	33.30	kJ/mol	Joback Calculated Property
ΔvapH°	70.47	kJ/mol	Joback Calculated Property
log10WS	-3.38		Crippen Calculated Property
logPoct/wat	2.002		Crippen Calculated Property
McVol	213.520	ml/mol	McGowan Calculated Property
Pc	2302.53	kPa	Joback Calculated Property
Inp	[1835.00; 1835.00]
Inp	1835.00		NIST
Inp	1835.00		NIST
Tboil	728.11	K	Joback Calculated Property
Tc	939.66	K	Joback Calculated Property
Tfus	526.29	K	Joback Calculated Property
Vc	0.803	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[616.88; 703.83]	J/mol×K	[728.11; 939.66]
Cp,gas	616.88	J/mol×K	728.11	Joback Calculated Property
Cp,gas	632.77	J/mol×K	763.37	Joback Calculated Property
Cp,gas	647.96	J/mol×K	798.63	Joback Calculated Property
Cp,gas	662.56	J/mol×K	833.89	Joback Calculated Property
Cp,gas	676.67	J/mol×K	869.15	Joback Calculated Property
Cp,gas	690.39	J/mol×K	904.40	Joback Calculated Property
Cp,gas	703.83	J/mol×K	939.66	Joback Calculated Property

Similar Compounds

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

Sources

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

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