Chemical Properties of 1-Aminocyclopentanecarboxylic acid, N-(propargyloxycarbonyl)-, isohexyl ester

InChI

InChI=1S/C16H25NO4/c1-4-11-21-15(19)17-16(9-5-6-10-16)14(18)20-12-7-8-13(2)3/h1,13H,5-12H2,2-3H3,(H,17,19)

InChI Key

PRERIQGCXHNQOY-UHFFFAOYSA-N

Formula

C16H25NO4

SMILES

C#CCOC(=O)NC1(C(=O)OCCCC(C)C)CCCC1

Molecular Weight¹

295.37

• ω : Acentric Factor.
• 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).
• 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	0.7340		Relay (... Calculated Property
ΔfG°	-42.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-685.51	kJ/mol	Relay (... Calculated Property
ΔfusH°	34.96	kJ/mol	Joback Calculated Property
ΔvapH°	93.22	kJ/mol	Relay (... Calculated Property
IE	9.01	eV	Relay (... Calculated Property
log10WS	-4.09		Relay (... Calculated Property
logPoct/wat	2.638		Crippen Calculated Property
McVol	241.700	ml/mol	McGowan Calculated Property
Pc	1944.08	kPa	Joback Calculated Property
Inp	[2007.00; 2007.00]
Inp	2007.00		NIST
Inp	2007.00		NIST
Tboil	612.88	K	Relay (... Calculated Property
Tc	822.94	K	Relay (... Calculated Property
Tfus	349.17	K	Relay (... Calculated Property
Vc	0.837	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[728.98; 823.31]	J/mol×K	[773.43; 983.47]
Cp,gas	728.98	J/mol×K	773.43	Joback Calculated Property
Cp,gas	746.08	J/mol×K	808.44	Joback Calculated Property
Cp,gas	762.48	J/mol×K	843.44	Joback Calculated Property
Cp,gas	778.30	J/mol×K	878.45	Joback Calculated Property
Cp,gas	793.64	J/mol×K	913.46	Joback Calculated Property
Cp,gas	808.61	J/mol×K	948.47	Joback Calculated Property
Cp,gas	823.31	J/mol×K	983.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Aminocyclopentanecarboxylic acid, N-(propargyloxycarbonyl)-, isohexyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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