Chemical Properties of 1-Aminocyclopentanecarboxylic acid, N-(but-3-en-1-yloxycarbonyl)-, hexyl ester

InChI

InChI=1S/C17H29NO4/c1-3-5-7-10-14-21-15(19)17(11-8-9-12-17)18-16(20)22-13-6-4-2/h4H,2-3,5-14H2,1H3,(H,18,20)

InChI Key

GVVKLZNFNBTIOQ-UHFFFAOYSA-N

Formula

C17H29NO4

SMILES

C=CCCOC(=O)NC1(C(=O)OCCCCCC)CCCC1

Molecular Weight¹

311.42

• 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°	-167.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-629.19	kJ/mol	Joback Calculated Property
ΔfusH°	36.82	kJ/mol	Joback Calculated Property
ΔvapH°	76.62	kJ/mol	Joback Calculated Property
log10WS	-4.69		Crippen Calculated Property
logPoct/wat	3.725		Crippen Calculated Property
McVol	260.090	ml/mol	McGowan Calculated Property
Pc	1628.54	kPa	Joback Calculated Property
Inp	[2085.00; 2085.00]
Inp	2085.00		NIST
Inp	2085.00		NIST
Tboil	803.31	K	Joback Calculated Property
Tc	1003.80	K	Joback Calculated Property
Tfus	511.37	K	Joback Calculated Property
Vc	0.991	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[814.02; 912.15]	J/mol×K	[803.31; 1003.80]
Cp,gas	814.02	J/mol×K	803.31	Joback Calculated Property
Cp,gas	831.71	J/mol×K	836.73	Joback Calculated Property
Cp,gas	848.74	J/mol×K	870.14	Joback Calculated Property
Cp,gas	865.20	J/mol×K	903.56	Joback Calculated Property
Cp,gas	881.19	J/mol×K	936.97	Joback Calculated Property
Cp,gas	896.81	J/mol×K	970.39	Joback Calculated Property
Cp,gas	912.15	J/mol×K	1003.80	Joback Calculated Property

Similar Compounds

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

Sources

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

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