Chemical Properties of 1-Aminocyclopentanecarboxylic acid, N-(hexyloxycarbonyl)-, propyl ester

InChI

InChI=1S/C16H29NO4/c1-3-5-6-9-13-21-15(19)17-16(10-7-8-11-16)14(18)20-12-4-2/h3-13H2,1-2H3,(H,17,19)

InChI Key

OBAJDUYHDKRBAG-UHFFFAOYSA-N

Formula

C16H29NO4

SMILES

CCCCCCOC(=O)NC1(C(=O)OCCC)CCCC1

Molecular Weight¹

299.41

• 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°	-263.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-733.98	kJ/mol	Joback Calculated Property
ΔfusH°	35.51	kJ/mol	Joback Calculated Property
ΔvapH°	75.06	kJ/mol	Joback Calculated Property
log10WS	-4.42		Crippen Calculated Property
logPoct/wat	3.559		Crippen Calculated Property
McVol	250.300	ml/mol	McGowan Calculated Property
Pc	1701.90	kPa	Joback Calculated Property
Inp	[2015.00; 2015.00]
Inp	2015.00		NIST
Inp	2015.00		NIST
Tboil	783.75	K	Joback Calculated Property
Tc	982.67	K	Joback Calculated Property
Tfus	501.86	K	Joback Calculated Property
Vc	0.954	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[781.83; 879.54]	J/mol×K	[783.75; 982.67]
Cp,gas	781.83	J/mol×K	783.75	Joback Calculated Property
Cp,gas	799.56	J/mol×K	816.90	Joback Calculated Property
Cp,gas	816.60	J/mol×K	850.06	Joback Calculated Property
Cp,gas	833.03	J/mol×K	883.21	Joback Calculated Property
Cp,gas	848.94	J/mol×K	916.37	Joback Calculated Property
Cp,gas	864.41	J/mol×K	949.52	Joback Calculated Property
Cp,gas	879.54	J/mol×K	982.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Aminocyclopentanecarboxylic acid, N-(hexyloxycarbonyl)-, propyl ester.

Sources

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

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