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

InChI

InChI=1S/C16H27NO4/c1-3-5-9-13-20-14(18)16(10-7-8-11-16)17-15(19)21-12-6-4-2/h4H,2-3,5-13H2,1H3,(H,17,19)

InChI Key

FQAHSJZLTFGGQK-UHFFFAOYSA-N

Formula

C16H27NO4

SMILES

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

Molecular Weight¹

297.39

• 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	0.8006		Relay (... Calculated Property
ΔfG°	-175.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-822.98	kJ/mol	Relay (... Calculated Property
ΔfusH°	34.23	kJ/mol	Joback Calculated Property
ΔvapH°	91.09	kJ/mol	Relay (... Calculated Property
IE	8.92	eV	Relay (... Calculated Property
log10WS	-3.84		Relay (... Calculated Property
logPoct/wat	3.335		Crippen Calculated Property
McVol	246.000	ml/mol	McGowan Calculated Property
Pc	1762.45	kPa	Joback Calculated Property
Inp	[1989.00; 1989.00]
Inp	1989.00		NIST
Inp	1989.00		NIST
Tboil	615.88	K	Relay (... Calculated Property
Tc	819.51	K	Relay (... Calculated Property
Tfus	289.11	K	Relay (... Calculated Property
Vc	0.870	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[755.72; 850.81]	J/mol×K	[780.43; 981.61]
Cp,gas	755.72	J/mol×K	780.43	Joback Calculated Property
Cp,gas	772.94	J/mol×K	813.96	Joback Calculated Property
Cp,gas	789.49	J/mol×K	847.49	Joback Calculated Property
Cp,gas	805.46	J/mol×K	881.02	Joback Calculated Property
Cp,gas	820.94	J/mol×K	914.55	Joback Calculated Property
Cp,gas	836.02	J/mol×K	948.08	Joback Calculated Property
Cp,gas	850.81	J/mol×K	981.61	Joback Calculated Property

Similar Compounds

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

Sources

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

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