Chemical Properties of 1-Aminocyclopentanecarboxylic acid, N-(isobutoxycarbonyl)-, pentyl ester

InChI

InChI=1S/C16H29NO4/c1-4-5-8-11-20-14(18)16(9-6-7-10-16)17-15(19)21-12-13(2)3/h13H,4-12H2,1-3H3,(H,17,19)

InChI Key

VJNGQUXZWOPSEI-UHFFFAOYSA-N

Formula

C16H29NO4

SMILES

CCCCCOC(=O)C1(NC(=O)OCC(C)C)CCCC1

Molecular Weight¹

299.41

• 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	0.8243		Relay (... Calculated Property
ΔfG°	-265.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-936.35	kJ/mol	Relay (... Calculated Property
ΔfusH°	31.98	kJ/mol	Joback Calculated Property
ΔvapH°	88.18	kJ/mol	Relay (... Calculated Property
IE	8.94	eV	Relay (... Calculated Property
log10WS	-4.14		Relay (... Calculated Property
logPoct/wat	3.415		Crippen Calculated Property
McVol	250.300	ml/mol	McGowan Calculated Property
Pc	1713.19	kPa	Joback Calculated Property
Inp	[1987.00; 1987.00]
Inp	1987.00		NIST
Inp	1987.00		NIST
Tboil	598.84	K	Relay (... Calculated Property
Tc	804.56	K	Relay (... Calculated Property
Tfus	307.92	K	Relay (... Calculated Property
Vc	0.917	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[782.34; 881.02]	J/mol×K	[783.31; 984.69]
Cp,gas	782.34	J/mol×K	783.31	Joback Calculated Property
Cp,gas	800.29	J/mol×K	816.87	Joback Calculated Property
Cp,gas	817.52	J/mol×K	850.44	Joback Calculated Property
Cp,gas	834.12	J/mol×K	884.00	Joback Calculated Property
Cp,gas	850.17	J/mol×K	917.56	Joback Calculated Property
Cp,gas	865.78	J/mol×K	951.13	Joback Calculated Property
Cp,gas	881.02	J/mol×K	984.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Aminocyclopentanecarboxylic acid, N-(isobutoxycarbonyl)-, pentyl ester.

Sources

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

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