Chemical Properties of «beta»-Alanine, N-(3-cyclopentylpropionyl)-, ethyl ester

InChI

InChI=1S/C13H23NO3/c1-2-17-13(16)9-10-14-12(15)8-7-11-5-3-4-6-11/h11H,2-10H2,1H3,(H,14,15)

InChI Key

BKSMZXSKVQDARR-UHFFFAOYSA-N

Formula

C13H23NO3

SMILES

CCOC(=O)CCNC(=O)CCC1CCCC1

Molecular Weight¹

241.33

• 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	0.6929		Relay (1.0) Calculated Property
ΔfG°	-178.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-728.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.85	kJ/mol	Joback Calculated Property
ΔvapH°	86.99	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-2.37		Relay (1.0) Calculated Property
logPoct/wat	2.026		Crippen Calculated Property
McVol	202.160	ml/mol	McGowan Calculated Property
Pc	2135.43	kPa	Joback Calculated Property
Inp	[1943.00; 1943.00]
Inp	1943.00		NIST
Inp	1943.00		NIST
Tboil	593.69	K	Relay (1.0) Calculated Property
Tc	796.68	K	Relay (1.0) Calculated Property
Tfus	294.90	K	Relay (1.0) Calculated Property
Vc	0.730	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[587.97; 673.33]	J/mol×K	[692.45; 891.13]
Cp,gas	587.97	J/mol×K	692.45	Joback Calculated Property
Cp,gas	604.57	J/mol×K	725.56	Joback Calculated Property
Cp,gas	620.18	J/mol×K	758.68	Joback Calculated Property
Cp,gas	634.84	J/mol×K	791.79	Joback Calculated Property
Cp,gas	648.57	J/mol×K	824.90	Joback Calculated Property
Cp,gas	661.39	J/mol×K	858.02	Joback Calculated Property
Cp,gas	673.33	J/mol×K	891.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, N-(3-cyclopentylpropionyl)-, ethyl ester.

Sources

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

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