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

InChI

InChI=1S/C16H29NO3/c1-2-3-6-13-20-16(19)11-12-17-15(18)10-9-14-7-4-5-8-14/h14H,2-13H2,1H3,(H,17,18)

InChI Key

LNWWNMMMEIYEDE-UHFFFAOYSA-N

Formula

C16H29NO3

SMILES

CCCCCOC(=O)CCNC(=O)CCC1CCCC1

Molecular Weight¹

283.41

• 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°	-153.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-617.00	kJ/mol	Joback Calculated Property
ΔfusH°	40.62	kJ/mol	Joback Calculated Property
ΔvapH°	73.81	kJ/mol	Joback Calculated Property
log10WS	-4.00		Crippen Calculated Property
logPoct/wat	3.196		Crippen Calculated Property
McVol	244.430	ml/mol	McGowan Calculated Property
Pc	1663.26	kPa	Joback Calculated Property
Inp	[2247.00; 2247.00]
Inp	2247.00		NIST
Inp	2247.00		NIST
Tboil	761.09	K	Joback Calculated Property
Tc	955.61	K	Joback Calculated Property
Tfus	455.73	K	Joback Calculated Property
Vc	0.938	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[756.67; 845.91]	J/mol×K	[761.09; 955.61]
Cp,gas	756.67	J/mol×K	761.09	Joback Calculated Property
Cp,gas	774.08	J/mol×K	793.51	Joback Calculated Property
Cp,gas	790.43	J/mol×K	825.93	Joback Calculated Property
Cp,gas	805.75	J/mol×K	858.35	Joback Calculated Property
Cp,gas	820.09	J/mol×K	890.77	Joback Calculated Property
Cp,gas	833.46	J/mol×K	923.19	Joback Calculated Property
Cp,gas	845.91	J/mol×K	955.61	Joback Calculated Property

Similar Compounds

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

Sources

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

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