Chemical Properties of «beta»-Alanine, N-cyclohexylcarbonyl-, pentyl ester

InChI

InChI=1S/C15H27NO3/c1-2-3-7-12-19-14(17)10-11-16-15(18)13-8-5-4-6-9-13/h13H,2-12H2,1H3,(H,16,18)

InChI Key

VZQAAACBNFTVGM-UHFFFAOYSA-N

Formula

C15H27NO3

SMILES

CCCCCOC(=O)CCNC(=O)C1CCCCC1

Molecular Weight¹

269.38

• 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°	-173.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-602.52	kJ/mol	Joback Calculated Property
ΔfusH°	35.93	kJ/mol	Joback Calculated Property
ΔvapH°	71.75	kJ/mol	Joback Calculated Property
log10WS	-3.58		Crippen Calculated Property
logPoct/wat	2.806		Crippen Calculated Property
McVol	230.340	ml/mol	McGowan Calculated Property
Pc	1840.41	kPa	Joback Calculated Property
Inp	[2141.00; 2141.00]
Inp	2141.00		NIST
Inp	2141.00		NIST
Tboil	742.48	K	Joback Calculated Property
Tc	942.55	K	Joback Calculated Property
Tfus	440.94	K	Joback Calculated Property
Vc	0.874	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[702.77; 792.75]	J/mol×K	[742.48; 942.55]
Cp,gas	702.77	J/mol×K	742.48	Joback Calculated Property
Cp,gas	720.50	J/mol×K	775.82	Joback Calculated Property
Cp,gas	737.10	J/mol×K	809.17	Joback Calculated Property
Cp,gas	752.61	J/mol×K	842.51	Joback Calculated Property
Cp,gas	767.03	J/mol×K	875.86	Joback Calculated Property
Cp,gas	780.40	J/mol×K	909.20	Joback Calculated Property
Cp,gas	792.75	J/mol×K	942.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, N-cyclohexylcarbonyl-, pentyl ester.

Sources

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

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