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

InChI

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

InChI Key

GHQRLSXSUSRJEH-UHFFFAOYSA-N

Formula

C13H23NO3

SMILES

CCCOC(=O)CCNC(=O)C1CCCCC1

Molecular Weight¹

241.33

• 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°	-190.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-561.24	kJ/mol	Joback Calculated Property
ΔfusH°	30.75	kJ/mol	Joback Calculated Property
ΔvapH°	67.30	kJ/mol	Joback Calculated Property
log10WS	-2.74		Crippen Calculated Property
logPoct/wat	2.026		Crippen Calculated Property
McVol	202.160	ml/mol	McGowan Calculated Property
Pc	2185.64	kPa	Joback Calculated Property
Inp	[1935.00; 1935.00]
Inp	1935.00		NIST
Inp	1935.00		NIST
Tboil	696.72	K	Joback Calculated Property
Tc	900.83	K	Joback Calculated Property
Tfus	418.40	K	Joback Calculated Property
Vc	0.761	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[590.77; 678.70]	J/mol×K	[696.72; 900.83]
Cp,gas	590.77	J/mol×K	696.72	Joback Calculated Property
Cp,gas	608.05	J/mol×K	730.74	Joback Calculated Property
Cp,gas	624.25	J/mol×K	764.76	Joback Calculated Property
Cp,gas	639.39	J/mol×K	798.78	Joback Calculated Property
Cp,gas	653.50	J/mol×K	832.80	Joback Calculated Property
Cp,gas	666.59	J/mol×K	866.81	Joback Calculated Property
Cp,gas	678.70	J/mol×K	900.83	Joback Calculated Property

Similar Compounds

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

Sources

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

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