Chemical Properties of «beta»-Alanine, N-(2-chlorobenzoyl)-, tetradecyl ester

InChI

InChI=1S/C24H38ClNO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-29-23(27)18-19-26-24(28)21-16-13-14-17-22(21)25/h13-14,16-17H,2-12,15,18-20H2,1H3,(H,26,28)

InChI Key

WGEPOKJCBMIFIN-UHFFFAOYSA-N

Formula

C24H38ClNO3

SMILES

CCCCCCCCCCCCCCOC(=O)CCNC(=O)c1ccccc1Cl

Molecular Weight¹

424.02

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1176.73; 1253.21]	J/mol×K	[997.94; 1221.89]
Cp,gas	1176.73	J/mol×K	997.94	Joback Calculated Property
Cp,gas	1192.58	J/mol×K	1035.26	Joback Calculated Property
Cp,gas	1207.10	J/mol×K	1072.59	Joback Calculated Property
Cp,gas	1220.35	J/mol×K	1109.91	Joback Calculated Property
Cp,gas	1232.40	J/mol×K	1147.24	Joback Calculated Property
Cp,gas	1243.33	J/mol×K	1184.56	Joback Calculated Property
Cp,gas	1253.21	J/mol×K	1221.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, N-(2-chlorobenzoyl)-, tetradecyl ester.

Sources

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

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