Chemical Properties of D-Alanine, N-(3-chloro-2-fluorobenzoyl)-, octadecyl ester

InChI

InChI=1S/C28H45ClFNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-34-28(33)23(2)31-27(32)24-20-19-21-25(29)26(24)30/h19-21,23H,3-18,22H2,1-2H3,(H,31,32)

InChI Key

GAIRTYDLSHPJBM-UHFFFAOYSA-N

Formula

C28H45ClFNO3

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1cccc(Cl)c1F

Molecular Weight¹

498.11

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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_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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[1432.37; 1510.65]	J/mol×K	[1093.27; 1353.36]
Cp,gas	1432.37	J/mol×K	1093.27	Joback Calculated Property
Cp,gas	1449.58	J/mol×K	1136.62	Joback Calculated Property
Cp,gas	1464.96	J/mol×K	1179.97	Joback Calculated Property
Cp,gas	1478.64	J/mol×K	1223.31	Joback Calculated Property
Cp,gas	1490.73	J/mol×K	1266.66	Joback Calculated Property
Cp,gas	1501.36	J/mol×K	1310.01	Joback Calculated Property
Cp,gas	1510.65	J/mol×K	1353.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to D-Alanine, N-(3-chloro-2-fluorobenzoyl)-, octadecyl ester.

Sources

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

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