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

InChI

InChI=1S/C27H43ClFNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-33-27(32)22(2)30-26(31)23-19-18-20-24(28)25(23)29/h18-20,22H,3-17,21H2,1-2H3,(H,30,31)

InChI Key

SJGGQYJKHJDRDW-UHFFFAOYSA-N

Formula

C27H43ClFNO3

SMILES

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

Molecular Weight¹

484.09

• 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	[1369.47; 1446.49]	J/mol×K	[1070.39; 1319.77]
Cp,gas	1369.47	J/mol×K	1070.39	Joback Calculated Property
Cp,gas	1386.19	J/mol×K	1111.95	Joback Calculated Property
Cp,gas	1401.23	J/mol×K	1153.52	Joback Calculated Property
Cp,gas	1414.68	J/mol×K	1195.08	Joback Calculated Property
Cp,gas	1426.63	J/mol×K	1236.64	Joback Calculated Property
Cp,gas	1437.20	J/mol×K	1278.20	Joback Calculated Property
Cp,gas	1446.49	J/mol×K	1319.77	Joback Calculated Property

Similar Compounds

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

Sources

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

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