Chemical Properties of Benzoylprop-ethyl (CAS 22212-55-1)

InChI

InChI=1S/C18H17Cl2NO3/c1-3-24-18(23)12(2)21(14-9-10-15(19)16(20)11-14)17(22)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3

InChI Key

SLCGUGMPSUYJAY-UHFFFAOYSA-N

Formula

C18H17Cl2NO3

SMILES

CCOC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1

Molecular Weight¹

366.24

CAS

22212-55-1

Other Names

• DL-Alanine, N-benzoyl-N-(3,4-dichlorophenyl)-, ethyl ester
• Alanine, N-benzoyl-N-(3,4-dichlorophenyl)-, ethyl ester, DL-
• Endaven
• Ethyl 2-(N-benzoyl-3,4-dichloroanilino)propionate
• Ethyl 2-[benzoyl(3,4-dichlorophenyl)amino]propionate
• Ethyl 2-[N-(3,4-dichlorophenyl)benzamido]propionate
• FX 2182
• Suffix
• Propionic acid, 2-(N-benzoyl-N-(3,4-dichlorophenyl))amino-, ethyl ester
• N-Benzoyl-N-(3,4-dichlorophenyl)-dl-alanine ethyl ester
• Ethyl N-benzoyl-N-(3,4-dichlorophenyl)-2-aminopropionate
• SD 30,053
• Suffix 25
• Alanine, N-benzoyl-N-(3,4-dichlorophenyl)-, ethyl ester
• Propionic acid, 2-(N-benzoyl-N-(3,4-dichlorophenyl))amino-, ethyl ester, (.+/-.)-
• ethyl N-benzoyl-N-(3,4-dichlorophenyl)-DL-alaninate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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_c : Critical 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 Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[337.18; 757.07]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-6.50900e+00
Coefficient B			1.49764e+00
Coefficient C			-9.27020e-04
Coefficient D			1.92960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	337.18	J/mol×K	273.00	Calculated Property
Cp,gas	415.84	J/mol×K	353.78	Calculated Property
Cp,gas	485.08	J/mol×K	434.56	Calculated Property
Cp,gas	545.50	J/mol×K	515.33	Calculated Property
Cp,gas	597.71	J/mol×K	596.11	Calculated Property
Cp,gas	642.33	J/mol×K	676.89	Calculated Property
Cp,gas	679.97	J/mol×K	757.67	Calculated Property
Cp,gas	711.23	J/mol×K	838.44	Calculated Property
Cp,gas	736.73	J/mol×K	919.22	Calculated Property
Cp,gas	757.07	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzoylprop-ethyl.

Sources

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

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