- 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)c1
ccc(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
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 27.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -291.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.87 | kJ/mol | Joback Calculated Property |
| log10WS | -5.37 | Crippen Calculated Property | |
| logPoct/wat | 4.592 | Crippen Calculated Property | |
| McVol | 260.430 | ml/mol | McGowan Calculated Property |
| Pc | 1935.54 | kPa | Joback Calculated Property |
| Tboil | 891.58 | K | Joback Calculated Property |
| Tc | 1129.42 | K | Joback Calculated Property |
| Tfus | 343.27 ± 0.20 | K | NIST |
| Vc | 0.968 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [726.73; 781.85] | J/mol×K | [891.58; 1129.42] | 
|
| Cp,gas | 726.73 | J/mol×K | 891.58 | Joback Calculated Property |
| Cp,gas | 738.61 | J/mol×K | 931.22 | Joback Calculated Property |
| Cp,gas | 749.31 | J/mol×K | 970.86 | Joback Calculated Property |
| Cp,gas | 758.92 | J/mol×K | 1010.50 | Joback Calculated Property |
| Cp,gas | 767.50 | J/mol×K | 1050.14 | Joback Calculated Property |
| Cp,gas | 775.12 | J/mol×K | 1089.78 | Joback Calculated Property |
| Cp,gas | 781.85 | J/mol×K | 1129.42 | Joback Calculated Property |
| ΔfusH | 27.06 | kJ/mol | 341.70 | NIST |
Similar Compounds
Find more compounds similar to Benzoylprop-ethyl.
Sources
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