- InChI
- InChI=1S/C8H6Cl3NO/c1-4(13)12-8-3-6(10)5(9)2-7(8)11/h2-3H,1H3,(H,12,13)
- InChI Key
- VUSLTUGEJURGLB-UHFFFAOYSA-N
- Formula
- C8H6Cl3NO
- SMILES
- CC(=O)Nc1cc(Cl)c(Cl)cc1Cl
- Molecular Weight1
- 238.50
- CAS
- 23627-24-9
- Other Names
-
- 2,4,5-Trichloroacetanilide
- Acetamide, N-(2,4,5-trichlorophenyl)-
- N-(2,4,5-trichlorophenyl)acetamide
- 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).
- 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° | 24.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -112.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.00 | kJ/mol | Joback Calculated Property |
| log10WS | -3.73 | Crippen Calculated Property | |
| logPoct/wat | 3.605 | Crippen Calculated Property | |
| McVol | 148.090 | ml/mol | McGowan Calculated Property |
| Pc | 3322.01 | kPa | Joback Calculated Property |
| Tboil | 640.39 | K | Joback Calculated Property |
| Tc | 878.08 | K | Joback Calculated Property |
| Tfus | 436.25 | K | Joback Calculated Property |
| Vc | 0.564 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [297.89; 340.74] | J/mol×K | [640.39; 878.08] | 
|
| Cp,gas | 297.89 | J/mol×K | 640.39 | Joback Calculated Property |
| Cp,gas | 306.55 | J/mol×K | 680.00 | Joback Calculated Property |
| Cp,gas | 314.57 | J/mol×K | 719.62 | Joback Calculated Property |
| Cp,gas | 321.98 | J/mol×K | 759.23 | Joback Calculated Property |
| Cp,gas | 328.79 | J/mol×K | 798.85 | Joback Calculated Property |
| Cp,gas | 335.04 | J/mol×K | 838.46 | Joback Calculated Property |
| Cp,gas | 340.74 | J/mol×K | 878.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2',4',5'-Trichloroacetanilide.
Sources
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