- InChI
- InChI=1S/C8H5Cl4NO/c9-5-1-3-6(4-2-5)13-7(14)8(10,11)12/h1-4H,(H,13,14)
- InChI Key
- CWUXLDOMGYBJFB-UHFFFAOYSA-N
- Formula
- C8H5Cl4NO
- SMILES
- O=C(Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl
- Molecular Weight1
- 272.94
- CAS
- 2877-13-6
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4574 | Relay (... Calculated Property | |
| ΔfG° | 34.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -163.76 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 26.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.29 | kJ/mol | Relay (... Calculated Property |
| IE | 8.63 | eV | Relay (... Calculated Property |
| log10WS | -4.21 | Relay (... Calculated Property | |
| logPoct/wat | 3.649 | Crippen Calculated Property | |
| McVol | 160.330 | ml/mol | McGowan Calculated Property |
| Pc | 3368.44 | kPa | Joback Calculated Property |
| Tboil | 583.34 | K | Relay (... Calculated Property |
| Tc | 854.42 | K | Relay (... Calculated Property |
| Tfus | 378.53 | K | Relay (... Calculated Property |
| Vc | 0.542 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [324.54; 362.90] | J/mol×K | [664.63; 918.20] | 
|
| Cp,gas | 324.54 | J/mol×K | 664.63 | Joback Calculated Property |
| Cp,gas | 332.85 | J/mol×K | 706.89 | Joback Calculated Property |
| Cp,gas | 340.28 | J/mol×K | 749.15 | Joback Calculated Property |
| Cp,gas | 346.91 | J/mol×K | 791.41 | Joback Calculated Property |
| Cp,gas | 352.83 | J/mol×K | 833.67 | Joback Calculated Property |
| Cp,gas | 358.13 | J/mol×K | 875.94 | Joback Calculated Property |
| Cp,gas | 362.90 | J/mol×K | 918.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Alpha,alpha,alpha-p-tetrachloroacetanilide.
Sources
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