- InChI
- InChI=1S/C8H3Cl6NO/c9-3-1-5(11)6(2-4(3)10)15-7(16)8(12,13)14/h1-2H,(H,15,16)
- InChI Key
- KTEQMHWNTSFTSS-UHFFFAOYSA-N
- Formula
- C8H3Cl6NO
- SMILES
-
O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(Cl)(
Cl)Cl - Molecular Weight1
- 341.83
- CAS
- 33560-57-5
- 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° | -8.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -168.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.86 | kJ/mol | Joback Calculated Property |
| log10WS | -5.29 | Crippen Calculated Property | |
| logPoct/wat | 4.956 | Crippen Calculated Property | |
| McVol | 184.810 | ml/mol | McGowan Calculated Property |
| Pc | 2995.87 | kPa | Joback Calculated Property |
| Tboil | 749.45 | K | Joback Calculated Property |
| Tc | 1008.70 | K | Joback Calculated Property |
| Tfus | 528.43 | K | Joback Calculated Property |
| Vc | 0.700 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [354.72; 382.07] | J/mol×K | [749.45; 1008.70] | 
|
| Cp,gas | 354.72 | J/mol×K | 749.45 | Joback Calculated Property |
| Cp,gas | 360.70 | J/mol×K | 792.66 | Joback Calculated Property |
| Cp,gas | 366.00 | J/mol×K | 835.87 | Joback Calculated Property |
| Cp,gas | 370.71 | J/mol×K | 879.08 | Joback Calculated Property |
| Cp,gas | 374.91 | J/mol×K | 922.28 | Joback Calculated Property |
| Cp,gas | 378.67 | J/mol×K | 965.49 | Joback Calculated Property |
| Cp,gas | 382.07 | J/mol×K | 1008.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Alpha,alpha,alpha,2,4,5-hexachloroacetanilide.
Sources
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